ID	Compounds	Molecular weight (Da)	Formula	Class I	Class II	CAS	Level	A¡ÁE-F2-1	A¡ÁE-F2-2	A¡ÁE-F2-3	A¡ÁE-F2-5	A¡ÁE-F2-6	A¡ÁE-F2-7	A¡ÁE-F2-8	A¡ÁE-F2-12	A¡ÁE-F2-13	A¡ÁE-F2-15	A¡ÁE-F2-17	A¡ÁE-F2-18	A¡ÁE-F2-19	A¡ÁE-F2-20	A¡ÁE-F2-24	A¡ÁE-F2-26	A¡ÁE-F2-27	A¡ÁE-F2-28	A¡ÁE-F2-29	A¡ÁE-F2-31	A¡ÁE-F2-32	A¡ÁE-F2-34	A¡ÁE-F2-35	A¡ÁE-F2-36	A¡ÁE-F2-38	A¡ÁE-F2-39	A¡ÁE-F2-40	A¡ÁE-F2-41	A¡ÁE-F2-42	A¡ÁE-F2-43	A¡ÁE-F2-45	A¡ÁE-F2-46	A¡ÁE-F2-47	A¡ÁE-F2-49	A¡ÁE-F2-50	A¡ÁE-F2-51	A¡ÁE-F2-52	A¡ÁE-F2-53	A¡ÁE-F2-54	A¡ÁE-F2-55	A¡ÁE-F2-56	A¡ÁE-F2-57	A¡ÁE-F2-59	A¡ÁE-F2-60	A¡ÁE-F2-61	A¡ÁE-F2-62	A¡ÁE-F2-63	A¡ÁE-F2-65	A¡ÁE-F2-66	A¡ÁE-F2-67	A¡ÁE-F2-68	A¡ÁE-F2-69	A¡ÁE-F2-70	A¡ÁE-F2-71	A¡ÁE-F2-72	A¡ÁE-F2-73	A¡ÁE-F2-74	A¡ÁE-F2-76	A¡ÁE-F2-77	A¡ÁE-F2-78	A¡ÁE-F2-79	A¡ÁE-F2-80	A¡ÁE-F2-81	A¡ÁE-F2-82	A¡ÁE-F2-83	A¡ÁE-F2-84	A¡ÁE-F2-85	A¡ÁE-F2-86	A¡ÁE-F2-87	A¡ÁE-F2-88	A¡ÁE-F2-89	A¡ÁE-F2-90	A¡ÁE-F2-91	A¡ÁE-F2-92	A¡ÁE-F2-93	A¡ÁE-F2-95	A¡ÁE-F2-96	A¡ÁE-F2-97	A¡ÁE-F2-98	A¡ÁE-F2-99	A¡ÁE-F2-100	A¡ÁE-F2-101	A¡ÁE-F2-102	A¡ÁE-F2-104	A¡ÁE-F2-105	A¡ÁE-F2-107	A¡ÁE-F2-108	A¡ÁE-F2-109	A¡ÁE-F2-110	A¡ÁE-F2-111	A¡ÁE-F2-112	A¡ÁE-F2-113	A¡ÁE-F2-114	A¡ÁE-F2-115	A¡ÁE-F2-116	A¡ÁE-F2-119	A¡ÁE-F2-120	A¡ÁE-F2-121	A¡ÁE-F2-122	A¡ÁE-F2-123	A¡ÁE-F2-124	A¡ÁE-F2-125	A¡ÁE-F2-126	A¡ÁE-F2-127	A¡ÁE-F2-129	A¡ÁE-F2-130	A¡ÁE-F2-131	A¡ÁE-F2-132	A¡ÁE-F2-134	A¡ÁE-F2-135	A¡ÁE-F2-136	A¡ÁE-F2-137	A¡ÁE-F2-138	A¡ÁE-F2-139	A¡ÁE-F2-140	A¡ÁE-F2-141	A¡ÁE-F2-142	A¡ÁE-F2-143	A¡ÁE-F2-144	A¡ÁE-F2-145	A¡ÁE-F2-146	A¡ÁE-F2-147	A¡ÁE-F2-148	A¡ÁE-F2-149	A¡ÁE-F2-150	A¡ÁE-F2-151	A¡ÁE-F2-152	A¡ÁE-F2-153	A¡ÁE-F2-154	A¡ÁE-F2-155	A¡ÁE-F2-156	A¡ÁE-F2-157	A¡ÁE-F2-158	A¡ÁE-F2-159	A¡ÁE-F2-160	A¡ÁE-F2-161	A¡ÁE-F2-162	A¡ÁE-F2-163	A¡ÁE-F2-164	A¡ÁE-F2-165	A¡ÁE-F2-166	A¡ÁE-F2-167	A¡ÁE-F2-168	A¡ÁE-F2-169	A¡ÁE-F2-170	A¡ÁE-F2-171	A¡ÁE-F2-172	A¡ÁE-F2-173	A¡ÁE-F2-174	A¡ÁE-F2-176	A¡ÁE-F2-177	A¡ÁE-F2-178	A¡ÁE-F2-179	A¡ÁE-F2-180	A¡ÁE-F2-181	A¡ÁE-F2-185	A¡ÁE-F2-187	A¡ÁE-F2-188	A¡ÁE-F2-189	A¡ÁE-F2-190	A¡ÁE-F2-191	A¡ÁE-F2-192	A¡ÁE-F2-193	A¡ÁE-F2-194	A¡ÁE-F2-195	A¡ÁE-F2-196	A¡ÁE-F2-197	A¡ÁE-F2-199	A¡ÁE-F2-200	A¡ÁE-F2-201	A¡ÁE-F2-202	A¡ÁE-F2-203	A¡ÁE-F2-204	A¡ÁE-F2-206	A¡ÁE-F2-207	A¡ÁE-F2-208	A¡ÁE-F2-210	A¡ÁE-F2-211	A¡ÁE-F2-213	A¡ÁE-F2-214	A¡ÁE-F2-215	A¡ÁE-F2-216	A¡ÁE-F2-219	A¡ÁE-F2-220	A¡ÁE-F2-221	A¡ÁE-F2-222	A¡ÁE-F2-223	A¡ÁE-F2-224	A¡ÁE-F2-225	A¡ÁE-F2-226	A¡ÁE-F2-227	A¡ÁE-F2-228	A¡ÁE-F2-229	A¡ÁE-F2-231	A¡ÁE-F2-232	A¡ÁE-F2-233	A¡ÁE-F2-234	A¡ÁE-F2-235	A¡ÁE-F2-238	A¡ÁE-F2-239	A¡ÁE-F2-240	A¡ÁE-F2-241	A¡ÁE-F2-242	A¡ÁE-F2-243	A¡ÁE-F2-244	A¡ÁE-F2-246	A¡ÁE-F2-247	A¡ÁE-F2-248	A¡ÁE-F2-249	A¡ÁE-F2-250	A¡ÁE-F2-251	A¡ÁE-F2-252	A¡ÁE-F2-254	A¡ÁE-F2-255	A¡ÁE-F2-261
C1	(2E)-3-(4-Hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-propenamide	283.1188	C17H17NO3	Alkaloids	Alkaloids	-	1	8131.332167	7039.496	28759.01	62821.581	62519.47163	11434.6925	7068.761	NA	18451.51	11401.1112	NA	7566.7415	NA	141886.1232	NA	NA	10325.0095	14611.67213	2745.791	4892.43	NA	82227.123	180481.7232	9825.546	41206.92125	81482.60433	8147.0124	NA	5435.43	202396.3112	8688.1112	76956.3028	10902.5376	7608.7595	8709.44	13046.27737	30345.5845	60664.9155	18962.99883	NA	122238.8555	9234.30375	2246997.78	NA	23964.534	NA	62801.99362	23898.516	NA	41149.49363	NA	14685.97163	1647.694	NA	NA	20643.774	1616.37	NA	NA	20043.081	27736.6875	NA	15752.43	4881.556125	66622.33217	25461.99883	2731.7025	NA	NA	45500.58217	11422.1232	NA	7571.324	NA	21815.4525	3806.674	116122.9112	6483.24	19514.9028	16822.5105	13047.261	11270.8368	15184.92125	22203.55612	9724.6788	15762.2196	4916.046	43900.4028	8173.383333	13037.43	79922.66025	7080.71	36725.4	94513.52625	57503.7605	24920.0992	NA	7047.081	18980.0052	29161.0788	80364.52287	24303.80883	14587.56	12509.3232	11434.6925	63460.59267	9757.1004	8671.581	NA	19543.7124	NA	5385.7295	142292.1501	9222.692375	NA	14134.2785	18399.48575	11428.352	11401.1112	11422.1232	10776.462	6510.504	5447.9425	NA	55884.01	NA	3263.174	4909.36	14683.7232	12007.546	8167.616	6514.84	NA	8702.522	7098.046	15841.69556	NA	277993.7729	NA	728903.5927	44737.546	10870.93767	549.276	67411.53413	NA	17409.98556	41695.61975	9243.964875	NA	92160.28556	15670.4915	29280.08917	NA	53996.4788	103758.5899	87875.3088	32046.774	NA	NA	NA	2163.24	7614.402375	11923.9004	87702.36862	107406.0938	5971.423667	NA	11369.48444	5435.7595	163656.0037	13542.55613	15719.16667	7642.1448	NA	158565.774	129846.5285	45688.20889	77137.271	NA	11942.595	3803.926	11408.85083	3814.688	23920.522	42429.87667	7615.522	5977.8485	4915.1448	69393.95222	8779.291	66215.9124	8167.542222	NA	7604.3124	16855.92333	9213.081	9788.435	NA	227245.0353	18948.40967	14142.94467	1099.194	5987.944667	32589.774	13562.23	NA	8683.73	NA	8141.3415	NA	8691.3136	NA	NA	22799.9124	NA
C2	3-amino-2-naphthoic acid	187.0633	C11H9O2N	Alkaloids	Alkaloids	-	1	7290525.376	2862853.375	40024107.12	31828702.78	43670898.51	23389411.77	50978092.39	1280254.044	34034222.42	37743231.65	8779525.466	35522055	28154479.86	33281225.38	35327105.54	8604008.49	39862783.33	29552760.78	58966660.61	40058724.2	28012225.83	50590662.68	47278358.08	8599019.057	27162471.34	38456614.39	44436467.33	33347047.51	40442591.3	56658964.39	31195730.58	34559319.97	42554303.56	10093998.37	29131915.12	31432756.71	58814556.65	63573388.18	42122748.85	39125712.88	40879441.65	22284157.82	32833289.17	22453231.95	31410645.79	50898180.03	22549989.83	7822501.651	7127752.653	28901802.02	15685181.21	34579305.46	25080621.18	13266684.27	9760614.997	38342971.49	23963026.29	21603939.33	6371180.35	10472088.61	36956495.61	17209527.27	21588469.98	59410819.93	34078693.52	33362623.18	34886934.65	39306476.7	7368851.67	19101992.62	16704958.7	10396293.56	28038372.23	11089987.01	34568940.13	40520835.06	33697714.77	38201386.85	16464864.12	41685981.07	31559151.2	46173747.39	49950999.05	41870117.94	23243310.88	40948348.86	25773609.06	5046651.672	48118339.83	8073732.235	55611743.05	9237789.23	35942389.99	11449791.76	43873809.79	19167373	22156151.48	35005128.28	22769698.91	18479957.85	19835724.38	21730740.04	19642477.85	37693130.65	21129674.34	40637604.82	22899019.57	10370430.66	3628080.654	45674077.65	3637431.175	11371867.68	31066093.56	38703486.08	7683657.16	21232634.11	36143486.46	17083573.55	10807669.1	37105713.89	8022094.215	20772945.37	40789547.47	10293313.99	42889001.12	9977613.506	17554396.87	10393811.2	25259980.22	16677247.78	14279112.29	6444155.435	9277766.308	29820877.31	31823079.05	6888771.071	12235616.08	25645082.51	17237686.81	64777332.07	11441186.68	30250449.33	13866490.68	24365932.29	18574899.32	33280715.24	15054821.74	16756105.09	2949181.173	32273017.75	11051848.08	40670706.14	34910965.66	17573649.94	47614791.63	26028819	30544884.32	46197786.57	22516761.14	19175323.83	9446854.255	25351753.22	18850348.43	7614578.167	43580007.29	7479613.982	28051672.18	29395883.44	33159467.99	19648247.36	18575249.14	7030988.867	47724065.97	2910991.411	30390868.4	17756248.67	26999055.77	33502349.95	13194871.34	45418735.27	20865220.08	21232059.73	16610432.92	54993951.32	26752136.52	41165493.43	3513932.802	24462723.88	26462328.53	5226362.777	11774148.96	9398529.583	2023384.304	33403992.07	42824385.81	11180418.7	5484895.591	26364635.82	66536996.77	38728873.45	4467157.009	7589995.922	4001039.435	38197065.6	10847438.34	31448638.18	25426118.19	7176508.206	10406327.42	33917871.99	24300704.4	31164698.12	3696515.845	65137048.42	8769747.551
C3	Agmatine	130.1218	C5H14N4	Alkaloids	Alkaloids	306-60-5	3	46642.592	16038.9805	NA	79887.892	NA	28654.872	77473.9126	37285.1886	67905.00682	40318.44927	34158.712	35470.86267	22524.7175	NA	75884.16043	44849.67273	51199.36364	NA	85553.391	28462.2912	34186.119	40495.08864	39272.354	23711.47067	39118.051	31587.466	28512.35673	87521.057	60221.0854	26017.4229	35050.85455	69720.19773	30690.91591	16025.758	57851.424	35050.55745	90047.39091	NA	32996.48	45031.72727	18419.912	35049.51591	53869.3465	69193.3275	18200.45	NA	66104.988	27787.41364	34807.1552	39688.866	22873.473	24511.45125	33152.7175	31346.38571	96940.285	36539.062	35141.45125	44127.12836	32206.26757	NA	44682.769	24718.7055	29750.088	75754.19127	27553.9074	47126.04	NA	NA	31531.9475	62896.32133	48663.44773	43579.02436	29016.22	35411.2302	40123.67625	40177.7556	48498.27479	36223.05375	30301.166	22405.992	33050.3194	66130.55875	36214.91	89958.7798	60185.73125	30549.19507	42152.879	29555.38625	34891.226	44502.093	48832.89125	30430.11714	25046.2105	NA	70929.33833	41042.70073	53741.26145	54302.136	164303.742	18200.45	63089.74367	40657.61767	48300.27186	70986.54773	NA	42879.9945	39574.47	53427.717	25767.586	36729.958	42128.225	95301.276	33875.4215	80529.6845	21444.647	33776.47273	33411.43309	78249.98864	89787.802	33333.3935	40718.525	94403.31364	50310.98455	42796.88427	61805.4775	47009.526	20202.7574	48834.22	35141.45125	38380.484	140062.4113	36721.825	33790.424	NA	46826.736	37297.6375	54289.73636	50293.16836	33874.093	47388.52473	57943.71891	37475.6565	119712.556	49305.52	42066.16875	18113.923	NA	NA	38006.5812	82062.425	53149.2995	69357.42727	51927.53236	57360.72729	42964.1968	30991.248	53337.35375	39278.431	19641.8725	73447.73	23786.7925	36681.31364	40027.8046	50634.67625	37096.892	91865.25909	43961.3935	44682.769	29331.40571	32080.21143	32259.3925	84306.16857	29808.7728	32871.55455	27574.22	37588.90909	70142.616	80423.538	37590.24773	70876.484	68458.9335	103786.7428	53688.6705	70142.616	NA	84671.9475	NA	123000.8528	NA	36755.6095	29189.802	96752.4252	53198.74773	92589.46136	33550.58	43216.53636	35697.22987	NA	38120.59029	22889.0475	NA	70442.384	22221.2732	64887.59271	22528.95625	39817.802	23966.14	44250.3068	73447.73	53698.77375	38349.69318	105113.7432	NA	47384.938	28598.8844
C4	Azetidine-2-carboxylic acid	101.0477	C4H7NO2	Alkaloids	Alkaloids	2517-04-6	1	423912.1125	358540.1138	256102.1137	352480.1049	483038.9	303764.2388	316513.3625	235111.4216	391026.9825	308968.898	721857.53	342829.6125	416705.03	289810.5204	533773.9	339868.9	448300.7325	535163.9	646095.53	585720.14	446126.898	386904.5537	763152.0272	256229.1884	466684.8992	529626.5884	919979.356	348368.0775	412897.898	1054411.76	855004.1049	390940.8038	681224.4756	659391.1037	501854.4908	855763.356	760016.5818	568146.6549	528903.14	516978.5844	293299.6188	336387.5884	299777.898	679012.2511	461564.4733	893921.1277	1097774.584	391687.898	398050.898	446309.3678	398434.4733	428966.2388	815220.9549	432795.9003	1176634.764	529646.53	505959.4594	515616.53	415888.3896	584363.53	690235.3622	790184.927	948518.0537	680469.03	414360.7325	426625.3896	691084.8571	589975.53	405094.7884	746123.9049	759981.6548	412897.898	269368.6956	784389.7207	556883.9757	327187.175	442660.53	461637.5867	477517.0678	456654.3622	811649.53	375087.7896	675630.9549	452481.53	646363.356	561628.7537	479897.4411	399480.7908	401394.1071	728814.8067	418809.53	647929.1309	1078183.175	340916.0289	666653.1071	376929.7337	822269.0526	461898.5693	578269.1537	452394.1896	478809.0549	434242.53	444154.4011	542932.0289	381849.7968	485693.7171	428828.9	657587.3571	408956.14	454380.8049	788698.8549	505292.7884	768307.4909	850216.0844	804301.2537	633418.3622	355853.9	697821.8582	659578.1049	892955.3588	335003.9	701933.5389	606577.356	334460.3158	1076350.984	296047.03	463823.6137	325936.898	635908.9059	354973.03	608833.9	328251.4288	343343.9	329510.7325	556081.9537	349267.898	625001.0289	353542.0289	847326.6549	579355.356	590677.03	587123.0289	450193.1049	453190.1233	499175.5411	515616.53	512769.9178	325936.898	370792.9896	992262.448	494202.898	1232701.903	726529.2538	596989.6037	883620.0549	916102.54	481243.03	788698.8549	1096198.812	580108.5844	398466.03	438451.53	889770.2673	584643.9287	634068.1107	507404.4567	512769.9178	725307.5844	464407.03	341490.898	573094.14	444800.2533	514213.53	414567.6956	512068.4733	1268816.404	499442.4733	424368.9549	456628.9	524873.7549	502949.6956	540169.03	489253.898	495935.2511	445307.4549	867567.2049	845956.0289	894089.3049	564676.8067	709230.53	342828.8884	882858.8538	553453.6956	631023.4544	1159798.06	930382.7049	485253.1884	642827.3049	563958.9549	521421.356	584592.0526	1004734.812	1012198.362	490018.6492	1017890.53	546439.2511	575899.9178	1132788.205	460973.898	628868.3049	428772.7896	529604.5844	1173810.67	533111.8067	914329.8549
C5	Cannabisin D	624.2472	C36H36N2O8	Alkaloids	Alkaloids	-	1	172120.464	173579.8389	457944.48	487952.19	97680.03617	110924.0656	133908.979	162213.1123	143313.5209	202346.8125	123475.2799	114957.403	212494.2327	204532.185	71870.49164	249134.479	129752.6785	273157.794	37020.225	189080.8303	102597.9879	315137.3252	421603.7715	264155.7011	132537.4808	347805.048	105532.5483	133483.077	121604.1721	227249.2702	104284.5971	65904.4875	376036.0495	194508.4125	216207.1875	407109.9764	148807.1256	309751.8225	376907.2612	68154.75	253056.5545	58422.60667	462018.825	289080.6536	219401.8875	203660.79	199725.7818	171344.39	330177.3763	138425.3943	112717.5375	103493.5371	128176.4503	176028.1201	52979.14575	195741.7875	166178.0139	88105.58743	136790.016	154083.9	334361.7606	88560.777	107563.2375	59816.61071	238299.4053	97186.5	69348.35629	97069.94	80576.076	366728.1	117304.0606	102794.237	71738.67886	63139.13625	40062.493	124613.07	166225.5155	122123.8095	173282.736	113076.9577	147552.1875	108491.0869	65481.576	168309.1125	153412.5852	449743.0883	157200.7394	299923.7389	189444.8914	172808.775	224626.9125	112204.461	257903.3094	288431.503	110042.3706	91899.75438	294527.1271	193737.8114	272089.2743	257449.085	270856.9125	233442.7149	362996.3647	101362.6733	117515.5361	158896.3876	302717.4057	200488.7146	103950.6256	189936.3	199254.2983	125374.0596	120844.0125	163355.7699	227953.1827	151109.1375	289940.695	231328.4553	123966.2625	91973.0775	176568.5554	142909.6006	87069.41471	112715.8125	139007.8992	111766.9156	85456.81	170514.3694	113297.1375	218059.3387	264980.4025	116788.3114	136909.136	122901.324	107606.8657	208754.775	114459.6359	378519.7463	185357.445	152166.6862	211140.8819	173051.0155	77648.55583	106194.51	267300.3488	172148.1818	249516.9135	113973.7422	63898.32091	499092.6306	348792.3454	381007.1332	75105.42955	141269.592	90536.38958	141562.4618	165275.9542	255552.3858	228220.2851	179108.6535	52709.24218	135500.5196	473222.7131	220185.845	249412.9055	237918.0857	357439.7487	155467.8225	394874.9729	430593.9385	134142.1755	247255.99	123387.7651	140141.287	169478.982	200046.3238	202966.8538	601850.6375	168877.1916	421905.4332	484039.6015	199168.1358	154605.4631	204083.1975	155932.2653	148822.3075	111795	287277.0056	484733.4914	145446.6218	210191.4888	112651.3646	82639.13891	155148.23	312180.96	322883.1425	161201.0473	110723.3059	227902.3522	241358.7169	184836.5438	140595.5838	189731.0877	190342.776	209528.5768	281812.0433	137754.8451	251389.4124	106212.3775	106310.5684	193155.2856	128161.6044	375675.2727	299000.2275	177808.5483
C6	Choline	104.107	C5H14NO+	Alkaloids	Alkaloids	62-49-7	3	31883790.7	40508090.52	49266175.6	37421316.65	41267031.72	39580913.76	32837624.69	33379922.98	28400085.52	29221662.27	37380538.86	35965821.82	31287747.81	27900718.74	30933507.59	36356309.82	30473593.97	28547611.62	38773574.47	25043550.65	40125531.44	29795400.14	48883391.66	37293549.76	18784899.14	25147398.53	38739317.46	30900462.37	34085213.63	32295401.46	47574079.9	37933457.22	33426077.83	35475071.84	22773684.85	25656838.76	41119830.48	23941857.18	31583007.89	38026634.73	20834662.23	32573445.55	21372616.05	21040009.63	29079914.64	26408851.74	23350143.34	29413591.6	26863142.23	25812941.33	33472460.6	26139711.38	42657602.46	36957232.13	32369635.13	27940386.86	23584555.14	25976828.73	31255435.7	47017968.02	27643467.97	44082183.54	34032616.17	34507267.5	32900094.7	30770503.53	53613356.17	39188049.06	29836540.8	38467172.58	39347765.82	32647639.74	35880855.25	41913817.35	45319181.91	21514074.21	43265698.21	39439686.92	25624047.37	37873449.27	42031269.94	40295046.48	32131774.58	35475366.36	29367666.73	39236361.25	32784927.1	24720420.41	39679694.67	25782147.37	23204357.95	32680897.8	27032619.31	48424682.11	46091073.29	33101365.26	30424988.01	28349548.25	35335898.22	34256105.06	32840432.98	38364428.22	25789371.98	31549500.24	44331263.79	25473409.94	21140145.69	28430216.34	44790936.72	33969323.92	28834599.43	21150868.23	22093995.6	29233649.8	23481458.99	34595492.51	44296966.26	32571314.48	31855787.66	30409492.15	30945435.58	39848376.04	48914960.89	33799204.2	28337827.27	40403219.95	37745897.61	28735910.54	36978355.32	37579091.95	25994473.12	37432676.04	44615947.98	42814972.25	48744292.44	24039990.96	26254251.4	36417836.22	40983045.9	42925791.55	40731332.11	30348790.1	32910133.92	33653042.46	40510278.43	37184238.11	33392390.33	45009316.09	36428304.13	33785506.6	37905494.28	38591754.59	50168564.32	29589094.75	35362077.92	36560679.92	30051575.55	36720465.32	22047207.93	27783125.75	38476257.94	39237084.95	25876961.87	34970926.61	28414320.63	31403320.37	32664692.28	24148267.33	28058660.85	26097779.89	30574234.53	29140042.33	36562872.17	37662022.32	34779000.19	32374458.07	30048691.94	38488256.83	21956220.7	29812916.47	24554034.24	35355142.84	26583845.01	40528151.84	37076318.18	25617850.08	32437089.08	27116524.18	26282228.49	31421436.3	44599443.2	37685519.37	24399787.31	33661522.64	21854342.24	28704605.57	29725796.95	39311576.67	23153696.44	34558268.23	26643877.07	27137971.4	30949648.23	25936312.25	30765465.07	30340077.46	42892906.14	25090155.1	24825795.8	40997309.6	32318037.03	23188381.44	46888590.6	23546078.26	25760573.13
C7	Diethanolamine	105.079	C4H11NO2	Alkaloids	Alkaloids	111-42-2	3	57717.28	59621.55782	66798.7182	NA	94388.58864	93558.78571	69477.5616	63805.57143	93307.8752	75071.0472	90004.55455	NA	80234.925	59997.7084	93024.5718	107838.2944	NA	86000.145	141433.8589	83366.946	123541.809	91756.82955	NA	46402.8488	82158.0606	100627.4696	72963.6904	96392.7273	89126.40909	117197.3905	132368.3795	117469.3568	85327.35909	91612.9998	70639.7325	109010.2986	NA	90867.60364	NA	75689.17727	90155.978	77905.258	80801.34036	98999.3326	73884.9888	98541.0632	84160.06818	106492.62	95050.9396	87212.8571	110163.0795	111878.7709	133414.3356	78613.8122	122079.7564	111045.1362	147719.7575	117477.3344	154289.6569	100481.7436	103882.7891	106119.4456	112199.2844	116056.9311	88841.958	96138.18636	112483.4807	134705.6386	88833.24773	79794.3258	86205.50455	139369.3527	109343.7184	99068.49564	94063.3887	96105.8958	95891.59673	105501.634	93095.5179	86011.496	107273.7582	125083.1051	108128.5832	67377.7101	93098.2257	101364.4212	86638.30764	111924.2936	83875.27982	122341.5522	71893.67073	82156.7068	100814.0432	NA	NA	70641.0864	69152.4108	77741.5892	154284.5341	119675.2022	121567.1462	84750.80745	92930.43109	107827.1591	80532.762	81536.52327	63839.7928	89416.17491	109863.7953	88834.58636	84295.6064	74706.7548	97309.49318	72388.5486	86621.9116	89251.9726	NA	110453.5636	NA	121264.3909	84880.1788	87502.0119	115752.3573	75661.3476	137635.8896	71014.65909	106683.5014	64725.178	90707.5662	104319.9318	87959.11818	77614.9692	NA	87773.623	70637.3852	77033.06	97893.13864	86200.98873	118352.862	71885.24509	123066.7915	108416.8282	112788.3315	82553.8736	109092.1566	71893.67073	71491.02133	71783.465	104650.3128	93511.78182	72405.2854	85705.0166	120045.0716	98186.3	136901.796	131208.66	78315.9762	91179.37582	91759.50682	106680.7938	82114.63182	85328.69773	87179.3048	81867.6252	93215.94318	74177.4096	94760.6508	127692.5227	74185.5966	54484.632	86891.9481	93989.264	79200.44418	92203.2566	85409.8882	133828.8318	118913.9355	105487.2227	76837.6266	85036.875	80976.1932	128575.8573	101443.9512	91317.8714	122961.1878	99303.1494	100181.2	117165.5607	94263.5458	104148.18	83715.0288	123535.1952	144054.675	104023.2844	115760.2155	138003.6644	112792.1614	136459.2523	126668.6695	93223.61236	99295.8148	159831.8432	108693.9065	96339.1156	104319.7666	80082.1846	90127.9923	118510.9287	83576.42273	116295.3727	107959.625	98112.5936	134161.58	95261.37955	124115.7728
C8	DL-2-Aminoadipic acid	161.0688	C6H11NO4	Alkaloids	Alkaloids	542-32-5	3	69232.37333	102992.7746	95931.56778	80038.15075	59857.77575	25616.61375	68904.15075	62646.90187	174136.8855	50417.60133	62568.90111	98826.77575	67518.46437	43513.8204	38601.9204	57074.27575	51941.6216	86301.02575	50727.67875	75862.90075	41768.77688	178156.5258	NA	38414.6125	40783.28625	115527.7758	70295.90075	64342.656	47616.93467	180292.7166	67428.9	146855.3394	219001.2228	112280.4204	409859.6216	114136.0258	233826.5258	91944.2216	101601.1496	170486.5871	144793.5291	50505.8625	72283.5204	73775.27575	30181.5204	67937.936	57770.15075	35093.4204	46529.0884	103231.8264	64648.9	127736.0216	40369.64963	78646.40075	48723.77575	51937.48875	49122.92	62641.27575	48682.9896	44626.619	60127.3884	71030.0325	108771.9204	35364.06583	54409.3896	63161.4204	45948.528	141772.0216	58470.61512	65418.89963	67626.67762	57980.2884	120398.9008	37900.2204	36211.9625	66968.61556	53590.08713	109620.7337	42116.4216	320685.3204	853851.1508	57556.0216	98826.77575	127016.1204	53533.17889	385241.7204	99048.67888	66822.52688	290512.2204	78587.6192	73781.90187	54249.55375	210862.6508	80734.02575	77171.23556	84236.4228	61244.02463	71700.528	79342.27575	111278.0363	48792.898	100218.5258	100227.5269	149625.6508	64679.90667	48719.39963	139187.5258	57272.5896	59852.39962	72293.9	52899.02575	69476.7204	52541.9125	60553.65075	47015.6192	66669.9204	188765.7204	42950.5884	52203.15075	51232.5204	54741.0204	50748.9	123042.3992	67512.40075	66822.52688	20852.78	91868.02575	62563.9	70308.528	114698.0678	60553.65075	66120.65075	44384.36513	105965.1204	124209.3204	65424.77575	66038.9	103874.8216	179643.6204	311764.5258	88388.65075	38601.9204	421790.2216	53599.71438	241068.8336	55833.1884	57547.8204	59156.58713	74399.2216	283233.6508	85597.46212	132216.8996	157868.4192	64723.08712	75068.58444	134754.0216	109190.8037	75101.0216	139646.7204	48063.02057	32993.0216	70872.7896	63714.7896	41768.77688	344543.1204	103860.0204	110646.7121	73775.27575	37905.6216	60583.55262	79203.2325	19233.1205	234409.6216	74688.3625	40373.27575	157280.2758	97912.11512	70718.2325	76558.77575	99522.65075	233130.6508	46648.71662	42234.8884	25404.619	44388.1896	105089.6508	120199.898	53748.2325	187648.8989	102306.1508	41408.7204	37900.2204	99696.898	204203.1204	108771.9204	82125.77575	111352.5258	87355.17875	389006.6508	51448.01222	43852.65075	92448.9	88384.898	326377.9007	80311.42875	61287.86512	77779.898	44215.5204	89124.3204	70443.92763	143362.7758	110656.6508	58398.56778	112744.2758	66120.65075
C9	Histidinol	141.0902	C6H11N3O	Alkaloids	Alkaloids	501-28-0	3	19010894.61	21637509.8	21307019.91	20626992.05	21944109.7	18684175.87	20838829.66	20175111.19	18883501.54	18752921.1	17924756.24	19816580.91	18996124.24	19230981.16	19709866.75	18739345.03	19867164.42	18640420.98	18921192.57	19853554.73	21404950.35	18844094.2	20998078.43	19335702.24	20484144.5	19688468.25	20099921.97	19411714.6	20582698.03	19566039.94	17824287.63	16053150	19801039.66	19728209.1	19884452.12	17932922.04	22930786.91	18284198.2	19592227.63	18348169.74	18946133.14	16926243.71	17231621.81	15837752.93	16712329.59	19552635.41	19441826.54	15705550.31	18170382.91	17392711.87	17823351.17	20691044.84	16750638.9	19413899.39	17899979.3	19673216.19	18918772.27	18184807.56	17099850.03	18166304.81	21067719.17	18597614.82	19751783.66	20198269.82	20612402.64	19725753.47	21788766.26	20678788.88	19226047.48	19264090.47	17535844.12	19017891.56	16983294.98	18331440.69	18257755.96	18384064.22	20152164.89	19817159.07	17986373.41	21068290.73	20096176.39	19783571.24	22440198.05	20592163.09	20622401.71	22516736.35	19024909.97	19285958.85	21583953.05	19873309.25	20209785.27	20137208.72	24164593.36	22170980.91	22843730.62	20500682.29	21019596.15	21884216.11	20003313.58	19750175.62	21989574.93	22984653.18	16580832.56	19314621.01	19154647.45	17537356.12	18242879.19	21150568.4	19058061.23	20020695.73	19202232.63	19341771.33	20252869.38	19011392.82	18922122.31	17540115.76	18468918.68	19004322.02	17352233.4	20524200.41	20058644.41	20090304.51	19776125.55	18502215.65	19656591.15	18783020.05	18418701.59	16688241.82	19404588.82	17888837.73	16003501.81	16631159.67	19565946.73	16855808.19	18575748.43	19367987.2	18724292.39	19554523.49	21427670.95	20647176.67	18042912.44	18107831.49	17394736.83	18518300.34	19958928.91	17154069.37	18347219.51	17955654.19	17220948.25	20143275.35	20016347.94	19976112.42	18652924.68	17598582.79	20987340.3	22436428.19	19497628.66	21711214.18	18118387.33	20773520.53	18950551.15	17799372.9	17568195.95	18073389.01	18203492.22	18976119.23	19421280.48	18934204.88	19018431.54	18449704.96	20866568.02	21725070.93	20300798.84	20898969.49	18761319.99	20054293.52	18892642.86	21548558.23	18613308.67	19240740.47	20496312.96	21695810.88	21873099.24	21450825.72	18511856.23	21879057.86	19367170.16	19174826.36	21831633.35	18972610.47	23403520.79	19973731.2	19233697.41	22030544.09	18163003.47	17336064.32	20571633.44	21214660.69	21185396.55	20670813.57	20759241.23	18982431.63	18089298.05	21496143.52	20760495.67	21230213.96	20338206.36	20284282.24	19182865.26	20362237.95	18919356.75	19052705.7	18663798.83	18786970.8	20464094.8
C10	L-Azetidine-2-carboxylic acid	101.0477	C4H7NO2	Alkaloids	Alkaloids	2133-34-8	1	423912.1125	358540.1138	256102.1137	352480.1049	483038.9	303764.2388	316513.3625	235111.4216	391026.9825	308968.898	721857.53	342829.6125	416705.03	289810.5204	533773.9	339868.9	448300.7325	535163.9	646095.53	585720.14	446126.898	386904.5537	763152.0272	256229.1884	466684.8992	529626.5884	919979.356	348368.0775	412897.898	1054411.76	855004.1049	390940.8038	681224.4756	659391.1037	501854.4908	855763.356	760016.5818	568146.6549	528903.14	516978.5844	293299.6188	336387.5884	299777.898	679012.2511	461564.4733	893921.1277	1097774.584	391687.898	398050.898	446309.3678	398434.4733	428966.2388	815220.9549	432795.9003	1176634.764	529646.53	505959.4594	515616.53	415888.3896	584363.53	690235.3622	790184.927	948518.0537	680469.03	414360.7325	426625.3896	691084.8571	589975.53	405094.7884	746123.9049	759981.6548	412897.898	269368.6956	784389.7207	556883.9757	327187.175	442660.53	461637.5867	477517.0678	456654.3622	811649.53	375087.7896	675630.9549	452481.53	646363.356	561628.7537	479897.4411	399480.7908	401394.1071	728814.8067	418809.53	647929.1309	1078183.175	340916.0289	666653.1071	376929.7337	822269.0526	461898.5693	578269.1537	452394.1896	478809.0549	434242.53	444154.4011	542932.0289	381849.7968	485693.7171	428828.9	657587.3571	408956.14	454380.8049	788698.8549	505292.7884	768307.4909	850216.0844	804301.2537	633418.3622	355853.9	697821.8582	659578.1049	892955.3588	335003.9	701933.5389	606577.356	334460.3158	1076350.984	296047.03	463823.6137	325936.898	635908.9059	354973.03	608833.9	328251.4288	343343.9	329510.7325	556081.9537	349267.898	625001.0289	353542.0289	847326.6549	579355.356	590677.03	587123.0289	450193.1049	453190.1233	499175.5411	515616.53	512769.9178	325936.898	370792.9896	992262.448	494202.898	1232701.903	726529.2538	596989.6037	883620.0549	916102.54	481243.03	788698.8549	1096198.812	580108.5844	398466.03	438451.53	889770.2673	584643.9287	634068.1107	507404.4567	512769.9178	725307.5844	464407.03	341490.898	573094.14	444800.2533	514213.53	414567.6956	512068.4733	1268816.404	499442.4733	424368.9549	456628.9	524873.7549	502949.6956	540169.03	489253.898	495935.2511	445307.4549	867567.2049	845956.0289	894089.3049	564676.8067	709230.53	342828.8884	882858.8538	553453.6956	631023.4544	1159798.06	930382.7049	485253.1884	642827.3049	563958.9549	521421.356	584592.0526	1004734.812	1012198.362	490018.6492	1017890.53	546439.2511	575899.9178	1132788.205	460973.898	628868.3049	428772.7896	529604.5844	1173810.67	533111.8067	914329.8549
C11	L-Tyramine	137.0841	C8H11NO	Alkaloids	Alkaloids	51-67-2	1	3343033.028	3553448.047	4537440.573	13360259.57	13278956.12	1609764.538	2401388.23	2408164.158	2831765.52	3662420.778	3279529.2	2890209.162	2741908.914	1934448.575	1474668.079	3674749.151	4716542.619	4763974.366	1672316.326	4416990.515	1209252.765	5577189.022	10472716.83	2095573.48	19757321.84	7516473.569	3306182.952	4275245.264	4239748.746	13115579.59	7755371.467	6536120.514	5104983.603	3516772.229	2351520.941	3440369.934	15320815.72	4159165.982	9849870.247	1670342.21	4297033.749	6650119.738	3111323.736	3119558.986	1776411.66	4407033.525	14510407.5	7004424.134	7268448.844	1688706.261	7998867.296	5316052.776	2231817.377	4358437	1012565.475	3362628.816	2844099.278	3049680.395	2318665.865	4201114.839	11296761.97	2292492.207	6432598.867	3680063.224	4353630.719	9822091.494	2910076.245	3357380.449	3271408.583	3488516.842	3538105.38	2375168.657	4441409.023	912627.852	14356834.88	2635784.057	3346770.803	3001348.923	4399292.788	4365620.404	3677105.913	3931394.198	3448432.397	15231089.06	3158308.595	7372166.873	5012875.558	6190672.718	4331698.237	9781105.055	9033184.24	3742348.239	5907451.366	11409675.61	15873659.37	10163356.2	4099336.985	5293177.149	4638709.845	3217163.313	4748496.601	3872148.576	3818180.43	2866757.995	2443312.509	13026343.35	6006432.857	2687986.555	2992294.34	14101732.92	3786505.201	2122877.764	1888232.201	6237903.673	5856374.107	3144630.602	4342296.661	16474696.67	18810870.88	2644130.088	3812839.872	12500706.72	2685658.179	2569662.954	16107843.55	2897365.754	1988065.375	1989341.891	3064210.923	4730842.048	2421614.949	3414898.166	7440620.238	3046801.83	4710533.371	4836345.464	2823834.048	7219324.745	2372297.742	6282901.891	1681381.977	3051309.678	2098511.429	2747367.14	7428874.252	2118213.182	3918194.476	5930716.146	1565594.469	8564961.034	3878260.009	4794777.735	2188297.735	2747909.005	2970612.866	3059152.414	2129047.121	8069888.405	3706522.434	3168857.457	1534769.748	18236315.29	5342245.493	1412390.021	3816082.803	2753515.775	3101143.182	3941607.755	3830916.256	3516268.357	3669254.55	7477539.071	3298518.475	3267417.682	6574989.051	11120252.06	2911058.722	11468599.28	2196272.808	8602632.404	3467223.919	5333237.327	2033471.686	3250297.31	3107083.096	3318533.001	2649389.689	2985759.198	9692489.82	10812464.47	5904624.073	4997296.308	1702101.865	3501430.227	5850116.011	2064511.241	6713044.725	3039662.443	5949525.414	12425706.27	2147212.97	2964021.452	4306889.805	4314368.736	10079780.2	4640929.776	11578798.27	3940757.266	3258766.119	4360441.921	2442981.365	2507936.044	6266394.172	8037557.318	6754181.943
C12	Lumichrome	242.0804	C12H10N4O2	Alkaloids	Alkaloids	1086-80-2	1	24875.52667	16673.9328	13131.36	9181.48	14075.628	16628.31	12499.9875	NA	12440.52667	12791.35375	11182.985	11785.158	NA	14402.94171	14516.528	13115.52	10325.8785	14032.01778	14403.89813	3908.097667	NA	NA	24845.52	13314.12875	8446.221	8270.38625	NA	10560.62933	9729.9328	12561.975	15959.952	9949.842	12327.845	6667.992	12263.74857	14573.09486	9785.985	13636.805	6460.37	6338.629333	6358.146667	7639.596	NA	NA	11749.69333	6850.59375	15935.81	10094.91187	9013.158	NA	8186.728	6905.52	9703.31	13423.93771	15118.10925	12727.01714	16101.4964	NA	11292.424	14078.442	NA	13287.63887	14781.942	6055.1545	NA	18549.54562	12620.48287	7004.2	11058.86	NA	12559.72375	8973.352	6337.9725	NA	9356.792222	7746.816	12494.096	8472.138286	8306.41625	13860.3112	11154.908	13984.3856	11637.89778	15236.64457	9779.163429	12626.60933	7707.434667	6972.788	14394.70275	10370.528	5634.816	15979.5328	9074.475	17297.54125	21463.072	6243.4095	9941.84625	13128.192	12701.28	14801.545	11118.7328	NA	10073.8155	12685.8516	6241.158	6460.37	10413.596	13881.096	13938.90667	6432.5355	9709.878667	9761.241333	14654.475	5522.1385	NA	5742.87	7510.23	13738.238	11459.49575	15238.21714	9259.528	8192.73	13851.072	7646.7328	5746.872	9525.811111	15933.5088	6797.286857	11776.28743	6970.572	NA	NA	NA	7483.011429	NA	NA	6850.59375	12713.648	7679.475	7040.628	11904.2	4067.5635	14686.3275	14546.07429	10484.485	8986.36	12782.47325	11811.4316	10199.08171	NA	8959.01125	3450.01125	14008.13217	14191.51088	9154.816	7718.442667	NA	9785.985	6123.796	7037.814	12347.96062	12253.55375	7564.545625	11789.4095	2732.73	NA	NA	13259.475	14590.7328	15218.56638	NA	8841.582857	8365.573333	4681.7595	10220.53314	11024.88625	15961.596	16186.128	6358.146667	NA	NA	11189.1856	10365.52533	17513.2525	9181.48	5026.805	14590.7328	9851.814	18171.23625	NA	18004.93029	23617.9328	8388.985	13976.985	11264.442	10507.9515	NA	NA	9008.001714	17824.14933	7625.81	2104.9515	16082.38888	6283.34875	NA	13954.47375	NA	7061.995429	NA	7896.805	9701.9088	3470.4095	14657.10125	10572.9516	9331.805
C13	N-(4-Aminobutyl)benzamide	192.1263	C11H16N2O	Alkaloids	Alkaloids	5692-23-9	1	1538869.946	2328073.255	1739773.222	1594506.223	494063.255	3393069.354	2966183.335	1537593.255	1168128.778	1167024.723	827848.255	2234097.387	2509634.006	1111718.006	506862.1111	1429864.406	1249878.778	1962012.111	551673.2222	1180953.779	569470.2572	1931186.006	2958422.39	1411691.612	422752.2533	1733876.723	1677836.053	1400006.72	2265829.83	4955122.924	998630.72	2817786.383	1390495.223	968384.2789	1457260.053	837495.4444	3149669.964	603165.8061	2810590.274	1918532.456	2701020.755	705552.2075	2851567.83	3321598.178	4669383.178	760054.0567	1025053.552	1195488.446	1147173.255	3424712.178	5036505.555	679694.7178	1030373.756	1524015.552	680532.69	1568704.062	2327447.016	1935174.72	2405635.608	2598108.053	1557761.774	3156135.922	1309485.997	3014061.916	1504870.72	332050.7744	871387.7189	3469492.495	500179.2744	3654108.435	3077511.307	3624602.184	1906787.307	1243397.22	2328501.386	994425.5567	1662166.72	4994836.245	430038.8833	6118431.104	4331764.957	3085686.924	1233509.052	1869225.944	3158594.891	2220838.72	1968321.387	1230342.44	1700291.443	3391424.704	2119590.72	3220542.187	626124.9967	2683647.107	2452036.663	2116704.977	1917520.608	1386620.219	3171762.1	4020982.644	4937475.195	2527259.551	2295623.016	3120274.535	2195324.33	1722877.219	1498379.499	2758860.755	718263.6144	3045608.608	793412.5489	1098290.55	1289116.053	672467.3989	2940285.443	893164.0533	1700580.608	6623914.807	846156.0533	776175.1633	1461616.267	3856559.924	5226694.631	1892036.496	3187041.436	5354220.211	1808447.997	501987.1078	4286037.568	5182412.356	1790972.274	4538010.122	1079891.163	886452.9967	4099661.403	4452163.133	2233288.83	2419116.053	3552270.773	2881698.386	1083506.83	2969907.017	1399877.663	2589670.72	9621293.696	485716.6078	2358029.33	558029.9411	677949.5522	2710556.83	2691040.459	3422723.846	1853643.83	862797.4676	1129305.274	2098906.552	5759722.699	1123653.351	509218.4411	829807.5522	1091842.718	1680243.18	6680147.356	1009385.663	2979649.273	732854.72	2235699.274	1181238.72	2566166.72	982794.86	1906070.997	1454112.663	235183.05	450245.5544	2317654.386	1490406.72	1057692.053	8827136.928	1940419.83	2842188.053	2490001.163	2111736.321	1607175.886	2495327.04	2204762.829	4086674.229	1938188.053	1695759.719	2495424.663	3217352.774	1915329.023	1750597.33	865090.8567	391781.4989	570684.7744	1165957.051	789432.6078	1055184.108	630887.7178	2858972.218	1033124.35	1222107.386	536938.5522	3591260.254	2279087.274	1697724.053	1037684.426	2135862.72	983867.5089	3590561.699	2517489.162	1835014.064	2819629.441	2339087.875	2638846.108
C14	N-Acetylcadaverine	144.1263	C7H16N2O	Alkaloids	Alkaloids	32343-73-0	3	497195.5089	488469.5067	525341.5633	544329.3967	262757.04	445405.5089	537575.0233	519537.5067	490242.8411	303411.1762	309792.5512	501175.23	513803.7669	483343.9097	526492.3411	436217.3383	514359.5067	313273.3013	528218.5078	307538.3025	548357.1189	432128.5633	548363.52	487941.2856	510495.19	498298.2856	551809.4522	570844.1214	546055.5633	523665.9533	411374.84	382010.0233	442485.5633	472451.3978	313273.3012	465111.7592	582550.2016	485111.1756	478688.84	444133.7526	482716.1733	275565.1762	443636.3411	423497.73	452267.1744	477584.2856	491346.1733	401632.9522	435580.8967	302831.0512	467826.624	494270.5633	352940.5075	476622.8437	469253.0115	540824.84	480862.1912	288908.0512	430427.1912	509022.5589	306879.948	486790.5078	472560.56	550901.8983	501175.23	287167.6762	534295.0483	569799.3483	329751.942	518386.84	460322.6189	504052.1744	393919.5178	447203.0811	259579.6147	449494.54	516760.62	489091.0526	464925.73	467908.4994	502267.2137	504391.5161	525247.0148	479362.4994	563091.4148	534547.7856	450914.0126	436798.8617	526277.9483	475312.0983	486192.4483	479091.4067	553535.6189	526775.8358	502884.1954	502380.4111	575525.8483	535071.5067	435005.5078	489632.332	429253.942	560370.9681	459799.2126	278615.1147	415818.2048	363081.8967	447045.5067	497722.8967	422071.8159	467802.6744	427232.8659	471920.8148	457235.7615	415427.69	417878.4109	445987.4811	494845.9522	508386.5278	259901.8012	514914.8505	308632.3012	493833.9689	472451.3978	444388.9983	368544.85	390559.8983	404338.7994	386097.4522	408537.6189	391313.7311	393577.5078	389414.5983	425182.84	397605.23	446679.5983	512683.0078	499406.9994	473021.4983	464925.73	498790.7483	474166.7983	475270.5972	391275.9522	454163.6994	482762.7856	471262.3972	430485.51	439608.6189	381531.1756	479082.4071	558746.2526	530859.1483	489050.0589	496562.3383	514620.4401	546138.8776	436217.3383	275683.9287	356317.6312	484300.9413	452267.1744	420580.1733	407448.1303	429210.1733	479142.8162	463730.1733	453551.3983	482756.5483	503944.5983	461971.5093	486765.0983	582137.7029	465572.8137	372455.0612	491393.6189	451010.5026	461473.3967	468908.1733	355742.0062	330908.942	553813.4994	528641.3137	500921.5663	541452.4522	419484.1314	574194.1733	488483.0483	450437.4401	556514.6912	493234.9102	565267.4994	497029.3972	483083.74	548611.2983	461981.4067	454084.3972	449031.5133	474697.9972	545748.0483	482756.5483	492534.5994	464607.3437	411908.0092	288908.0512	287267.6147	476225.2526	508352.3082	497072.7983	481036.6189	500464.9972	360691.8567	457599.8994	448397.5483	422632.4044	398180.6189
C15	N-Acetylputrescine	130.1106	C6H14N2O	Alkaloids	Alkaloids	18233-70-0	3	45235.5135	17609.6435	NA	54016.742	NA	32899.4455	65460.323	25200.406	52515.144	26260.256	24449.898	19239.49433	21921.10275	NA	55493.19075	31712.96175	34976.454	NA	78804.837	20518.554	16753.528	30786.822	24723.2475	20988.084	20144.665	31247.1435	18786.572	63379.976	31586.889	12230.175	34044.8175	44367.862	20993.2625	20389.6075	55433.56	19228.69	58875.3375	NA	32071.886	17396.74	26117.61375	26112.89	40283.902	54779.098	17257.034	NA	58853.41	22414.452	21988.76933	34069.4475	23169.5715	18770.024	29382.48825	34360.116	76053.824	34819.12	24005.2425	32070.528	15395.424	NA	32144.926	24277.89375	20601.974	50363.661	21998.20833	43369.476	NA	NA	22431.21	65968.924	46394.404	32979.081	22705.3285	16754.87	40259.78833	39797.53667	35443.6545	29387.8025	26551.062	11446.295	22638.198	50392.664	37102.31467	52186.149	39396.938	18565.228	20375.586	27946.282	27940.78	31691.33	44836.815	21315.3465	15847.678	NA	28383.012	26115.698	31612.882	28383.012	111818.124	14037.32	46160.182	23997.644	29882.314	50252.532	NA	50704.786	19245.576	47725.0045	18785.214	43054.32533	23757.5655	64545.705	24448.556	78775.893	16949.11067	24718.77675	27483.24633	72277.8525	101187.6112	28069.272	27166.106	72839.046	37108.708	27516.45075	50704.786	41503.4385	13126.5775	38029.596	26095.11	26117.61375	73242.718	34509.2535	21059.283	NA	41224.19067	18565.228	36643.42333	33578.99925	39834.849	27797.45	57356.46375	35202.347	83768.967	31692.672	45925.94133	17260.15575	NA	NA	35442.27225	60456.89667	36670.15	26712.51	29778.224	35765.642	69991.18875	25636.444	69014.36025	27164.764	17659.378	66216.68625	19024.5675	18312.715	25197.69	34358.758	21975.258	60621.33825	32132.9495	29882.314	24720.469	21975.258	38934.104	68259.87	10868.858	41455.4382	23785.758	33955.284	74608.326	47150.322	19469.736	63884.8305	36164.05	110998.16	51158.382	60915.788	NA	81033.986	NA	58637.082	NA	47371.2	54165.1077	45724.624	23347.185	47150.322	36657.829	25192.86267	16926.948	NA	17659.378	15401.16	NA	58593.903	30308.642	35313.388	35909.47275	26258.914	21316.72	41681.72433	62291.10433	40745.804	21733.69	80170.888	NA	52685.986	23309.861
C16	naphthisoxazol A	187.0633	C11H9NO2	Alkaloids	Alkaloids	-	3	9650221.347	3293841.752	43158765.45	38003013.29	48147565.67	28371869.72	52224354.73	1595188.916	36318298.94	41012664.87	13900325.78	41126859.69	31707144.26	37837016.81	41974711.38	11451811.86	47327460.4	30600142.14	66106764.29	47640615.38	33818259.41	57465990.32	54574249.46	8993744.559	32481644.14	49542237.76	56256771.06	44890944.64	49049633.41	64938228.48	37952743.73	40029988.38	52057610.6	11847983.12	35522227.46	39348272.73	63139528.91	60075895.42	51494242.31	49165013.27	45908612.17	26708367.71	37123743.37	28856053.99	38820536.84	59749849.81	27621154.89	8429730.309	8213774.203	35207949.42	22866853.38	41594165.84	29699648.86	16546117.26	11746992.87	47359869.71	27938451.96	21967404.54	8039152.037	13920796.79	41671024.45	22366790.15	27207935	61828962.01	38939723.68	40872089.27	40215941.35	44152610.53	10428305.2	24965894.21	21572875.59	14422735.96	32036685.06	13330988.69	40093058.74	47147503.92	37849554.64	43407517.42	19551926.9	47333322.62	36336271.77	48870649.15	54564212.95	47561985.61	27003964.36	44447944.39	35341439.92	7291946.883	55995842.98	9630318.629	60490720.38	12222334.34	39807515.04	13957940.14	52490457.2	23380105.86	26178252.25	39808678.08	26216110.97	23475195.46	23827892.16	26598206.71	24999192.53	42799193.01	26185927.42	47423482.25	30825643.68	13045013.94	4491256.068	50155121.7	4808465.013	15026083.98	38768155.61	42925210.83	9811902.96	26898195	43218451.08	23324979.59	13681773.37	45862219.69	10009978.37	27766622.02	48335244.88	12357702.5	50048576.44	13082370.87	21369760.44	13556192.44	29684595.02	21323100.08	18905164.96	6520572.278	12222015.91	32963594.48	34649995.38	8858469.367	14520241.75	33331417.97	23356019.73	67270228.39	13960609.35	37352966.89	16737141.63	27343309.77	23366451.75	40399227.6	17168550.11	19067267.28	4444611.644	37981943.1	14307921.63	46700554.59	42593202.9	19292985.4	57374655.19	31772261.89	37725881.81	51403015.98	27782791.85	23538690.46	12409949.15	31852405.91	21231951.74	11540072.84	54013225.96	10206270.48	35827363.36	34533756.59	37571920.73	25825565.12	23136946.42	10929151.14	55390515.14	3337778.969	40971208.84	23318174.14	31201489.9	40164589.97	18866239.81	47335517.05	26419242.63	28131004.82	20833190.15	58307945.54	28936122.7	50040924.55	5461255.378	30265060.37	33417021.47	6885471.64	14494244.17	13654786.26	2744754.54	41203455.02	50561665.25	13842711.87	5985598.997	32186510.33	65285849.72	46444139.15	6977120.625	10234559.08	5513627.415	44237817.45	12913228.82	39062291.42	33934548.52	10194610.91	13188608.29	42735496.08	27375625.21	36281603.56	4896521.393	31686473.52	11096416.18
C17	N-benzylformamide	135.0684	C8H9NO	Alkaloids	Alkaloids	6343-54-0	2	1090716.973	NA	4833521.875	3916516.147	4195046.114	4009305.253	5062607.942	543919.9968	3869828.783	8576969.346	2856060.314	4676979.072	2822898.298	6706234.124	2418124.168	894590.6813	11139568.27	5721911.54	12112180.83	6162410.03	1491753.608	7219866.395	6096966.024	1003401.056	2778899.596	7998996.224	3558544.395	6884316.053	6175152.917	8087281.258	1937062.366	3495751.208	5612035.66	1731378.25	3643343.2	5969536.82	8782166.512	9422615.796	5283599.328	7109679.053	4797706.412	1769331.946	4724295.032	3774473.523	8242822.674	4326595.809	2252443.955	1435586.039	879543.6158	9345865.368	1788670.285	4817623.723	3120681.904	NA	907860.892	6873868.687	3397481.275	3259104.586	597030.559	937017.5797	4388535.632	959816.4175	2291669.262	10884963.04	5350708.16	3799426.585	5789593.404	2978338.125	965792.9828	2706790.324	2235854.292	1261638.697	5134482.91	1056134.453	5646499.845	5112896.695	7555579.651	9083709.981	1945572.524	5298232.624	3249479.958	3082714.987	2806198.83	2659275.57	2383151.947	5782704.411	5954353.586	1114953.46	4495999.261	1559099.032	10338651.29	973361.312	2664601.268	2296152.141	8960680.13	1826221.455	1507250.302	4442407.655	3864388.231	2298707.667	3453864.949	2585374.99	4781195.746	4533758.999	1489766.304	5070602.852	5691469.279	1758316.181	474591.1172	7848694.7	495085.5	956205.6695	3991682.372	3928015.536	2343911.495	1838343.384	3080642.298	3530857.223	1180493.582	4606331.019	1168663.654	3053019.872	3927748.347	872174.8835	7105450.604	1939270.764	2615295.313	770722.6635	3704739.734	2227757.56	1924711.88	543285.54	826983.4553	2222571.482	2800580.203	1012057.667	1715638.838	4890574.713	2527274.949	13464076.81	1445627.148	3400604.771	538604.077	2381904.663	5716062.968	3895670.52	3669134.858	1891509.917	625231.5698	4161961.048	2230302.641	7817354.879	3563339.899	2240131.65	10597596.02	2504097.6	3932031.32	4906794.934	3280018.004	1302313.593	1089242.249	5492678.766	4350425.853	719000.244	4981223.561	781345.084	2888785.863	6225330.892	5446025.641	3398042.356	2020263.924	980708.1135	4176115.409	394004.7247	3047919.076	3906558.992	5459500.253	6567108.52	1668973.35	5821103.12	3130687.644	1995668.941	2021721.622	7665485.802	2599624.412	3547678.371	733150.3317	2266010.128	4518696.594	881054.9055	3402536.564	3578054.035	382463.8797	2979570.132	7983618.739	2117471.057	596026.712	3161694.089	10590805.87	6126202.562	519864.296	2339853.104	871234.8889	5284034.384	1150390.753	4092599.216	2555361.767	737211.378	876571.267	4571805.21	2302258.199	2090459.805	901644.6243	7310158.856	1680532.352
C18	N-Benzylmethylene isomethylamine	119.0735	C8H9N	Alkaloids	Alkaloids	-	1	5518168.427	4577237.699	39758438.81	25888359.45	34276305.58	32837255.59	33937097.66	2635801.049	30982917.88	35236000.63	13127080.46	38963271.76	30939948.86	38686690.3	26951987.13	8796983.862	32737683.97	18165174.1	57659282.24	42786278.16	21966103.86	41139536.34	32336182.46	9260738.348	17132876.4	35272402.8	30878507.24	42353680.94	40229931.69	46836963.16	29823809.75	28659952.01	37441768.16	13656324.91	19989500.63	25945535.72	54825200.77	45889521.33	36770309.13	40670075.42	35630028.36	21481466.22	26668131.44	25142013.12	42269762.84	40840942.6	20353557.98	11888280.66	6845223.733	32885185.8	21470548.11	35959796.34	30893636.04	6850425.251	5531903.949	42026095.16	32505279.65	29551590.58	9163468.8	5799207.013	24915295.96	8362961.827	22062842.07	56746127.27	28778034.07	29956684.81	34232359.55	36908381.36	7749146.384	20541565.49	18070911.78	18385814.67	34548623.43	14609716.7	40584123.49	28233031.6	33459967.67	44556570.73	20176551.84	34845587.11	25148018.82	42989008.54	36843883.43	22322450.12	12169378.49	35789315.63	39862539.35	11507947.14	36252491.29	13658364.42	41836835.18	11275608.66	23059211.33	27122945.7	32374144.68	25084788.46	12483889.92	19466278.71	19522124.18	21605248.91	23455497.03	18012145.33	24060077.69	36434451.05	17339064.52	38040100.09	26579551.81	15695134.9	8173258.532	28241582.83	7680187.374	9533724.475	33855846.34	33329896.22	8535484.848	23296101.24	24944392.16	25210832.53	12071838.18	47740531.67	12368993.29	20213553.74	31631896.51	9325571.573	37881327.24	19516661.57	27151695.57	6044104.523	27110618.63	21639504.03	18765874.67	4843469.85	7023574.921	22873974.58	32099699.1	6481375.507	17537562.42	27735509.76	17933300.26	60848834.87	11085087.11	31725384.06	8773079.25	26169912.29	27641774.55	31065801.11	26818475.39	20479084.55	4497589.617	29697083.05	17660934.37	27541983.26	41111826.91	22853965.53	61735786.12	24618586.14	30307983.39	43525287.44	25491499.28	12806762.51	13008243.26	35779451.6	27195626.5	5987938.365	51356796.39	6045767.794	23648661.56	25329975.94	33896982.49	21754322.66	14717560.57	12744269.62	34081962.84	2533878.029	18474673.45	22762775.44	30147549.07	21984577.78	11251330.37	37186259.27	20945530.51	20711391.89	18317842.5	41710805.11	26659627.8	31170251.14	3054582.086	21551378.69	25680037.04	6449386.155	18851461.14	11347623.41	4472102.617	25433777.74	35415203.41	20722037.61	6556847.833	38177677	55325643.66	30696626.77	7232241.504	9082140.934	6214603.705	33192929.92	7513541.672	24021982.13	33185688.62	8546936.567	5766622.75	42135615.63	21156545.77	26322085.9	6738163.712	37392689.49	14716323.84
C19	Nicotianamine	303.143	C12H21N3O6	Alkaloids	Alkaloids	34441-14-0	1	59738.72	74859.342	90142.461	67176.6435	117700.2585	63343.068	104628.39	61040.288	74286.021	45934.002	62583.48	91291.6395	73193.868	64371.23267	70047.8145	75436.224	57416.319	81194.361	102772.773	94855.695	87933.068	108077.925	125799.141	75245.568	63157.4775	89256.465	63973.8	120048.128	75499.776	72375.552	82760.81333	55904.904	66854.7	52978.184	112534.281	54130.761	115403.085	78890.394	88993.2825	64305.4725	47221.234	43765.877	68324.6385	52876.412	95308.4385	91903.264	78660.144	24206.688	35704.96	55175.85	38006.553	90141.2775	40192.8435	90407.855	71496.5945	50675.404	78117.952	37896.8535	44917.267	66798.425	37430.858	62072.97933	66798.425	90142.461	63157.4775	95309.622	95308.4385	67750.641	79467.276	58736.321	59772.35667	66222.73	67750.641	67176.6435	99902.7855	66222.73	64908.064	60923.85267	40192.8435	80042.971	83252.124	73492.983	97031.6145	77035.665	73709.139	87271.29	92477.504	52249.158	45494.149	89606.304	74066.9805	54154.75	104226.909	81531.315	87845.2875	79232.958	39192.12	55282.151	46645.539	70889.148	137220.9075	86159.68	52402.489	93679.886	54705.269	78315.886	49524.014	44361.4375	33427.944	68899.8195	48250.368	89256.465	87882.4	70621.812	52404.863	54706.456	51675.1605	78086.1465	67176.6435	96741.687	43190.182	46107.468	80382.1365	71769.807	100815.1875	98180.793	42614.487	51827.981	73491.7995	65454.651	56268.324	33400.993	63344.255	48805.173	91381.63267	55717.856	42614.487	46089.25	103347.954	91903.264	86698.476	57011.61	85548.114	42613.3	80956.134	51252.286	77631.036	72041.508	68526.697	89681.985	55694.3265	76587.614	127514.432	76936.968	155791.95	79467.276	86952.498	80956.134	59939.352	114255.09	49564.548	70692.614	61091.712	52249.158	68899.8195	71980.867	81564.576	108047.5233	47083.1805	48372.624	81195.548	90807.06933	60861.4875	64495.645	54706.456	72344.988	65454.651	66027.465	59737.536	100476.783	64495.645	63220.92133	57416.319	78086.1465	50003.59533	82276.378	59164.48	64906.88	46644.352	78084.963	62191.678	56842.3215	65071.34	46644.352	75788.973	50675.404	48948.319	56842.3215	93012.4485	61435.485	63731.475	78084.963	44804.928	61040.288	53555.066	50548.512	56292.096	43638.012	48371.437	64279.488	48947.132	66669.486	88994.466	79808.139	42531.90267
C20	N-Oleoylethanolamine	325.2981	C20H39NO2	Alkaloids	Alkaloids	111-58-0	3	5407.280455	8823.827083	2386.77025	5769.8055	2282.327	5297.728	NA	3998.7945	2359.19225	11159.84458	4317.57625	6935.174667	5771.773333	2506.321583	3394.432727	22436.55683	1107.042	5743.575	1886.49	2416.334667	2678.4275	4818.288	31550.57542	7193.432769	4264.324583	3402.115385	6485.604231	2293.054	4371.85125	3217.947538	6484.3605	3083.8	6506.52	3536.085692	NA	2416.515	3117.992308	3251.106625	3295.969385	2178.414	4952.1375	3423.065333	2919.090417	6534.015	3487.065	2501.718154	2547.306667	7318.122333	3892.968	3340.62625	3405.9665	1938.3435	NA	3720.553385	NA	5124.410417	NA	2012.159182	6672.712615	6464.102083	3013.201231	4687.550833	9898.633333	NA	6245.5725	8404.382	2627.316333	3327.677077	NA	3499.18125	3297.224615	3151.47	3490.413	NA	2048.571692	3592.787917	3208.557083	2926.495385	2626.84625	2668.673333	5488.495385	2867.877333	2472.75	3336.496667	2863.215273	16534.6795	2889.0625	4343.513	4528.484	11207.79583	3632.072917	2222.435077	NA	4014.7515	2778.5485	3685.426154	3048.445833	1946.46475	4316.8895	3450.952462	4127.722917	5248.810769	5285.6385	3286.0445	3815.5325	4017.0185	4370.946667	3871.2335	3614.395	3881.269615	4897.41625	3150.938917	3327.041308	4948.942769	8071.597083	3136.56175	3225.700917	9359.85	19497.3625	6735.770833	4537.395833	5503.772667	5874.549333	3364.145417	5057.964	3863.034	64642.02158	3827.606615	3048.726667	2370.898	3230.818462	3680.2975	4233.705	3497.7015	3826.38625	5278.420833	3609.793846	17605.72431	NA	3155.186667	NA	2708.4	5085.5675	3459.615	3417.761	3379.095	2468.607917	3138.45	2125.7985	10631.56792	4159.274167	3895.135833	4052.16	21148.22769	NA	4732.91875	2897.153833	3472.3755	8170.954167	2735.85	3323.186308	4099.368167	2821.487692	3556.4595	2375.361231	3972.93	4475.466	4118.827692	3354.995769	2731.73925	6340.290462	7085.431385	4633.804	NA	NA	5575.563333	3032.872462	10652.1625	3600.142	5763.982154	6394.458333	4108.233923	9099.20375	NA	26174.01346	4105.377333	NA	8465.370308	5508.405	4703.193846	NA	NA	12275.09723	NA	3629.7585	5056.127667	NA	3852.101846	4158.507833	4658.65025	3053.814583	4972.563462	4232.000462	2785.86	3617.231538	3748.8	2556.576308	3067.135167	NA	3342.356	8945.309077	NA	3419.9145	2960.992417	11907.37477
C21	O-Acetyl-L-carnitine	203.1158	C9H17NO4	Alkaloids	Alkaloids	3040-38-8	3	2856253.26	3233138.396	2441461.864	2276047.874	2852628.335	2044106.415	2356086.902	2640152.934	1933348.053	2007447.115	2120340.371	2271071.452	1967256.195	2768794.349	1853339.119	1925263.881	1473313.061	2183489.563	2400716.926	2771399.872	3208166.911	2430274.653	2335691.52	1633690.942	2567805.463	2510630.013	2759198.843	1157421.568	3022367.081	2821980.952	1717830.195	1573522.69	2117256.624	2835487.843	2310634.188	1764256.087	3131796.185	2381605.733	2614740.413	2040819.624	2312756.001	1813776.132	2029325.338	1841393.767	2265281.185	2467632.099	2349695.219	1874494.194	1838379.008	1842406.73	2569669.16	3239509.642	2390787.204	2568791.247	2452253.184	2712586.203	2370371.613	2986041.63	2415240.892	2341364.314	3657937.045	2146787.452	2710945.677	1631317.301	2617355.754	2730348.031	2810974.958	2307896.341	2293229.188	2163103.881	2250015.624	1987404.73	1826969.491	2055590.699	2083737.505	2488862.958	2474487.07	2147141.767	1911623.18	3060888.056	3162597.271	3285939.281	4473901.063	3183997.273	3619885.376	3829439.759	2827741.252	2779387.668	2844555.779	2754332.217	3303087.813	3364440.379	2776574.004	3966115.289	3568009.174	3461872.407	3653049.692	3758560.164	4070225.049	2975804.966	4629113.135	2764426.819	2632468.284	2355857.673	2416964.732	2879633.812	2618063.539	2575172.875	2253930.64	2956911.897	2609191.844	2713032.827	2365766.551	2556146.132	2057994.192	2151739.481	2643535.282	2352347.958	2403013.684	2927489.893	3458754.409	2893536.767	3040890.131	3212465.213	3560430.825	2864916.515	2419282.268	2226925.315	2469697.433	2175569.645	1805581.841	1688202.508	2285910.948	1960936.841	1963843.073	2797602.92	2364383.767	2441272.636	2965958.555	2885377.344	1992583.23	2358817.188	2126877.191	2433488.955	2303912.348	1841653.507	2119673.543	2037908.914	1913364.287	2627761.775	2624935.242	2472673.178	2774835.514	1951031.148	3513988.192	3260146.606	2916679.949	1560404.709	2425149.089	3022231.29	2041258.94	2083293.507	2374938.016	2437866.102	2857634.601	2125451.632	3066876.864	2375792.23	2407215.379	2473242.519	2379112.224	2375002.188	3297800.541	2590507.8	2783998.759	2263131.2	2492447.724	3017859.22	1606252.692	2447018.58	2365836.299	2864331.92	2354915.97	3134250.98	2844552.34	3277477.236	3025016.172	2722812.721	3013203.541	2902862.88	3047443.054	2935669.401	1982765.661	2904514.778	2816696.397	1772428.053	2934320.371	2960081.945	3200996.587	2282573.476	2634477.889	2508216.171	2488830.235	3796292.756	2909096.025	3409199.396	2718799.008	2912760.779	2656080.269	2688302.533	2723494.892	3121370.795	3577471.21	2838677.526	3392656.299
C22	O-Phosphocholine	184.0733	C5H15NO4P+	Alkaloids	Alkaloids	107-73-3	3	90993.4725	78680.6412	72093.47125	61924.58667	87802.2412	51181.93625	57790.34625	48053.72	73237.72125	46064.31125	77242.59625	NA	103194.9412	47017.92	55962.568	64416.84	54357.59625	76098.34625	NA	74954.09625	61007.5412	66126.84	55601.752	79236.84	49325.588	NA	90082.6412	48066.57733	67103.43625	92933.1412	56533.568	76924.2265	74119.8412	51631.1076	56305.96133	74676.84	53606.9215	66380.9076	55730.93625	50823.568	48198.4425	60140.6076	35105.41125	57576.84	46826.568	85506.84	87786.84	55866.84	70686.84	76956.84	114441.3437	77338.68625	85506.84	86076.84	104923.6424	58349.72	88372.3412	85506.84	98616.84	84726.87683	113436.84	123696.84	NA	102606.84	59506.72125	87786.84	86076.84	66372.22125	86631.6388	65051.38125	109015.56	75246.84	67854.6	69158.358	52071.744	86529.876	61708.57067	69377.93625	109760.628	83796.84	74154.45375	105396.3087	100019.358	83811.5412	119579.8463	89072.9076	119596.6664	92573.6568	79236.84	108876.84	94626.84	126820.628	57977.444	82963.84625	96906.84	98589.14433	116286.84	103765.0412	116856.84	100019.358	129714.6568	107467.6592	118515.9765	83796.84	70129.1412	79236.84	89582.0904	84126.4725	93732.858	110586.84	83535.97125	69717.6568	87817.6424	86859.6568	55306.5412	89496.84	68088.59625	NA	71839.4412	73858.225	102287.4568	92002.2568	107755.7412	123995.4625	110887.5612	99756.84	89857.29467	71256.84	87802.2412	49486.9375	59142.68625	69546.84	72384.1388	46826.568	53678.568	67679.29467	69400.39833	81819.59625	69804.97125	71379.568	69232.84625	84661.72	64416.84	82101.2412	42083.93625	57576.84	45684.568	43221.18625	60437.4412	63365.6496	58706.5388	50613.31125	64083.72125	53026.1412	61403.685	65383.185	89057.2064	88958.0424	73536.84	55602.2076	54166.3412	46242.06667	39473.72	61795.22125	72979.6412	61781.72	45923.444	NA	74106.84	43197.6196	79250.7412	71256.84	94287.8568	80946.84	67836.84	NA	59286.84	74937.72	71659.96133	74119.8412	80961.0412	88017.858	70919.3076	70686.84	68088.59625	61577.6412	85307.96133	68247.96133	72396.84	71091.29467	65980.6875	76943.3388	64267.29467	82101.2412	68988.9412	62147.7412	88449.8472	70699.2412	75830.1412	44182.1925	54393.33	86662.0412	41905.444	83796.84	45958.1076	68418.8412	89638.1508	72608.4064	54357.59625	82086.84	89732.358	82656.84	51394.568	102998.0103	108306.84
C23	O-Phosphorylethanolamine	141.0191	C2H8NO4P	Alkaloids	Alkaloids	1071-23-4	3	78754.4692	51297.71325	104363.75	163117.305	111107.101	109807.3632	138547.8072	93479.9784	82093.8448	141026.2035	56737.51457	173409.852	59227.9396	62109.2428	117399.4778	31872.792	158945.9508	127951.0437	202675.3352	121160.5663	186375.772	121570.32	177353.56	142295.142	34366.684	126131.2932	134167.8484	160384.4836	149946.24	112801.172	147658.589	78039	56345.4848	80995.4828	38100.686	122525.612	240858.6441	192208.104	91348.731	97567.382	109806.2116	123316.561	145343.0542	88492.404	57394.89	67828.725	41309.307	83237.648	79555.0525	47713.315	125599.936	122289.5556	112366.2184	24364.043	56346.6364	118769.1144	29415.46667	80356.3448	103835.08	187913.4816	81753.729	149301.28	126953.2197	164635.4858	82678.85167	173190.2756	127273.8232	106956.486	41942.4236	91863.2976	112078.8527	103849.557	125811.1484	138143.236	184072.8956	107608.242	136718.66	183321.5992	74396.553	108562.176	66910.2632	118164.665	165825.7936	167746.6624	136351.0908	53865.1128	83556.6412	22255.76	124793.96	108846.9288	135415.4924	20842.68725	25937.4868	179809.197	49624.7472	167036.52	87377.0124	47660.0655	100842.1572	165100.4233	75953.976	54181.9915	84488.6	139553.1342	151101.436	162305.3524	95400.8472	74699.46225	156888.9816	173013.6417	61394.44667	134775.2028	130770.954	111088.6183	86296.149	158969.525	152061.8704	94895.17625	149711.6617	202463.6792	160385.6352	142950.093	187220.9115	72394.041	236572.0364	187914.6332	148332.68	137655.3544	78186.666	205449.611	127502.4765	18591.552	31278.408	118448.9696	172548.8344	41302.134	116827.9524	60582.079	126953.2197	184103.712	95129.28	211902.3935	30962.72	88223.9025	116207.956	79713.752	96315.30667	84195.7792	28083.305	89366.543	67231.5596	142630.712	182672.636	192715.6536	102763.026	147688.88	146828.3302	127113.7998	97902.518	122758.757	41050.272	217337.6	169968.1398	127516.6	178846.442	74683.269	229109.2544	172436.915	134133.7616	115411.4937	186059.36	100779.3325	85302.481	76633.29475	86935.9285	184738.743	120052.356	106412.676	117169.542	182920.199	71698.146	126794.7512	77549.9352	166391.56	80818.052	129332.7412	137693.16	49010.8284	22097.9655	69115.748	95720.9048	105287.2415	36351.6686	115382.4375	151650.8308	83307.202	19971.3815	83570.0008	141991.0258	165184.3524	126474.288	58596.6732	33665.674	44215.2832	62517.6825	109473.157	45100.8675	128987.36	13652.16875	130614.472	109497.9445	123961.7063	182544.7078	163489.24	112542.04
C24	Pantetheine	278.13	C11H22N2O4S	Alkaloids	Alkaloids	496-65-1	1	27779.336	38598.301	116799.8568	69938.288	37657.32083	58313.4472	76903.64183	34167.99543	75813.6155	42752.21	30723.90514	41207.21	24129.28286	50992.21	20997.26229	33036.5585	33283.548	31401.872	129272.21	43775.1255	106020.3225	68710.87483	75446.5584	36352.6925	63044.126	63877.5311	23417.2915	30726.144	54287.76457	122548.1925	36355.11943	30290.8596	34512.21	78856.192	46357.21	96827.21	31559.95817	81427.55029	39287.66875	166228.2095	47612.8428	91642.12717	91320.554	43782.21	72200.192	34068.72517	84251.069	41649.443	40211.5415	38359.96743	68543.456	51237.3225	51582.126	32375.61067	22017.8428	78912.19125	8742.112	29533.9605	35108.8375	26889.3225	36795.066	58429.36267	36301.3344	46606.69314	60352.94625	147996.836	51952.995	13750.126	93717.26457	101170.461	38118.012	14066.0135	6553.864	31010.1675	55291.3428	67461.29217	66667.71375	36834.554	67078.144	34121.295	67576.9428	31706.7356	20255.9425	56326.144	39063.3225	53436.96375	99826.6428	54492.054	112975.3387	38844.176	64505.5428	49874.83875	196575.7428	49961.4552	95974.5584	72702.048	68194.33875	56469.1596	82179.5725	32249.364	47179.3225	45283.8375	47229.7596	247580.4384	76073.82125	59425.05257	66522.3585	82239.554	94726.144	147807.7584	93426.7596	50172.3428	44663.2596	131841.066	41070.1596	138731.0428	95219.5428	142998.9637	10657.3225	29264.2596	38918.144	29269.9608	103815.5887	90584.83875	39618.10967	86216.32125	20534.1584	87252.0725	65695.7584	46607.2452	196448.9582	48845.0875	69574.12267	164034.066	231548.569	141527.8225	106405.5438	5092.5875	146655.7104	75756.06	95174.5415	83217.40233	77309.40514	26374.238	100247.2903	39696.12367	242566.3918	287230.32	124823.4326	140454.5887	178142.2287	90594.2915	57352.192	136889.185	40077.93371	73291.12483	82747.77817	34263.2356	35449.57543	74321.126	50689.11943	94665.62483	73477.5525	95482.64183	86345.19483	64290.253	72894.7596	125237.112	77960.9775	59266.10171	85677.0585	79580.14117	48869.09	89820.71143	35449.57543	86513.83875	97719.12483	24948.126	52813.1085	256356.569	53463.196	212444.6428	21195.054	15424.112	17983.21714	27502.12833	214523.7584	93418.3085	233611.4412	45753.196	162737.9011	75040.605	106793.3608	171003.1248	139164.1925	22836.94875	66986.4356	55506.295	401005.2345	120613.5686	118280.192	58407.943	51529.672	36124.3025	109506.9472	51435.695	137734.144	91627.126	96939.7233	29184.4428	27267.00778	134245.1147	131834.054	85505.12483	31056.126
C25	Phenylethanolamine	137.0841	C8H11NO	Alkaloids	Alkaloids	7568-93-6	3	1347243.321	1532574.606	1846830.697	5245226.675	5562098.72	657810.8172	966998.1825	1002907.077	1146378.941	1483380.486	1241451.099	1230318.194	1030513.429	730322.8855	592314.8887	1536381.297	1890175.92	1946235.38	723841.785	1733279.636	472280.3227	2261508.073	3887322.624	837287.2933	7724969.686	2874735.147	1371340.975	1650848.643	1579226.667	5098044.061	3406341.86	2631517.357	2071839.093	1462955.714	1007326.291	1410187.096	5564885.407	1719642.725	3821148.716	682768.547	1655593.949	2599030.129	1232015.821	1156190.468	780296.8524	1853939.632	5322554.062	2928746.401	2811325.673	667380.4053	3026431.278	2224371.408	891569.7681	1715191.831	413606.2446	1388306.314	1175281.131	1205066.779	1028123.386	1518092.01	4301435.898	919950.048	2527710.145	1458881.937	1818968.708	3691033.796	1162507.331	1322164.153	1346410.037	1360492.509	1329585.97	989285.6553	1637481.438	331530.012	5283609.607	1091458.363	1394685.543	1264262.41	1879934.976	1637889.028	1378882.356	1624877.486	1381474.705	6094012.554	1250115.067	3103794.566	2089374.962	2545452.232	1841659.865	4116721.928	3693271.239	1665474.212	2251540.83	4981160.224	6847500.768	1112566.56	1751863.667	2371340.012	1855252.561	1324322.012	2040971.782	1693505.388	1652988.291	1283853.569	1006997.991	5157288.722	2335109.915	1245420.04	1272780.757	5879528.138	1520793.779	911300.4498	806731.8932	2700464.157	2561227.093	1199855.132	1822833.819	7127758.223	7875544.819	169989.327	1482927.368	5131776.417	1014910.78	1143365.572	7173684.461	1251016.61	771675.1713	949444.8886	1323586.108	1957855.084	1055518.494	1436637.724	2909434.854	1201455.137	2062807.823	2172983.539	1355332.175	2735961.763	1021911.906	2510988.384	741507.4036	1255933.226	856683.966	1078564.697	3097005.806	894404.942	1441900.145	2473681.485	704238.8443	3341574.364	1543564.282	1846432.634	911822.9418	1139713.196	1251292.193	1146924.087	894927.9049	3127580.759	1531082.118	1247675.225	631171.8496	7348606.434	2050936.89	608603.0722	1522303.081	987806.6527	1328495.898	1586482.624	1628018.058	1427042.61	1559673.046	3123064.355	1521064.53	1199393.081	2702101.329	4442695.435	1112455.418	4272654.435	1021119.385	3205346.061	1509578.159	2308279.149	789264.1549	1450571.765	1277334.292	1371827.353	1249930.752	1174607.268	4001065.764	4331004.253	2308825.329	1985864.088	797833.442	1388518.643	2367385.16	857332.6383	2956810.568	1286647.277	2395968.675	5024381.758	969312.708	1346296.267	2099722.091	1790324.448	4196904.846	1942078.254	5001785.068	444843.84	1506619.479	1749163.455	987869.0985	1144851.006	2663350.874	3293122.131	2934331.815
C26	Putrescine	88.1	C4H12N2	Alkaloids	Alkaloids	110-60-1	3	NA	NA	78722.31	76015.51833	101440.4424	56429.64533	69701.445	60509.43	150402.21	NA	52146.38667	68712.52267	40791.39	94612.9245	75559.968	126705.5596	103753.3289	NA	NA	80586.23025	72317.749	96230.953	102972.632	111443.7843	52715.96671	70830.01525	NA	77430.244	70979.0675	99417.9225	107404.5	103813.7265	104439.15	NA	35976.80733	65012.37429	66919.425	66406.65771	78216.8478	81366.66	104096.0507	173209.0682	133879.0067	NA	109919.1986	121540.618	84549.1374	86025.4962	103903.8735	71248.46786	41871.304	62602.42267	64280.10614	35749.74133	48167.34	33099.91514	35954.98867	39539.76	54135.83822	NA	91380.8554	43901.90133	76111.571	53285.55	35454.532	NA	NA	31319.42267	47415.656	54940.56	68623.99543	95224.78267	101880.2438	NA	112341.3298	NA	78345.68356	78280.0955	77705.5125	62941.10914	43403.5728	54729.554	36478.233	NA	49126.9905	70815.3136	33129.7085	74206.98367	25440.704	44473.8812	43672.3524	29979.081	47343.18571	57270.2635	51320.50957	39260.8522	34653.6608	55806.45057	25340.96975	NA	32719.26	37684.23	48622.06267	59255.2048	74218.48313	41806.43467	79565.64429	83436.75833	33432.713	33266.7	72265.7886	54331.29	66681.03	112724.447	73744.035	63578.365	54638.64	71657.2375	35524.44	70495.602	31820.0054	42747.5125	29995.3104	33570.0265	61623.91733	62466.36	66383.217	83063.37367	120222.1016	95628.54	120702.8711	40995.424	NA	94974.55371	80281.61886	48046.8208	50677.991	36976.4832	54965.555	46735.9552	68468.039	107137.1813	NA	120812.7405	111304.2021	112416.2698	44254.59	119257.6966	115219.35	34770.75	47271.2058	74240.7708	45522.08686	46084.48	NA	39507.96167	43485.52033	54324.06975	53783.11286	51103.36	63611.8308	73006.96271	62932.31357	69001.03125	58079.52722	42947.84	65585.81111	69039.50043	86929.4712	65042.3428	79438.34044	23037.92	37461.3184	44689.9356	53853.696	36535.356	100439.5938	80829.09	109286.6251	104000.7133	91608.70062	65694.66771	65033.00267	62466.36	69398.83108	32062.35	34715.964	26305.5464	65598.71625	38113.59467	63291.63675	37511.694	74457.133	35770.47467	41083.55817	32471.7134	61958.836	61493.48371	28930.064	52761.904	52821.50286	53989.416	NA	50995.7155	51059.46833	44723.76838	67653.50625	55751.113	65508.28477	48931.69343	39414.5388	38829.63812	45625.95914	35573.9	34402.1984
C27	Spermine	202.2157	C10H26N4	Alkaloids	Alkaloids	71-44-3	2	11040703.96	12854821.79	13533392.69	13501994.98	11093111	8904311.286	10182027.59	9794781.13	9338616.337	9991148.086	10817067.69	13703503.52	10603249.84	9540218.062	10154352	9818280.926	11613414.34	10303623.44	10620146.23	12502142.62	12538217.43	10260951.16	11442713.21	9566240.63	13215488.04	12662900.55	12679776.46	13118066.63	11645725.23	11520998.43	9031432.701	7177395.901	10000365.35	11324916.71	11202710.17	10133492.34	13679997.3	10511454.68	9459597.142	10274240.85	9313390.79	7985804.864	8550335.924	7311435.832	9152788.22	9620611.395	9504015.66	7661761.484	8587817.64	9148893.956	9199504.445	9779923.534	8249822.846	10358580.17	8918177.478	9244472.723	8977204.598	9246343.659	8581138.243	10585176.57	11222169.99	10498531.15	11459763.78	10428842.44	12204868.2	11246596.5	10987176.22	12519501.29	10532244.1	11367910.64	9076531.68	8710347.875	7317781.975	7294882.56	8298988.481	8328823.795	9987519.106	10701011.03	10367295.14	10737403.09	9842881.211	9947219.972	11975110.68	10633191.11	10000468.54	10934114	9146987.415	9507520.16	10185839.45	9602524.642	10487867.9	9243949.4	11789656.25	11555026.71	12779569.85	10444752.5	11296947.6	10499355.29	9675342.586	10704291.41	11158456.29	10049459.42	6998848.56	8141274.985	8076807.238	6517645.059	7449061.513	9714713.963	9051218.8	9295904.721	9682914.657	8902197.594	8549885.769	8232030.337	7522007.972	8765676.769	8938748.931	10305066.94	8587372.811	11021004.78	10469364.29	11366608.09	9819759.848	8402434.352	9039726.051	7294215.093	7755231.874	6453532.232	8124024.734	7752800.492	5928747.974	6191952.174	9155066.339	7661727.638	9334170.347	10319474.31	9995958.445	10584723.75	11604282.58	10935341.9	9267334.524	8823075.783	7496165.096	7943890.34	7924168.617	7604566.555	8644467.112	8529025.518	7775144.75	11732914.99	11887491.98	11694782.84	9117098.463	10652502.85	12707506.18	14312751.47	9878717.88	11804314.44	9254114.081	11715045.1	9167744.584	8767123.899	8701758.172	9760500.859	11208796.39	11536458.74	9538016.907	9496361.615	10386269.98	9711506.849	10830765.43	12289382.24	11856369.39	11765109.48	10831497.61	10438240.39	9965310.081	10982717.95	9721145.012	9410809.647	12966273.65	12701375.18	9877185.692	10524485.24	10271668.43	12524597.96	10418723.22	10153961.47	11560129.58	10894373.66	12512861.98	11550828.26	11802476.25	10954970.38	9148871.763	9470397.173	9862755.615	10622165.98	12298110.54	10372976.76	11307866.27	9120871.07	8992241.532	12799066.45	10177676.21	12673687.93	8913206.473	10656040.79	8514412.167	9454726.887	8606114.761	9673327.74	9806755.605	9786328.368	9467090.267
C28	2-Phenylethylamine	121.0892	C8H11N	Alkaloids	Benzylphenylethylamine alkaloids	156-28-5	3	126442.2348	113387.81	235175.9817	445209.1656	231814.4933	121666.2556	174970.2726	153958.61	156985.7817	555817.4444	244370.2482	116757.7923	129156.2328	76522.9482	116113.6317	188450.7778	149225.6307	148014.7211	170825.8482	240144.9989	70871.81	258172.2867	514471.8267	236006.3333	321267.1	121861.61	262185.3493	195151.8267	149422.3667	372168.9081	311234.5889	176349.2033	209850.7778	142255.6684	122256.8111	115928.5556	240661.8811	536286.7011	270486.2556	81450.77778	279738.7722	264573.5267	143127.9389	120078.4433	126628.5556	276138.5478	354311.81	332275.2767	228278.5556	96897.27667	414536.4933	201962.81	135439.8833	109865.4789	53828.21667	276391.8111	181782.4822	115928.5556	200889.3536	123009.16	317730.7	NA	337219.0333	348865.7144	159189.1977	471304.4933	141751.9971	91835.0328	131115.1444	236380.6328	139973.4778	124706.3374	121162.7268	55982.53667	268527.6067	130495.0482	189639.6667	202247.8267	169901.3822	85163.82667	116778.4822	313161.9656	189607.0378	396871.0511	277457.2033	146690.0511	236286.3433	182986.26	156433.035	147845.16	382604.4933	170075.81	206959.0478	564531.7033	390846.4367	263449.1467	173288.7722	162643.7722	197275.9233	184190.0378	234418.2533	179654.5286	152077.4014	124771.4367	84588.38444	422815.16	151998.7722	274076.39	131825.7044	235362.4933	204165.3778	163346.3667	122429.3278	174559.8156	166176.4933	177161.81	163484.1111	373553.2549	235621.31	155880.2749	164779.4313	198051.7611	137201.16	138792.3667	247780.4933	186855.6033	122256.8111	139391.5482	166752.1589	170948.4822	202243.0971	160263.16	208477.9222	126969.31	157882.9922	178390.7923	159409.3999	465325.81	70441.4307	379391.5249	105497.9173	165507.3767	85051.81111	196925.8267	98414.2005	122256.8111	178359.5889	131693.31	78478.55556	306913.8267	117786.67	116941.8111	137020.7	143556.3463	306896.5133	174225.7	115814.5433	198910.5678	148227.31	204593.9367	107634.4933	367130.37	222334.1111	127739.8267	439331.2144	126981.2556	137188.27	118713.4778	161248.6456	277400.4267	169117.27	175967.4444	160114.4822	245092.3667	164539.2734	235665.6456	121677.7011	454155.8267	151062.2817	394468.2167	247757.2144	239232.1322	197326.5705	294108.4778	236234.0333	334743.0705	119894.5889	231143.7112	289173.8267	362499.16	718678.4	162613.2144	100208.2189	206387.16	338958.81	196076.2556	346533.16	227083.8267	257636.7124	256994.87	163219.8267	105120.81	175621.3256	147083.7744	110591.16	183325.16	384414.6056	192195.16	112914.0444	349289.958	194963.7286	165164.3389	227966.2556	466500.0689	297033.31
C29	"3'-Glucosyl-6,7-dihydroxy-N-methyl-benzyltetrahydroisoquinoline"	447.1893	C23H29NO8	Alkaloids	Isoquinoline alkaloids	-	1	NA	25318.125	63005.625	12022.92	19996.44267	26476.1295	122045.65	46401.472	13264.37778	5114.272	3353.234	295303.1368	20128.472	167835.4356	7947.27	296425.9368	26949.1356	16876.87375	NA	247985.7737	40557.3795	185797.0356	29232.79975	372860.2488	34470.65	102301.472	11648.58333	13241.42362	34032.4936	NA	63595.8936	115186.0398	39297.7356	113126.7872	NA	3410.272	11232.7356	88999.0164	160183.7925	20116.08625	50056.99875	59378.85125	182635.085	55693.125	24629.1152	23741.41117	29194.3356	481291.6225	18756.67475	250262.4988	175693.6356	NA	12958.1295	34903.54633	25138.085	59701.9948	77440.86125	9015.3795	210747.472	23307.2665	NA	17205.0165	15774.3795	18436.085	12425.40413	125070.3667	27372.085	16318.125	32408.25925	135766.1663	NA	45233.95875	45780.77625	286264.762	8443.125	3081260.498	158367.2112	18203.23612	35442	18625.39833	NA	33673.11125	16959.40125	6707.585	18250.6995	9005.625	21375.87375	79124.23625	NA	1421196.376	NA	98737.2936	11101.09867	4511.381	5390.4608	NA	65241.12375	59817.472	70181.7368	234567	2315828.069	363942	41705.762	18440.21125	18754.54863	26077.09867	48848.5368	160880.625	NA	171203.2356	159365.1112	12514.59887	204598.472	42825.1608	128789.4987	121070.9948	13466.4608	NA	24392.5425	NA	154314.9863	153753.8613	12851.085	NA	106111.3368	3995.1715	NA	19422.48111	30327.738	235116.9863	508073.7368	10146.381	21416.381	13311.08333	4509.3795	19753.73167	31136.08778	4726568.25	11055.48889	55880.5875	42104.2356	15774.3795	10671.4356	33123.4356	5072.6295	2842.272	59206.585	196880.625	5132.32125	28216.23167	39389.37625	41431.9176	14396.58117	85886.78	123717.0165	182997.8948	9425.66625	57701.7665	8883.7665	95444.7368	36568.125	35551.3704	19162.381	24786.3795	314792.9662	11044.39233	27510.4356	22724.66625	30784.7152	37754.5608	22533.3795	465755.625	NA	64723.0948	NA	51328.22567	45750.3975	154391.7368	12701.81017	192129.585	28071.7356	29502.291	6182.525333	NA	NA	8846.6	6193.125	120686.2356	85324.3356	41550.3368	43012.29863	179965.6238	1831528.775	NA	14647.8795	484318.125	60193.125	38575.472	76745.8995	24632.3585	9345.9291	NA	14344.04862	17183.41625	13409.585	80862.738	27372.085	98421.24875	42156.0975	10066.472	12963.881	22749.09867	335818.125	8320.827	997531.8948
C30	3-O-Acetylhamayne	329.1263	C18H19NO5	Alkaloids	Isoquinoline alkaloids	-	1	776412.6056	494024.2296	748329.662	1307860.463	606496.8368	447596.162	306040.7876	950354.4876	328132.0308	1060083.663	644174.3308	692780.162	387780.8174	436235.0308	222537.6296	805083.2222	601474.4296	1623155.5	195186.6935	538901.662	209468.4632	1033818.43	2120576.11	978189.662	885107.2632	2387749.924	632728.1308	256684.662	607928.0308	1187165.063	232747.0308	551332.9308	506417.4632	1533557.23	408073.0632	690334.2632	429172.6296	843088.1225	299558.4996	169848.662	787916.662	362037.162	807473.6296	1089230.239	595752.2296	886312.8296	788507.2368	1646765.82	688579.0296	772075.0632	1312125.162	631484.162	398150.08	1378422.03	157717.162	743959.2368	362601.6225	558433.5705	477394.0876	638607.6632	684079.5813	554305.1213	447814.822	523659.6632	1552021.105	851128.162	124270.1225	656542.59	441849.662	482713.662	851261.4632	299257.0507	1255635.124	57014.006	452704.162	929025.162	1167368.463	288680.6225	767255.3725	362675.662	426837.0813	322457.835	194750.162	941795.162	388195.1137	506740.2296	415032.662	695883.3725	557691.9308	272051.2632	983620.08	714646.8296	520385.162	1077052.83	485651.6733	560783.2296	823262.1876	661493.662	1280427.84	534301.0876	315682.9147	708924.6296	849186.4876	364009.6632	768110.9887	917675.8632	573380.662	644903.3725	220928.662	637389.7716	492116.8296	337188.4632	488378.8308	624460.662	1025078.431	807836.6632	658836.4608	287389.2296	532516.662	266601.3475	632761.162	226911.8737	178031.6296	335126.9308	452704.162	427802.662	380911.7308	1258688.263	453333.0296	408421.5984	460326.8296	340796.4296	202351.0356	227987.8632	314102.8196	635953.662	253492.162	403104.8296	155799.3996	205222.9716	538148.2332	351300.4368	451496.6308	282268.8632	166043.6632	432105.8514	883133.8296	396311.6704	226710.6632	522635.2296	552952.3356	553876.5308	111375.3895	534432.162	620442.4424	254327.6296	267260.1996	469943.662	1061999.463	564019.1876	892670.8296	863102.911	564598.0296	1082043.989	180498.0996	675738.6996	471209.5308	797895.4536	288887.8356	716789.9984	706174.9864	476716.6001	260767.632	241165.3356	833558.572	1358290.031	1055325.911	1387323.23	798771.162	962093.2356	894719.1984	2581290.767	1004729.631	464141.6296	679730.0876	839635.162	813075.1524	1560260.83	720935.5356	782133.0996	82687.632	990882.4368	247969.6296	354148.2296	569585.6368	547579.3876	557418.162	312480.0368	441280.2632	374152.0356	798187.632	969250.662	582551.5984	475051.662	884727.6996	1495948.936	958426.0368	741986.2296	957673.0308	782773.5708	672444.7406	587948.8356	288706.2308	492830.1308	743893.6296
C31	"1-(Dihydroxyphenyl)-N2,N3-bis(4-hydroxyphenethyl)-(5-8)-dimethoxy-1,2dihydronaphthalene-2,3-dicarboxamide"	624.2472	C36H36N2O8	Alkaloids	Phenolamine	-	1	65311.936	50218.84738	120422.4296	173925.622	36572.30031	28043.18077	48185.69175	34676.6815	47577.968	67471.93815	40210.40977	28042.35192	79327.839	48692.26708	27576.06923	81725.307	36918.79538	86514.432	14027.39231	80295.27092	29503.57417	174081.2492	143972.7312	67464.94708	52281.18554	133433.062	28422.44833	38894.70958	35119.69846	89633.967	35360.13077	23645.57123	110718.2903	98989.29738	153973.486	205155.0846	73870.30192	103600.9181	170127.6535	21937.44923	79111.698	20379.07385	187966.5596	157345.4813	113724.609	49736.45658	67455.64423	40382.21346	157226.9933	53793.75323	32513.735	43364.40338	62859.40769	57014.35	24947.75815	111839.4145	87512.554	29609.5275	59098.75485	46965.42577	185578.6433	28465.72292	59435.04785	18055.56646	59678.3	36718.901	17326.74323	25300.27662	23972.11923	98465.121	38158.02738	30084.10523	15645.21785	17778.89567	9476.198077	33542.69475	42784.69	30192.49538	70214.13969	47316.593	45241.39077	31598.58185	10379.25323	55225.74769	49901.35333	160400.2725	43924.01331	88300.38	118870.1282	48178.92385	110543.3658	34531.46	139745.6882	65635.84246	27497.26169	33916.69417	99603.02933	79026.50783	70605.768	82103.68875	63471.91317	69873.65333	139524.3447	34561.87708	32237.64738	57535.15015	119019.4527	54766.227	18286.23877	57888.17831	63904.81977	41917.598	34056.583	61960.37933	53563.35138	42425.733	90641.898	59208.47962	45603.54333	34021.7475	48059.17785	32524.074	22762.77958	21101.58886	47692.20885	29727.264	25166.53775	67221.51692	29719.93654	51055.56908	76706.88677	28045.78338	22975.407	22777.78386	36226.57269	66581.6925	37204.02108	83163.622	39349.80531	34282.15108	99153.00285	54006.375	17022.84231	18819.78077	59190.39038	65436.55431	80545.54042	38236.19862	14150.06486	131663.0404	156968.3985	146292.6346	16965.54677	32921.01615	22603.84667	37207.8445	57256.17308	109571.0037	59308.91538	68868.88167	11511.60462	40870.57	121578.093	72359.01277	62880.816	72963.81	109599.9887	46983.78923	179114.3496	158666.9055	32835.56923	74640.189	32195.548	26771.75354	47463.82477	57048.78308	49259.60538	131466.7338	43317.956	178535.6875	150248.2387	59271.13	45964.776	47598.69662	36920.45354	51084.64846	32253.64858	76655.04685	196061.0271	34024.2805	39327.74246	22158.51077	19747.05854	46527.576	134985.1829	111103.195	48809.27315	27724.095	119641.618	103665.9562	47237.76615	58946.46154	39245.55169	54827.14231	104516.2806	63793.63477	44089.97815	83215.53708	36085.34462	18347.51631	49246.72308	45180.85385	167990.591	89724.52831	52531.84731
C32	4-Hydroxymandelonitrile	149.0477	C8H7NO2	Alkaloids	Phenolamine	13093-65-7	1	9941804.364	11632151.9	9300934.028	9965418.57	12266581.02	9143247.067	9400277.266	3200588.083	9545256.242	8971321.397	9975311.877	12686580.68	11274775.4	6365991.704	12411692.84	7772338.532	11508385.03	9479545.049	17764596.58	16083908.33	11916777.93	10342773.26	12846232.81	7676923.183	11148314.75	11489908.12	8962859.037	11772842.5	10439198.89	12422015.85	15632214.85	9461809.088	11784831.05	6528476.002	13079572.06	11744216.85	17760163.05	15275870.57	10120802.23	9115443.031	11497738.64	9453239.769	7918995.701	8147169.81	11643180.26	11360791.15	12669870.19	7596686.622	10142160.58	10072844.66	8261982.75	9577872.598	10697370.2	7882339.087	12072870.47	14679576.91	10551219.01	9364442.49	9486996.651	13176760.48	14901053.65	8489242.926	12293181.51	17936986.94	11857328.94	8472235.095	21345818.12	17121881.26	8282183.915	8006336.081	7331920.428	9052978.93	7159443.465	11771897.99	11038113.06	9699745.384	9465208.921	13623324.16	8181635.812	9175747.478	7234035.878	12455889.38	19729170.62	14022775.78	8560014.44	11433644.71	8768103.944	8848149.333	10574985.96	11155121.32	10809058.95	5271357.384	13103902.61	10273750.04	19571826.6	8868679.335	9591969.272	10630906.8	12388717.68	13297726.08	16295265.86	10654898.07	9444282.945	11947473.96	11509355.27	12454283.1	7991548.202	10833585.11	10097375.44	9705836.275	8079544.831	10557575.89	9031968.589	13426310.41	9798859.556	8517881.485	8760726.484	10579318.9	9651232.112	11012232.38	6677890.548	11031590.92	11102268.49	10131328.88	17794444.8	10477964.85	14441429.34	9696366.314	8275130.968	10363618.91	9145153.173	4899615.836	6286548.703	9142396.449	12554986.86	8703183.39	15143968.24	8189423.254	12217692.84	19536814.96	17628896.18	11060658.05	11119938.53	9720481.494	12701796.29	9832925.916	12137298.47	8161059.518	7987533.937	10397412.91	11141384.36	16025572.89	17793693.02	12789218.45	14612051.23	12040404.68	9131371.811	21094797.1	14536627.79	17460245.22	9431535.826	12058206.49	10515902.97	13016720.77	12833993.74	8936776.507	14524498.29	14741836.03	11693501.28	9456821.779	13672788.5	9057365.512	15085189.6	11857735.56	12163512.63	18350792.35	11023361.06	9501279.933	8750934.768	12967268.95	10574796.29	13943465.69	13920538.53	12132498.16	8441000.909	11361400.74	9754632.258	10837332.48	12798538.4	5681916.481	7754446.625	10413225.36	12361109.71	10252817.77	15279003.9	10415772.94	10541190.07	18206315.79	16455231.51	13904901.34	10296861.18	13745863.39	10625835.61	10371111.73	11769807.14	10851308.52	14143777.97	14296269.78	6099345.054	17019986.76	11114122.76	14300146.12	14066783.26	10355578.31	11845079.18
C33	Bis(Dihydrocaffeoyl)spermidine	473.2526	C25H35N3O6	Alkaloids	Phenolamine	-	1	10667161.81	12142152.16	12241545.53	16839214.1	9954734.052	6862798.405	10382601.23	11509217.45	7691665.616	9800397.579	17824764.62	15412330	10093075.55	6149353.942	5686375.065	24203874.4	12428738.26	7783923.004	4637295.496	9061019.816	5264966.512	14123231.17	15868544.33	17325389.57	8474166.971	10089831.58	13981302.78	6023135.166	9813869.316	11040420.56	9039359.824	10742001.27	13204924.66	10688523.52	14473211.98	10282822.44	13955040.14	10351284.71	8717807.734	8210464.152	9122716.68	3751194.282	11889134.2	7815459.582	10697648.71	15263879.51	10074979.5	6299296.828	6990771.156	14203502.92	8002965.326	9518456.549	8087990.036	14051861.07	6232127.308	9191190.718	7942468.918	9630498.873	9305076.639	7936209.163	9991833.862	9472839.444	13238720.66	9921635.561	10331673.53	10523260.39	10922554.12	4858799.837	5856160.076	11644812	8054842.741	7653951.417	9906514.924	4370210.058	11524830.57	5592119.467	18377684.27	18472454.6	9324366.304	15769994.76	11972545.67	10679067.11	14216335.41	12352369.17	24508021.34	13224644.33	17153524.39	14998376.62	11471712.8	12659503.47	16825873.7	18486474.62	10592102.82	32049998.52	18425098.45	12591062.3	12520151.58	12609304.31	17676264.22	15290362.36	10819461.44	15274343.61	17265886.51	8519388.911	18729233.64	11027532.67	11393040.98	13321566.46	11378736.89	12143241.69	9900529.801	11125552.32	9197452.911	8005476.214	14410066.02	6722037.475	19295642.99	19924893.5	11961901.44	8551397.776	14595523.76	36574766.93	11018618.07	13239410.34	14781946.36	16751181.89	7337323.124	8466896.628	11871605.87	12738048.38	12628073.2	13000235.89	7673591.373	10593230.96	10075482.2	12343300	16158875.62	21872159.41	20789517.29	22818896.44	8871582.222	10201811.8	12458837.48	12614992.45	13590152.71	4627522.715	16234986.77	21661670.73	7425323.478	14190834.72	15883205.33	14528395.46	8845823.891	8120583.466	8509667.707	17108102.39	11650131.16	7299906.267	6333545.592	10365605.95	8864712.628	18225906.79	13478140.18	24419573.04	10645951.74	14122925.07	12371330.01	5986271.037	6928528.231	13893893.41	11919637.01	14667361.42	6806467.97	9049605.594	15957302.67	17879766.65	13619218.36	23646184.86	8251943.508	18357141.9	20162253.59	18038652.91	7828643.932	27392216.12	10029184.32	14368700.79	14637314.38	9602602.543	20125554.07	14028374.57	24356969.35	15517593.71	9077860.966	9649714.844	6892522.168	9136623.99	8859888.986	11083462.93	11293611.49	10062822.49	8890853.095	9836506.701	12021287.99	10745337.07	7322247.569	11433492.92	12756210.84	9452107.677	12776396.73	6877644.223	10682957.91	5000886.426	8343278.303	8823602.907	12026598.69
C34	Bis(Dihydrocaffeoyl)spermine	530.3104	C28H42N4O6	Alkaloids	Phenolamine	-	1	1747584.274	1456065.678	2474111.296	3626546.643	997149.7348	805713.3597	1040771.313	842648.6444	409997.5253	809482.555	1135078.826	1149878.644	1245838.11	1016830.11	255319.5488	NA	676296.3495	773040.9111	NA	1368944.977	666767.4689	2177968.81	3922969.143	301862.322	1498618.18	884011.1676	1224140.867	595255.3609	1156856.984	1545814.735	934278.6444	832925.7549	2223667.075	1457108.644	1418356.333	1608585.356	2275450.666	1739622.81	1327026.643	NA	1619257.31	808366.3233	NA	713021.3393	1167138.143	1169994.098	1133719.61	1325613.421	867122.6433	1308320.359	1101865.31	1205463.477	806715.3111	995871.81	477925.3111	1715070.643	424627.2868	859417.5333	825803.1433	790207.6098	1417167.444	1888183.596	1419545.222	1088337.943	1307985.311	1975594.046	1002964.753	661123.9767	735379.31	1536700.796	1089888.643	546746.81	1944478.331	574056.5211	1022410.146	2073365.311	2307316.81	1755791.31	1156145.896	2350225.554	946842.7822	764557.6386	NA	1429358.537	1819949.255	2784649.89	2065608.184	2395257.449	2116629.669	1730362.479	1815869.943	1854426.081	2062139.667	4150257.236	3659109.011	1435812.352	2282891.89	1936298.39	1666557.932	2212715.392	3042608.33	2141994.9	1754088.505	968422.2336	1815784.558	1282703.11	1015222.812	2101569.39	1786257.635	3761068.487	1774099.344	441378.531	1800584.111	1306554.948	3858782.329	1484200.943	2750708.644	3026200.337	1849380.867	1879817.167	1452564.354	3671372.641	2163789.667	1441404.943	2603678.556	1843211.832	583265.4848	1094048.396	888623.2767	1892635.45	2015584.61	1236166.546	1143889.756	1695209.132	1782388.796	NA	2198395.832	3689237.596	2479328.031	4443733.993	1276284.111	1252486.9	913078.5556	867306.3333	1735201.432	999179.61	3281345.222	NA	969014.2	1673967.444	1915316.9	2202222.721	768985.3111	1368863.156	516957.216	1549728.556	1812642.39	1018140.417	1498752.753	1553613.681	1263191.996	3083204.203	2374659.042	1182956.333	2088694.443	1351184.111	1580491.943	796492.9989	1871520.417	2564571.06	1279831.485	1830108.532	779349.52	2022906.333	2800025.118	2062734.111	1832089.667	6073265.435	1621980.456	3146200.717	1549193.81	2109461.802	1694918.167	2769352.657	1582275.11	1597284.111	935073	1006406.333	5174321.596	1230991.277	3630458.564	1817653.11	1027011.143	1462939.667	862850.7533	1489550.443	1711922.332	2587034.111	3402870.445	2769423.826	1369017.444	850524.3807	1007156.198	721665.2318	1385241.978	2299395.667	2087023.217	861956.3333	978583.7077	900511.0544	1144981.31	1082417.957	2248795.222	1929578.556	1311233.777
C35	Caffeoyl-dihydrocaffeoyl spermidine	471.2369	C25H33N3O6	Alkaloids	Phenolamine	-	2	179869.7486	174426.7223	405975.2211	537731.2937	158112.3133	212783.5794	360719.1594	270654.0069	230999.4913	421171.7211	245302.2914	314725.9185	224363.008	199402.0053	118342.7657	561558.4354	290609.8049	256930.1509	88304.72229	92713.38125	134126.9719	400739.0943	291726.0103	579706.7223	154194.0891	274272.2211	408910.1509	149082.0069	124090.8812	593457.2937	193947.864	220506.3863	364727.5783	166264.4913	419927.9629	128096.364	325683.008	254927.9829	209888.7223	251864.1509	182567.1312	68925.605	201927.8651	67501.763	150529.2926	350237.5065	184330.0969	136056.4354	139688.4366	277548.2863	294776.9719	240852.672	160676.1509	219203.456	139674.6497	172902.7657	191683.5291	235942.4366	272101.2926	121189.2669	240387.6685	145268.48	309007.0783	332163.6497	200103.2413	126649.0783	251115.6497	120859.9354	27003.263	309007.0783	102537.9852	233047.5794	101069.4905	50183.4905	318445.8651	64826.681	349531.0783	473274.0069	99763.97875	243155.5783	417854.6063	302684.8528	346703.9451	406739.008	632735.9589	252587.8651	401568.6183	232292.2729	267759.4354	233024.5783	727416.2234	284403.2211	185796.8491	934695.8034	667868.0057	321735.1954	267785.8651	282759.8383	486983.2219	531072.672	12539.786	278179.6731	191097.9787	216792.2956	502269.2937	337091.0344	268559.9086	167896.7211	140647.4905	467531.008	200449.536	335077.2434	NA	202512.1731	285426.9825	128262.7657	321372.4377	170330.9905	245326.5069	125754.3151	411457.8149	1299864.375	257196.836	374895.5794	407422.5069	516692.5783	160095.3387	144883.0183	412569.4377	162308.9463	95845.167	416147.2937	164966.0344	97963.9185	247497.4354	258871.5063	416651.3371	472597.008	390880.0969	902951.9719	96681.97867	222893.5783	338495.9082	455387.2833	382856.4366	52074.3825	280265.2562	677408.1509	102351.48	214578.98	247302.7657	330578.7196	224340.864	170093.6132	158489.364	326304.7832	115553.6325	62371.90971	107845.008	171468.336	218037.9094	311298.3863	201948.1468	291882.7833	170791.2926	304817.5969	272101.2926	134639.9086	57889.09875	157765.8562	173572.2844	289468.7211	159270.0333	120148.1509	218959.9086	503223.4924	311989.4719	NA	120497.286	352844.336	524652.6497	736570.128	99929.98114	1207771.507	234601.8557	628857.2211	217542.7657	226068.4097	263174.8446	361145.008	728496.1954	254362.836	213999.9086	NA	206544.9082	169269.1594	193636.6583	297380.2562	292599.9082	61913.628	151267.8651	282051.1954	343018.2926	316243.5069	110821.48	184330.0969	473274.0069	286602.4366	237366.4354	233941.9912	382307.1605	151976.5783	118385.8813	97410.64667	249428.48
C36	Cannabisin F	624.2472	C36H36N2O8	Alkaloids	Phenolamine	163136-19-4	1	98513.01814	75436.13271	300970.886	280822.08	53302.27929	70745.28	74867.67643	87936.35229	67112.64	115462.883	62947.2	69249.6	115820.2023	83124.0355	44219.2865	144665.8291	77535.05987	168249.5137	23303.04	139926.0106	53639.69671	197703.418	209411.073	150361.8721	75507.71829	198620.359	65607.19557	78212.03957	63683.64186	148371.2081	56419.443	38872.647	187110.714	123612.712	117637.2119	245950.9147	103391.258	190366.403	249047.4139	38363.57029	135357.3267	30386.18275	220579.2281	175509.308	128083.6813	106919.028	109426.56	80898.24	176113.1943	74518.172	67367.02375	53272.50471	97993.92	77359.68643	41941.155	111006.762	106609.3721	66393.8215	87614.80014	79808.38613	218142.181	46558.5055	78122.56	45480.0905	121838.429	55144.32	37774.26125	54029.07057	35200.02182	191570.2083	68638.94871	59633.28	39297.76009	31959.98543	15822.72	68039.076	88936.86143	70316.00143	115519.8924	76717.542	82607.86	63749.69714	33212.67371	97112.82375	108539.2726	290267.5081	92156.14143	202166.5179	107649.1389	92345.694	164114.0101	70262.71688	142357.0866	154532.2897	62446.71829	51109.57714	169826.228	132148.6914	150013.9646	159641.4606	178350.9559	132611.2686	227390.2877	58562.88	53862.72	94491.4085	174582.6566	101442.5005	35899.46143	107037.142	118311.6415	78344.52857	62411.52	81366.77314	122676.1872	79399.68	128302.2834	107620.5389	66508.43388	49512.8995	114682.8497	89388.80625	42483.33538	49025.3855	98419.2	58050.774	41567.57343	112291.7625	56739.07543	118357.2686	147866.7677	53992.48029	57666.20971	43919.22343	55375.48173	93172.373	48136.5	122035.2	83969.69175	74093.53382	89465.67087	72448.40433	43654.98218	48192.50743	109748.16	78206.087	110669.5227	53463.318	18916.86457	241034.5264	194269.4036	193097.3656	32182.827	67267.201	42819.61029	57498.54013	107701.7306	171189.12	109296.48	79080.405	28567.57517	57453.9555	253160.6	104529.2487	98150.988	105643.921	183449.8169	102588.48	229617.466	210515.6665	67861.44	141461.826	48311.65473	60700.8	55180.935	73576.017	81285.568	351339.3115	74048.17929	202303.5077	228620.16	115534.7216	75669.72	90629.7005	75051.12318	98504.95964	44411.549	150579.634	252264.3235	67681.0575	97084.722	58671.369	38008.43137	70276.7745	170284.6218	206664	79354.08857	69979.60091	127199.3119	137513.5878	96218.91987	88589.76	94824.5545	94114.78545	106301.3283	158643.511	68608.32	158442.1041	36796.98425	58892.9055	129439.0671	70584.56763	220181.9105	174753.9225	93202.01545
C37	Dhurrin	311.1005	C14H17NO7	Alkaloids	Phenolamine	499-20-7	3	22499.5948	27430.03013	21317.45222	26806.962	14634.46762	33415.48	27071.07	46200.0936	23109.34417	18232.14667	12223.3296	15240.46875	23164.84262	31698.46875	14577.42488	14598.51083	15814.34417	18853.9275	25534.8936	25534.8936	30479.71875	26756.84417	20574.54	54718.2948	25667.74575	29750.86237	35959.21875	17610.29875	17612.11237	41893.926	18760.20667	9217.344833	17068.59375	36430.926	35867.4936	24288.42487	18897.7165	40219.0295	25602.09262	34132.46762	18232.14667	25292.72425	30542.3284	27337.14444	31460.54	23598.42889	18230.47889	33389.04875	26713.42375	21276.7924	49974.59262	45557.97889	34741.78012	22553.2165	20727.59262	9181.3392	19719.08575	15851.19733	23088.70111	14721.13125	21385.3296	8516.4936	10947.6936	26820.71762	15347.4325	32304.53012	28573.8936	21946.21762	42053.53012	26211.40512	31085.90512	35954.2795	22139.81438	24003.38588	17003.42375	33271.81667	24910.53444	17005.17487	26456.07	9209.9325	25877.83575	25804.94889	34458.07225	22606.9296	19078.00862	27424.7795	NA	48592.38	11585.864	17677.96875	20729.095	24439.3296	25581.08362	23996.2812	29861.7795	16498.9296	15242.2165	27428.53067	20774.5296	30802.3908	34097.45637	22229.6415	32722.8915	26819.19733	32301.2165	21888.0936	20661.48	23698.14667	23267.1452	29257.96762	42442.38	48592.38	18219.04987	23297.81111	29161.47889	24383.46762	17549.03889	12914.85417	32913.84262	11584.2795	17847.88363	20308.13362	6670.188	31691.9665	32298.7795	14588.14667	25520.14667	27325.926	21946.21762	35684.69613	14526.76222	41133.20556	26716.17488	26716.17488	14526.76222	46745.11237	36481.2948	20054.14667	20054.14667	13990.59417	29789.4936	13920.70556	21266.86778	19504.5295	10329.926	17071.71762	31012.26083	21727.8585	21253.73737	63739.36238	33523.15512	21266.86778	26125.09	24518.52837	24288.42488	14622.84222	17636.3948	53622.5295	37172.7795	25502.29988	21874.14556	13444.43333	51600.61238	27358.2936	18241.2936	31695.21762	18897.864	17068.59375	37697.0948	7406.934667	12098.6285	37663.36778	17842.38	23719.296	26187.23	47542.21875	20054.14667	9906.476	13920.70556	21860.67487	23695.97889	34475.57788	36655.3296	34002.926	15182.79875	28247.684	21999.7308	29325.7296	15810.0936	21948.46875	14666.5505	29766.03333	21336.90512	22003.332	31668.62	26815.5295	29865.864	20708.73	40219.0295	18557.43375	34735.7795	18895.2795	42662.84262	22603.216	22483.48	23776.59375	19552.9296	28039.34262	28639.36167	19456.8936	28536.98738	14055.7296	34630.14667	36569.71762	18899.65513
C38	Dihydrocaffeoylputrescine	252.1474	C13H20N2O3	Alkaloids	Phenolamine	-	1	332944.8022	270600.3465	415043.1409	4180346.865	453351.6535	221488.6373	458979.8818	236814.328	605413.751	240062.0291	392192.688	375097.6	222375.9773	170946.6909	123681.92	592561.4546	303130.3484	229048.7515	220584.6163	265199.6522	178823.2361	1729212.788	408529.3467	266270.0536	260018.0291	451837.5136	262143.2367	124855.168	386652.0197	492019.9936	195606.909	259098.4918	541596.328	232770.0417	299844.0404	453620.9127	2369077.085	361449.9339	233119.7482	237176.9744	307786.7636	78378.3	378135.3261	175919.8279	611371.4339	417365.5	250479.6946	111870.8086	398037.4462	255916.7768	219461.2172	408042.6703	164979.9237	353371.0833	146016.1423	216337.5818	260122.576	274144.6252	217512.2437	219978.941	775215.4612	245964.082	716382.6937	335327.8808	287464.724	251362.9063	276356.0004	261029.708	141517.4413	410728.0819	324392.2909	191761.7091	183312.9615	125746.6124	299213.388	149743.473	303468.1459	496944.6933	303661.2892	521455.6	390357.945	338268.4112	530761.4558	325122.408	635079.0723	568975.2211	592398.8533	404286.8892	232722.6364	403789.9568	670432.5818	603574.6693	319675.5947	575442.3742	484764.5363	489076.1105	734152.2385	487800.1818	1183543.653	544713.1825	258634.8625	312276.7722	350896.8137	436431.7455	544929.1091	357238.392	326007.7808	281733.1175	313422.5841	4168000.108	230028.6475	260020.9892	399496.3496	228853.1625	209583.585	174085.7225	376124.742	642268.2962	163639.4727	247511.5453	505810.648	2137741.892	194834.6125	289097.6127	1425891.547	319110.9625	200858.3475	234877.7645	699243.1525	337565.0243	609941.7526	231546.8145	147920.1091	248665.8909	531098.106	290791.3646	696232.0775	1513174.078	1089279.122	689717.1787	279807.9375	231419.2892	315533.2182	298696.086	392629.8536	132080.1359	894891.7769	863705.349	117301.6005	390637.1891	1280262.576	842661.95	304606.1413	218607.0165	532967.1573	311548.4727	419778.9925	92583.68136	130836.033	197718.2133	155416.268	773689.2431	239962.4709	490395.125	297191.8292	240029.8545	310720.6244	396597.5695	107541.9908	442087.7197	207634.7075	337283.5753	148400.025	135520.6545	651432.8182	2331612.745	468380.9753	617352.7727	203274.1455	1272418.351	349286.672	579874.5404	352932.5882	1061503.545	158989.8909	379099.4418	173701.0151	428795.5873	559823.9895	271250.6727	394888.4467	333225.748	264096.4205	311328.8545	305382.084	530136.5429	257744.5818	236043.4	935070.6232	498668.8479	149185.608	240183.8647	169466.612	306282.4818	309113.8727	211909.3273	326933.4345	254866.4727	266389.3305	160962.8003	212774.2069	144377.1636	521931.9903	332053.2108	792032.8909
C39	Dihydroferuloylputrescine	266.163	C14H22N2O3	Alkaloids	Phenolamine	-	3	238978.5556	222837.6673	301656.7922	233504.9173	331288.0423	83828.55556	133014.6321	261923.2911	138684.9173	128411.8889	200910.5423	113794.6673	220550.7778	207451.2934	120089.6667	173589.6667	149797.8878	159308.11	172400.7778	130777.4433	122684.0422	221386.183	459474.4989	119356.605	277102.1	225879.6656	119733.5434	127148.4933	245092.3667	182673.9251	158241.5423	142962.5589	177156.3333	211653.89	437523	331711.8889	263700.9786	182539.1673	58087.91725	48013.29225	192634.1059	208443.8137	181965.7309	128399.8878	562950.7778	175326.6086	104634.1111	160019.4172	140300.7778	219341.3878	146389.0423	394064.7286	190856.0434	177798.1673	125977.6611	187808.4778	75850.03778	127425.0423	76008.85486	145479.8267	132166.0422	126832.4173	350288.9809	107049.3362	225824.6059	213397.4989	167325.9977	142848.3559	413991.2556	142818.2286	146981.6673	181946.5423	144355.8259	79796.62987	190251.89	222928.5556	213417.4444	98979.04225	176102.2672	321806.0423	111616.189	NA	225193.5868	117084.7771	210051.87	422048.6695	378703.5591	376009.881	164202.4195	188465.4173	290989.5423	344325.7923	462391.0478	143098.6194	193837.4263	159725.4464	263659.8464	205815.1611	283315.2934	247097.3557	625882.92	116071.5503	333055.9424	221629.0411	275639.4195	205058.9173	78509.86833	168255.39	336112.881	877688.2923	120985.8877	221433.5223	616998.3559	139635.9424	349066.7923	173038.9161	218689.2923	385037.5674	135129.1673	217504.0423	137708.9014	409904.2571	51182.89988	176594.2911	426700.6672	146389.0423	165945.6673	103495.16	126226.4786	410508.8196	112351.3878	75866.66725	133943.9173	142833.2923	200889.3536	340628.5556	595598.7922	750795.2222	374549.6673	616916.7846	209799.9173	130911.9	112609.4173	110238.9173	151145.9809	138201.8111	557670.7922	171871.9173	105191.4395	183783.3562	254514.9285	332438.2286	106028.9505	81294.97333	401785.3385	126530.2005	321864.5889	180959.8267	173038.9161	244764.7922	170686.6673	280469.8799	309123	508856.3333	162965.3536	206836.7923	98376.04112	383282.3667	219719.1456	113670.6998	197961.8889	133351.2923	74968.881	180761.2923	411885.0422	775245.9184	159443.6059	840296.4933	250691.0422	341991.3559	137485.1661	73645.48913	258084.5889	129400.7717	174835.0423	94899.7005	78245.41837	112354.6033	357956.1673	221652.4173	202913.7113	220285.3275	98386.41725	250691.0422	149408.31	330102.7923	279137.0423	153758.4933	436775.2922	297394.1299	166767.8267	89767.81	89487.60363	105139.5091	243579.5423	140462.7923	216463.5874	171411.044	138922.9333	124520.8216	53032.28343	210636.6171	404180.9173	156715.16	113202.0423
C40	Grossamide	624.2472	C36H36N2O8	Alkaloids	Phenolamine	80510-06-1	1	543950.818	316922.1095	684985.7509	975534.8283	172354.2199	191186.6565	265145.0746	246239.5	236910.9357	415673.2127	239953.4234	206652.875	543547.224	338754.9011	137501.3769	605998.9354	174549.441	513581.7825	102518.8125	576988.4573	181364.5371	940445.6265	778057.3125	415963.9338	281648.8418	694827.0492	154915.8662	190354.2633	241461.8957	526335.0215	205577.7425	150149.6129	675874.196	518519.8705	768953.367	1415747.581	334575.4012	613136.646	801483.228	120410.2235	459083.835	124504.291	1023209.649	803604.779	592989.4578	252813.7128	402733.5	226737.0625	871225.044	297083.407	181943.5212	264863.7938	390316.1208	310963.6412	141150.0347	619367.579	499560.851	178383.0373	378347.5302	372739.2812	1069173.412	202867.2711	352903.223	123104.095	427883.75	209089.734	113923.7242	194722.6562	152864.1771	483028.2188	218309.2588	180204.1681	103399.7797	101982.5603	56767.53	221255.028	249658.514	207002.25	401466.0462	210589.9025	300207.8871	191032.6281	69314.78067	282850.7542	277375.3354	979885.6468	273684.676	511586.8796	651759.1655	291402.079	717411.1038	169562.8021	724818.1011	398953.8011	172914.7135	176364.9895	520450.5015	448798.2268	479259.4171	467809.797	366206.5752	407406.5498	742857.6982	188595.3046	244383.75	308509.8387	803350.8	304379.7515	144585.7529	284261.7705	461320.3889	277755.7385	235221.714	320227.3549	425660.2237	254560.6148	577402.6205	351623.4975	231359.31	189431.0504	286834.7074	186326.2555	129335.4118	140072.6977	280276.542	180007.87	136984.0114	408127.4902	165213.6754	293022.6665	455991.3676	181841.9304	138436.74	146581.901	216717.5238	358964.1392	243138.2208	522108.5023	275062.0317	181183.7858	586700.5078	305721.72	140596.1448	117582.6305	391556.8223	392637.0867	490962.0625	217174.482	105675.1453	762810.979	1043948.997	686492.3185	122274.9467	213681.7424	138333.5942	210398.1671	297871.682	546129.3378	362589.99	368987.591	81739.125	238779.7082	829849.16	399689.7012	426513.748	450013.8082	758438.794	319915.5757	903995.82	874011.1215	202473.375	387976.6773	200218.2286	156775.476	295020.18	358093.008	306330.2453	688546.4408	308909.2072	743301.8642	718514.9797	314089.2406	320413.275	236887.0027	255842.7723	271167.8474	213945.3495	462359.172	1076159.756	208672.437	205007.6365	176711.535	115802.0625	281512.6231	749035.3497	611371.311	211384.2225	143361.855	666695.12	487137.8192	312473.868	328235.089	273086.0112	310288.8727	636995.6022	398060.41	234637.4529	390977.3188	215350.4028	136821.0665	302803.5758	338488.8912	709468.4826	477746.9231	285141.4479
C41	Hordenine	165.1154	C10H15NO	Alkaloids	Phenolamine	539-15-1	3	126266.1283	176545.124	127757.448	494081.224	117520.3173	58024.78733	72096.948	145361.356	72767.044	64887.34	175705.0965	85590.75467	78148.0225	56002.492	66981.912	176881.04	97077.12	83519.186	48176.598	102609.008	43427.776	168864.4938	132477.8925	147876.82	71460.582	108390.9027	87998.296	109043.05	98754.096	151228.168	60994.52975	125869.3865	118080.0416	171173.816	165647.384	100933.644	164841.4095	100129.6432	91545.356	41755.37933	139493.676	93219.728	74612.412	81651.892	138369.6864	86347.772	115184.468	76037.5622	105125.216	172353.552	140471.8425	105125.216	73786.1595	154247.072	69211.82533	114244.6256	78607.27667	63212.1	72935.436	131949.888	156624.212	68742.996	182411.936	80144.176	128094.232	143180.94	126776.642	64554.696	74443.152	180067.468	70014.89333	66731.84	164504.5608	36387.428	125121.412	72070.21267	118894.5568	123162.8647	79976.652	76454.308	77723.016	64384.768	207883.28	98084	148546.916	94967.38767	143131.9237	348792.0355	73270.484	128764.328	123849.6072	193980.64	111327.944	229638.64	208567.38	129435.292	169832.4405	184462.1625	164138.8	69864.96	102969.62	167323.492	156567.065	112132.7025	110321.932	97967.5025	104696.2867	159307.7152	324583.392	329612.584	92719.76	121698.8718	108142.384	115374.141	102450.1947	109315.92	178342.7976	162825.778	240800.7838	96908.728	194822.7097	310835.14	68086.839	95232.62	171683.456	72111.65967	75114.116	185766.756	116022.088	67055.40567	135136.316	126214.6893	104285.86	72476.66333	42843.57667	163520.6708	144484.945	224030.4	139351.168	153408.584	76074.14286	94100.28267	125242.852	67139.226	124572.756	81752.2485	298596.34	259824.3384	106147.0305	118536.684	153102.0598	158970.8665	85867.50725	80814.272	199850.056	107850.61	95191.36	95568.536	125464.4591	97915.608	109986.016	190113.8325	117475.5645	202698.832	155456.4045	103520.56	156426.62	115552.2025	80478.356	219682.3068	116860.576	198964.09	99557.82667	140499.688	189714.0487	245106.4	141001.392	361445.9592	70588.364	175204.064	206051.048	233715.076	95125.49133	150056.368	66566.052	153390.5803	152402.572	111864.7676	247629.116	205966.8426	254337.02	169469.52	91729.62183	68072.9	58853.004	150658.5859	74122.33367	127065.18	118952.62	130236.39	83497.26	76456.044	134147.5627	99424.192	132561.39	67414.878	75463.65117	87520.44	90538.476	83123.92	67428.68833	50647.97517	98740.6068	94562.524	120560.204
C42	Kukoamine A	530.3104	C28H42N4O6	Alkaloids	Phenolamine	75288-96-9	1	NA	NA	399305.7807	762958.7956	170712.2307	177703.3056	147538.6562	NA	62799.57818	154774.4967	NA	216559.0467	NA	170726.5318	NA	NA	NA	NA	NA	233935.1956	100300.7329	NA	565230.0807	NA	NA	NA	NA	NA	192795.6807	280666.0735	NA	55511.724	253527.8044	343240.26	NA	314393.1333	254829.9251	256517.3498	104614.6493	91935.7318	235669.3567	NA	166843.6691	NA	202745.5956	151419.6187	208928.1318	277720.5956	169222.6225	220121.4445	NA	236188.4407	NA	185335.9445	85369.8318	337465.8142	96158.92145	NA	136691.7807	NA	334701.5956	NA	NA	184439.7807	278661.1691	416017.5807	NA	NA	NA	NA	191345.2589	149963.1956	383329.7012	88373.57667	179695.0829	340843.0318	NA	356929.4307	181063.2661	471578.2898	138168.9726	NA	NA	250177.0851	380026.6551	462649.3829	388390.9647	NA	346870.134	NA	364168.6691	NA	352496.4716	724516.5215	681110.2887	276625.8676	479950.6545	379117.5327	NA	NA	437138.8189	385801.5124	NA	NA	393403.1829	NA	188370.0327	407819.3509	NA	778273.3818	NA	NA	350737.0182	NA	NA	201748.4307	410777.8953	NA	NA	358450.5625	331435.354	635288.1726	370656.9807	256956.0927	400499.4807	450109.1978	NA	NA	NA	390638.9669	312482.9445	NA	213484.1236	361041.32	298946.1669	257115.2589	363241.5636	NA	347976.6807	718850.2482	213088.5807	191778.5428	148893.7135	NA	312627.9273	183799.0473	630473.3655	NA	NA	397025.9862	392540.9062	460998.3665	101060.9862	232091.2616	321118.4307	400045.9418	312269.9564	174469.1535	303131.2124	284021.168	NA	468758.255	470479.5018	216147.7898	NA	266472.4564	262030.2807	NA	331922.8211	524158.1501	NA	315734.3509	NA	NA	370925.8342	NA	375529.8055	912250.6545	292642.4564	596064.2909	298438.1307	NA	298590.1836	513303.1382	313359.3807	350990.3318	211724.9445	147435.0807	929993.8482	NA	721371.0614	367353.6524	242167.5316	315782.3531	109444.0916	306794.0307	307213.009	NA	441682.1307	429527.2715	241001.509	153079.0771	185949.9396	127305.3665	244746.1091	365362.6482	416369.2482	NA	NA	199263.1382	257905.6945	NA	416355.1836	276305.2	NA
C43	Lyciumamide A	624.2472	C36H36O8N2	Alkaloids	Phenolamine	-	2	211965.3416	217882.2484	660304.7186	603261.8066	124284.5757	114288.3263	171753.0263	180872.5191	173124.7423	265615.753	154023.65	156555.8531	249729.6993	270257.8464	96169.047	300837.1276	154943.4547	353311.896	57785.74457	274498.2595	116727.3857	398411.856	468407.452	348776.64	151197.6994	392183.9786	125693.7126	184743.5014	179492.5015	278635.9879	135467.9119	91916.60657	447831.36	229096.3552	293866.5365	538715.0105	229286.9217	426504.557	503971.6697	90706.53086	272251.3775	72038.67775	528789.1394	350325.7804	312407.1286	208247.04	257622.9897	177996.9555	387638.3071	168876.499	153434.6557	168203.4025	190447.2911	215086.539	105534.9225	235720.352	228723.2213	127809.78	204973.1619	180289.1636	439740.1003	106540.3757	157516.36	96370.41562	294166.561	117590.3829	83480.92875	144828.598	98765.03288	387662.989	150909.053	127371.9525	81546.52114	77522.09571	47570.88571	157866.5006	192708.4926	175668.288	211462.112	160105.2223	197651.0811	140813.7557	80844.46343	208842.1873	185610.9616	611224.8434	175142.2293	395111.197	260550.297	221218.5004	300665.4371	166159.6965	372844.0835	365931.1466	158514.2195	124388.2577	294361.851	252848.7257	327748.8829	310701.9806	331124.969	258650.0331	420840.0823	119774.9643	113658.855	168497.1941	361305.242	235653.7935	107456.7003	236926.2026	248364.2435	163515.2734	129804.333	171922.0961	247317.9245	167421.9213	288140.1894	235372.4511	164542.9463	115175.86	215249.791	188549.0291	100406.5411	126555.0266	166154.1557	129141.3043	99316.6165	230223.5033	127290.0259	256068.3434	268554.5906	132009.6	164932.2529	111581.355	112373.3553	232514.6777	118717.2963	369104.5369	204726.9429	177186.5829	207133.9688	163440.4362	86166.38388	106309.6119	267363.538	161600.147	263582.768	113885.057	59079.893	497192.6071	387556.4304	417575.9174	89490.667	165023.3194	101780.5666	157328.521	211554.816	293563.7143	255756.0709	165794.5721	63038.9145	110759.5666	470930.2829	218237.9355	253425.9006	229583.417	376910.6015	198544.3314	407892.6494	438917.5777	164759.0014	260704.2634	122283.1972	153271.3016	166240.0899	183132.1131	200553.4885	599084.8819	149346.6814	365069.6657	487905.7997	192408.3356	170517	223801.0927	191120.6354	181624.2414	118902.2049	281791.236	506428.9895	148056.354	231603.4765	134392.639	83350.944	184033.3985	376349.2355	369696.2451	181461.1103	122896.622	257305.824	267067.1729	187461.262	173580.4457	227566.4851	209707.5023	235347.9951	297114.5757	145687.8476	305818.1105	106194.2996	122886.394	231607.342	143751.3877	407784.1534	302267.8015	181515.7454
C44	Lyciumamide C	491.1944	C28H29O7N	Alkaloids	Phenolamine	-	3	11267.75212	13562.1815	41535.50222	72300.109	20499.90863	5871.8255	11131.4385	9879.582375	12994.92167	17535.03143	11138.4	16298.002	7633.815	16542.39167	NA	23467.18833	9135.651	20200.40425	5660.915	12024.9045	6209.239333	24219.49563	29431.04889	50155.61675	8847.648	32878.8135	14670.439	4493.297778	5966.236875	18657.317	17696.3185	2028.845	25408.90825	9309.218462	14745.94275	13754.5415	26179.45833	28443.548	21540.3125	5637.306667	22260.7585	5744.8875	32935.87542	17835.7465	12939.2655	13088.1205	14480.94412	14382	18965.8385	12465.998	16607.2	9411.870375	6991.93925	14926.5	4206.376	11207.27758	8935.754462	4683.101667	9603.900375	9727.9945	22530.99	10949.82075	14830.2	5012.38425	21470.8875	10101.3045	8644	7708.4105	3132.048333	22528.28287	9430.361833	6812.540625	7679.1975	2124.829125	4033.183875	11736.41083	24232.551	10645.94325	12996.02925	9819.236077	14975.325	13187.73713	10495.0035	20445.6	10785.56967	23748.74813	8726.647222	18289.6955	18659.42513	10018.41	18915.50925	5654.768	13385.7	14551.163	20816.4792	15215.4	13396.231	14254.005	29625.162	24538.66629	10120.209	22039.1865	22808.42438	14211.02013	14671.935	18602.03175	14713.245	12405.32677	10396.728	17282.99925	6758.670625	9628.01	13233.395	8110.728333	7506.005	12121.0845	20516.722	8130.519385	15583.59	11521.6	15672.58092	15398.4	7300.3405	5871.67425	21086.49	5167.568	8728.9015	28531.86525	14961.16075	9488.61	20998.60763	8693.943429	4953.090125	5922.3436	16217.70462	7196.91975	12904.59712	18464.957	10819.55067	24245.35111	18154.00125	10085.3655	11571.63075	3266.823	5087.233	5967.969	10359.8565	13544.89467	6244.016308	29147.84825	16371	14638.4025	3902.460833	11744.71425	15361.59987	14156.9025	9351.4365	22348.41083	18981.843	9094.7422	4917.453333	18150.88315	13755.343	27895.487	12984.26222	13252.46154	21849.50175	10486.0245	8382.1125	20607.33889	7866.5865	19271.6985	6714.422308	NA	15293.4215	32116.105	13272.84	32116.03463	8236.42425	37956.495	27491.87467	14774.04875	10295.2675	17651.34277	8801.5995	15504.3	5878.19925	37627.47838	18588.06785	8890.265333	6053.74575	5270.981333	8120.183077	10037.08867	21077.12962	17333.1975	9196.467333	12214.55775	19153.06615	17229.645	10816.416	12533.395	10562.4	11157.54413	14910.19385	13288.13237	19585.45975	10372.02037	7108	5678.54325	12482.4	10179.99038	9825.0075	12000.8	5639.22
C45	N-(2-Hydroxy-4-methoxyphenyl)acetamide	181.0739	C9H11NO3	Alkaloids	Phenolamine	58469-06-0	1	1005711.459	466112.4635	4991048.264	3647203.885	4116786.558	3918046.436	5547956.847	263409.256	3805670.137	8003531.878	2455357.138	4878214.515	3048447.027	6369612.145	2537305.692	674963.3257	10725392.96	5081612.353	11069349.26	6141064.882	1657808.98	7046210.791	5665687.143	854994.756	2618460.037	7721980.162	3578497.797	6441734.393	6083583.856	8214935.43	1777068.109	3686294.171	5322022.926	1537079.398	3978732.529	5970036.657	8688324.661	9474690.557	5368475.152	7256861.672	4918040.505	1650381.107	4188637.272	3976627.776	8024976.68	3901781.652	2127643.44	1406759.868	798858.6833	9258384.856	1744004.038	5370130.387	3504982.656	774581.3988	971465.5229	7402674.636	3967915.488	3274644.108	508717.144	822561.7791	4895530.515	906427.7508	2367833.966	10970385.91	5036145.544	4079585.788	5797985.78	2773610.3	753095.7852	2883099.128	2183873.666	1282224.643	5118361.328	1165653.332	6345042.049	4749961.47	7037441.772	8761834.544	1852823.306	5162826.116	3500627.004	3538774.176	3212140.943	3002666.238	2599182.104	6660468.058	6330035.668	1036247.863	4650781.621	1519522.565	11316899.21	952110.5484	3312919.82	2290300.328	9428557.843	1728412.967	1425852.033	4572858.292	4380460.393	2681788.23	3733488.057	2975925.94	5326095.249	4948072.986	1491028.222	5441975.028	5907854.717	1672034.258	370842.9045	7472193.872	410630.836	1092305.312	4589537.072	4541439.29	2171205.103	2146061.26	3048728.576	3681457.149	1163529.906	5133983.203	1099167.435	2965403.813	3898156.205	958071.768	9197372.633	2639135.101	2925328.048	864648.088	3693968.134	2150125.817	2122773.856	498514.1744	568961.9267	1906434.892	2851833.324	957271.4842	1903488.858	4879613.684	2576203.888	13593922.84	1416969.774	3621585.745	528630.9	2375420.19	6078501.26	4011689.451	3279614.836	1582437.208	598533.334	3941792.026	2013233.051	7525156.823	3739699.606	2100403.597	10421340.8	2442314.687	4251777.819	4874372.116	3616032.316	1512812.484	1129230.772	5736121.959	4219194.455	746763.4812	4570378.571	639430.288	3447190.018	6176527.5	5147607.414	3475985.336	2041092.61	847727.628	3904193.906	300399.4767	3136612.126	3826060.326	5579269.934	6741957.793	1575430.879	6219797.707	2876062.448	1898652.03	2047578.836	8295641.046	2389078.362	3766279.104	658933.8176	2097198.516	4675974.266	735005.3886	3360611.219	3461785.588	335370.4194	2871279.774	8269177.711	1906459.179	484223.3267	3388736.07	10233662.14	5836642.955	431672.024	2543143.477	614958.7876	4955983.506	983606.7968	3820107.43	2772894.254	579862.1664	741138.0731	4666914.596	2240676.188	2274390.911	699440.2344	7828411.642	1767971.38
C46	N-(4-O-(Glucosyl)-E-feruloyl)-tyramine	475.1842	C24H29NO9	Alkaloids	Phenolamine	-	3	14032.008	31277.0836	68416.82925	65540.6244	35140.99312	9953.253333	36430.602	15266.6885	40585.1824	21263.95425	NA	38531.20425	10694.68	31225.82925	3989.658	39671.898	7990.3824	12069.8412	9359.678667	7335.499	24408.6046	47702.92275	109935.2475	28679.56288	23416.0256	42268.4496	31164.11812	19937.658	12608.7584	22841.96625	35278.155	39208.158	79571.4232	12748.032	21163.898	4681.7595	40916.032	31238.77371	31886.95313	19261.0668	49146.624	8688.008	37104.92275	20601.76787	9292.18175	75790.69867	24884.59875	15981.65625	NA	18533.67333	5400.7425	13382.0244	3316.898	NA	2003.499	10692.008	21962.8836	16666.499	17983.00743	7354.7595	25956.27875	15245.10913	6721.5305	14624.08038	11963.658	30672.95086	6019.174	NA	NA	87012.32925	9298.656	NA	11294.63388	2024.541	16615.158	23250.624	24733.68	23711.09963	NA	14700.008	122210.9542	33483.034	33879.14062	81035.20425	19922.656	51672.29663	64480.58825	75579.68175	33947.155	31742.89912	51154.39288	25209.5584	41851.82925	61618.61137	319035.1885	37770.86137	36487.24987	26063.84533	52158.8232	47266.22057	38514.656	41014.72457	63677.93738	16626.02462	20718.512	41647.46625	71768.658	20505.94333	17945.01788	41141.19075	15246.54775	20719.7595	29754.08437	48018.0015	24813.864	35874.70425	29897.57925	25201.18175	23920.45425	25804.716	31228.76787	67446.55556	19306.155	33796.23637	62439.70425	61117.20538	11406.69867	11985.655	64359.31575	28588.14963	12048.69	37799.37038	33888.61778	17266.7656	19345.93788	15962.66	21263.95425	73042.656	13325.9908	170075.9576	18558.59886	20718.55625	27772.576	50027.62875	31916.96438	23859.67387	16638.53362	68416.82925	15273.88162	102448.7824	9970.158	35121.11138	6660.9836	29262.66	61938.36075	58985.55225	33261.97	22144.4496	36231.2496	26469.40587	23197.23637	27281.1824	26455.44333	16657.992	57309.4925	36699.60171	21870.29775	25088.24169	NA	38658.11862	6014.672	55103.1975	23991.6625	19423.534	11477.7	84934.16212	45768.7584	82146.42275	NA	91252.656	40653.2425	32554.07925	15307.5824	202276.576	13964.5752	31877.27667	11338.7505	36365.576	34572.46325	12836.5025	26582.658	22583.61	10581.288	35815.3572	41292.35963	20498.932	44688.44013	23437.0328	36231.2496	38096.9325	27330.499	10692.008	22791.4412	30099.5244	10810.736	31898.658	29310.48575	11381.81625	16666.499	4013.674	29558.70667	NA	14644.5836	33130.67275	7326.2836
C47	"N',N'',N'''-p-Coumaroyl-cinnamoyl-caffeoyl spermidine"	583.2682	C34H37N3O6	Alkaloids	Phenolamine	-	3	50593.989	37860.19875	45530.66933	44877.5775	11763.528	40861.336	35208.10667	31474.3275	25614.984	62805.489	66439.3275	16347.336	27395.0775	47801.57875	44160.648	75049.2405	11633.489	48141.044	47686.489	39050.0775	22122.984	35553.5775	72849.5775	18071.0775	18239.2795	11762.352	53471.98267	62373.45375	64691.0775	27981.3936	31434.984	50069.96	59459.07875	55215.48267	23903.70375	35445.648	13991.8275	43767.168	55949.8275	8144.489	30836.2405	117203.3028	20410.83	34058.8452	42858.044	16277.316	91517.20375	74015.0775	52890.816	40686.316	23286.984	23898.5775	51287.8275	34893.489	38811.528	68187.5775	23760.93875	11078.0775	39000.984	14556.984	34978.32875	47801.57875	73432.3275	29149.57875	34058.8452	114807.5775	83445.168	17030.044	61698.984	28560.5775	57187.668	13395.2852	78065.58375	14263.128	30904.83	16858.48267	72266.8275	23315.8275	24493.2225	64691.0775	56499.531	20285.772	28017.96	17514.66933	18421.128	57722.83	35608.336	30889.9268	61220.83	19849.336	30241.489	55367.0775	58255.825	35794.772	70518.5775	33819.83	39641.32875	62291.6852	51287.8275	19609.128	75881.336	28511.93875	32215.772	34388.0775	22855.70167	27395.0775	27989.83	22155.07875	32785.96	55245.989	19130.11467	13667.94	25069.45375	44145.772	53036.0775	50111.57625	57127.57875	63764.58375	21142.6452	36719.0775	22579.128	28852.2825	50200.00267	51352.668	14574.5775	46114.336	23315.8275	29143.3275	16342.668	85233.96	48241.48267	32879.044	26763.9905	58799.0852	39923.044	48716.49375	28554.45125	98221.816	44294.8275	62439.168	28473.648	35287.056	39582.984	22150.3275	32063.95375	31474.3275	70395.2405	94994.0775	29062.98267	65856.5775	41469.84	46043.0775	32106.336	31990.73867	11056.7405	47148.984	44778.989	13409.0775	46101.168	11624.648	22122.984	41717.20875	26223.95125	43712.0775	30308.8275	80425.3275	37769.648	18611.489	55367.0775	32959.531	46043.0775	44626.6452	36950.20875	80442.57875	27395.0775	38475.57875	42865.3452	52534.66933	42546.5775	37892.70375	44877.5775	98325.33375	32057.0775	31705.044	138730.0787	33730.489	55367.0775	43779.66933	62229.044	32057.0775	133952.0737	54784.3275	25064.0775	72282.32875	28116.19817	22150.3275	63525.5775	23903.70375	59266.648	40392.3268	50122.3275	50122.3275	61009.648	27360.984	22150.3275	50058.984	53717.33733	18653.8275	44285.32625	40215.5775	25064.0775	50251.3425	33805.3275	25686.00267	47611.2765
C48	N1-Caffeoyl-N10-dihydrocaffeoylspermidine	471.2369	C25H33N3O6	Alkaloids	Phenolamine	-	1	NA	NA	NA	78293.52167	NA	NA	NA	NA	20057.6701	37445.30945	NA	41214.55	11755.875	16787.2225	NA	75935.43778	38336.9712	20297.8545	NA	NA	14390.953	15004.308	15683.7345	74024.496	5253.834	NA	34336.0485	10971.14625	NA	51512.2225	NA	NA	NA	NA	36839.5101	NA	42051.17967	NA	22634.955	NA	31164.48109	NA	NA	NA	NA	NA	22925.7765	NA	11066.0485	NA	26840.0304	28362.2225	NA	NA	NA	26256.8304	15250.1931	14387.0025	NA	11051.93875	20838.4725	NA	NA	25518.1576	22103.5664	NA	NA	NA	NA	24155.8047	NA	21896.8655	33742.48	NA	30223.57927	NA	12244.16267	70986.2985	NA	53089.77	46013.52	42947.62892	20838.4725	25563.5754	56490.01891	20570.725	23732.2225	NA	NA	11472.294	103644.474	NA	22284.6942	140543.8493	133626.1018	29437.1429	NA	18986.7015	64641.20073	NA	NA	44628.40582	27511.588	NA	NA	62742.161	24294.62667	NA	22574.7225	114922.0677	15096.483	27859.08217	NA	NA	20040.3925	20042.7495	16208.4725	13284.81	21741.025	12850.336	45554.336	261405.4695	NA	42187.71385	65805.65527	31655.953	NA	NA	55649.6343	NA	16945.46625	78404.7345	NA	29554.89821	31238.4995	10596.63375	NA	NA	NA	146008.176	NA	19063.6006	NA	43783.32436	28702.296	12923.0235	31642.2015	100636.2473	15432.8055	56633.79185	NA	NA	16235.29625	13693.33	17628.525	37381.84	NA	NA	NA	NA	NA	44923.4695	32413.83785	NA	NA	33631.5756	48480.694	13487.87782	7609.22375	NA	NA	NA	NA	NA	21711.618	NA	35761.9431	21610.336	31724.36618	32413.4725	NA	79219.36071	NA	166908.0051	NA	42434.2495	25923.7195	NA	16208.4725	NA	89571.8925	13470.013	12219.65333	NA	NA	16051.38111	NA	NA	NA	NA	8765.84	NA	34437.244	47007.30444	16532.9025	29860.75625	NA	NA	26269.45745	15892.00875	42032.55164	14297.955	NA	NA	11032.983
C49	N-Caffeoylputrescine	250.1317	C13H18N2O3	Alkaloids	Phenolamine	29554-26-5	3	6813237.568	12769828.37	11111918.48	81576419.17	21174740.27	4899755.627	25071157.32	1495437.134	83918731.97	7707344.888	4574191.974	27048493.5	2491442.931	18084410.32	626684.2493	38069049.99	11774680.28	10102819.98	21000428.61	3786521.267	10031630.6	19132404.52	20706357.65	7018293.632	6398862.579	20592123.97	9913458.925	1529423.046	18047400.85	32032078.61	15280341.04	24771356.77	13311770.82	813750.1715	27977508.26	10633290.52	81045029.22	19913199.89	10495901.97	11348057.52	15192758.41	3411122.383	16936018.26	5785173.8	15304269.34	11354208.78	8187529.574	2486667.83	10027771.55	4561761.68	3775210.407	21999688.52	3505985.738	9258666.397	10669347.62	7739033.237	5963278.921	2834916.916	6851858.392	7271828.84	28440228.84	8991232.114	21862313.76	11315317.92	6252960.468	4349669.376	11790404.17	4252113.159	893066.9301	11413696.3	12230674.74	10808721.13	3806063.498	828861.9663	32216873.75	1601359.18	8474607.058	10677657.32	5362299.123	18666182.48	48770016.75	23078625.55	5697141.101	24437900.66	10394992.13	17258350.16	17654497.04	3234993.827	9250702.367	4342941.482	19797302.34	4986081.51	14043868.83	26125750.21	39682692.16	17388099.14	6489719.725	7980291.715	73607505.54	26000786.75	790165.4611	4785352.601	20481208.55	14906441.48	25481619.16	15445619.36	7439455.665	4667044.995	9032872.956	56248271.54	4766192.182	20981401.25	3511245.444	11681642.12	4697824.451	6920124.798	13971434.51	3305775.184	2298918.131	3343890.619	15505116.74	43371054.99	15046641.59	4303466.086	59479890.8	19327849.65	10426970.01	10688976.4	38474950.91	5136047.751	12504266.25	15326445.23	12763532.94	14115677.96	42123923.79	3607979.686	22273187.97	18622513.79	30612805.68	52509892.48	8601264.962	7705223.755	9375985.638	9491742.312	8156172.547	1816056.732	18009525.26	31480976.51	12821644.79	13373046.82	21420801.49	28590721.36	9398856.261	5587130.905	23304244.27	2508952.059	11615871.47	1130228.204	1750441.483	1678566.908	9735413.366	21519145.94	2712531.464	8345613.938	7064873.433	3886514.597	11169747.92	16343875.85	609003.0213	5491609.83	4985262.126	4679234.481	5587707.339	2705612.531	26094197.49	95131330.3	13833296.95	16130144.77	5965307.567	28873526.98	14417178.3	11392681.89	10498307.74	43802343.67	10792662.95	24147038.54	4179142.663	23189188.44	11315371.53	10198319.07	7245532.629	4615687.691	7796749.421	16862401.52	19424064.03	10598391.03	9319117.178	7323700.497	35155103.27	16318506.77	3549352.157	8033020.954	5003689.014	29397792.6	13718215.2	5421525.804	72248100.94	13564292.07	12474698.56	3825165.888	14098039.56	11723138.55	11689406.39	7559270.975	27974813.14
C50	N-Cis-Feruloyltyramine*	313.1314	C18H19NO4	Alkaloids	Phenolamine	80510-09-4	1	3960598.687	3791842.635	12266452.01	10246986.46	4727032.07	5374126.955	4559250.437	3841779.488	4027588.401	4979472.838	3482354.73	7637945.38	6774001.113	2226779.583	2162985.411	4551986.144	6405159.678	9866304.688	3584755.155	7353633.988	3999255.581	9053572.734	3495493.615	8645602.429	5222369.088	7243058.558	7191443.095	6112384.5	2366856.784	10287621.99	6142061.002	4488451.442	8064069.041	3930182.786	3841694.497	8807608.401	11868017.67	8141375.347	10536607.52	3324656.185	6520438.912	1406324.419	5168377.463	3631810.584	3247152.5	5970821.667	7737359.355	5204092.05	2716660.586	1663256.43	3196268.35	2602355.835	2941150.292	3912678.076	2210440.05	3419173.314	5360621.831	3707358.845	5507310.468	3089522.835	4963670.252	2348275.62	4301546.26	5559527.675	5768808.833	5473053.413	2469637.76	3557624.648	1338824.669	4405587.372	6967262.708	5929357.512	1162966.915	2203882.56	1585661.983	3615337.552	8327467.419	7406343.726	9938898.09	10212061.08	11951031.1	6120385.192	3036479.096	8214452.345	6720416.378	14229246.73	7087419.883	15385629.82	9520387.66	5110574.543	9205202.7	4962104.198	8411652.856	9342498.754	7981629.31	8068103.21	11820857.7	11609255.08	10297196.8	10975259.61	10419913.87	10907725.44	12755488.56	8497537.805	5170775.925	6381670.715	8093323.412	6232797.591	1873146.275	7606887.674	6617123.746	3903656.09	5594060.435	5586335.082	10777846.07	7118096.262	9222274.852	6146721.62	4983059.626	5454306.425	7732531.292	7733682.99	4830031.011	2775723.3	14451559.11	4978855.707	4011491.853	5781935.692	8279517.252	6828896.79	5515540.087	3668688.587	3498561.506	4392661.408	6604981.819	5482034.283	3899423.346	4941995.047	6841746.724	10330775.91	3940668.6	7730846.812	3899954.655	5221662.299	9677703.632	5413766.159	5185588.734	5250343.27	1759833.608	15169361.19	9289954.905	7861013.784	3525401.206	4872574	6367981.095	5892504.818	6922113.345	12336913.46	10030441.41	5758739.048	3140391.178	11346131.67	14537772.83	7466292.224	4878942.7	5434406.932	12171920.55	9936481.664	10094457.07	8051644.768	6144138.819	6276086.584	4397131.63	4197134.998	5812246.965	8389568.289	5472547.633	16416182.33	8088969.055	11475527.29	9183711.695	8692898.134	8354293.548	7583620.757	4068232.236	8442195.879	5717201.175	10190055.89	11264727.33	4547748.757	4009042.06	5687053.733	3616222.613	7872090.755	10713978.6	7014497.805	6003243.945	8135287.807	11402498.9	5450823.561	3676681.215	3528093.803	2846573.61	6020471.408	5215761.331	7703628.524	8162597.92	3917023.465	2319763.31	2705719.414	8765261.197	2729379.761	4403534.572	6155527.7	3783186.152
C51	N-Feruloyl-3-methoxytyramine*	343.142	C19H21NO5	Alkaloids	Phenolamine	78510-19-7	1	278988.7221	272160.088	497154.42	785652.3118	257791.7998	176954.7686	228284.2252	202204.323	187440.6335	182075.201	138065.7318	876236.9743	335528.3908	155764.422	137361.4432	550466.6921	259696.0347	299858.982	213491.2057	304408.8823	216323.7367	841779.3664	204347.745	782721.72	172446.5837	448919.6847	268218.1553	175818.159	152743.2598	857251.8486	656384.895	303679.5486	430128.936	209350.881	300473.3217	552469.878	1562104.47	555114.32	476819.9337	210778.011	317691.7113	99591.3956	356889.762	161426.2302	134373.4245	211471.872	375299.628	148486.152	191486.304	101853.7949	124670.4125	142923.9252	117998.1778	153362.216	225000.744	332489.1888	322177.7813	156602.108	328260.4967	279319.068	413636.288	137528.5222	337874.8608	233544.4272	273215.061	178727.9593	197537.9111	149014.3258	53654.38467	279000.776	150066.8863	343292.2948	80361.7932	119960.9514	99333.11644	203187.954	425513.1176	324989.3877	338033.3307	762267.8422	1054303.811	387533.2429	235016.6	598019.295	399340.028	737494.94	816039.2962	977442.5474	576353.612	388797.116	596831.7777	230040.576	485649.584	922947.515	547835.0267	462019.3166	630412.6458	707695.5728	1173188.45	759926.5293	614872.328	691513.5017	600776.0955	556687.687	474365.4711	306217.3342	372880.3646	665327.2825	804645.4523	1003287.435	474920.6742	296020.9977	305477.0469	497344.9412	520024.2816	565500.4179	746638.965	570694.5279	479814.5669	614089.1937	583987.2173	837045.4926	859745.9415	187167.9425	1741397.428	582092.9589	281330.4585	408066.75	597289.6774	329115.8387	592851.972	178593.0207	139755.408	684866.9934	1575410.004	239281.848	870960.168	717183.456	766996.1111	1947099.466	478278.8175	561191.8533	385539.3983	255433.545	470062.9336	188870.5053	602887.2265	1331912.994	181126.431	1042525.081	802754.568	699359.157	406049.8365	331016.3724	603835.014	461387.1856	335289.0452	485016.2735	439142.5962	331885.899	165795.6333	1620232.951	839362.9347	922718.5632	691898.9378	268578.3008	2170130.911	280088.2753	450401.2542	1186502.68	475404.3931	754945.3041	195636.8456	403642.1	270702.936	921594.1336	317317.8144	2950790.487	517125.9009	960664.416	447988.833	280477.774	427310.6521	467579.7067	209861.7676	484007.008	210387.2715	521582.176	1845219.636	260767.9452	515436.8016	222192.1128	332763.0768	358193.871	386483.5486	318451.581	176971.371	1416350.06	914538.8808	654760.6532	242528.274	257418.819	132901.254	477858.3602	559492.9662	395279.6715	628029.1913	192015.6785	112812.0272	149356.3365	396571.1017	96176.32767	224389.3995	535195.4285	223362.1883
C52	N-Feruloyl-Cadaverine	278.163	C15H22N2O3	Alkaloids	Phenolamine	-	3	59825.65962	49655.08333	594726.4856	99839.49	113569.5324	15984.6575	31095.8865	NA	130707.5014	9746.784	NA	157932.096	41788.53	NA	14539.99543	47611.15543	149868.096	43837.92889	27713.4585	NA	63701.44114	150616.1133	64935.61222	122612.9842	64461.4832	112617.8744	319884.096	29510.24533	55928.18888	288273.2824	125380.8697	72377.61112	320295.43	69900.096	NA	54985.86971	233046.3596	104443.3775	186658.1911	77561.82	109548.096	17625.84	NA	7163.604	32203.47556	184765.5967	46585.64571	NA	NA	NA	38489.472	63071.75	NA	NA	NA	NA	38634.512	NA	123406.3189	42915.94363	37395.51613	17921.25657	142701.4071	90009.1752	47408.95363	NA	159288.2733	109713.806	25970.9075	33025.8775	NA	47528.16222	42210.24413	18656.65486	105750.4956	NA	27955.64571	129732.2233	59619.8055	208226.2763	427061.7689	142736.5756	450997.9067	234260.6078	32465.23413	514730.72	178952.2684	85740.0555	11685.894	39294.92212	NA	94600.91667	219064.2971	85723.5312	92023.9752	42157.688	60258.38778	85018.72	53904.57429	257836.2967	62598.35962	180861.4316	81721.5555	167146.6107	155110.1533	51932.87444	70588.10962	54821.83771	317074.9633	206168.0533	31801.79975	NA	64589.7335	14897.68	29239.9023	87892.58333	182068.4856	116548.5555	32355.12862	7125.09	128604.0555	173897.3244	81658.49556	84792.45362	430792.6721	135677.9752	113202.1275	32807.99667	240588.096	116461.6844	NA	38988.096	76967.982	209567.8161	264108.096	27594.60375	106188.096	115886.3764	161053.3161	1139882.985	NA	62251.05111	39211.85	213759.5411	120996.2663	32628.4075	97476.14113	285008.3775	20834.604	259013.0471	15608.214	65215.64571	81963.57867	16277.604	380155.2335	55687.97111	55419.70363	87890.9835	166965.228	NA	66098.15333	101880.5182	10135.202	22947.744	85901.79712	NA	150453.1752	86127.57862	8413.588	87237.93943	20172.096	27495.36857	91556.57333	76138.81387	NA	172910.7036	45599.86971	257016.0522	46745.76725	28531.89829	129845.4221	NA	48313.41667	309732.015	64012.43887	144873.0786	NA	NA	29459.19375	56460.096	NA	NA	NA	39619.38225	26880.744	40065.76613	74966.27333	206820.2189	276402.1622	57232.63	NA	NA	119639.2221	154204.515	76219.696	53100.096	453430.2971	12462.912	NA	154292.3044	154448.5433	40307.7741	42943.19333	22177.5752	27958.64686
C53	N-Feruloyloctopamine	329.1263	C18H19NO5	Alkaloids	Phenolamine	66648-44-0	1	3322610.946	1913722.395	3149056.46	6503631.397	3326019.115	1352989.162	1255123.088	4550684.598	1643281.329	6455993.114	2647226.264	2790879.669	1361053.336	1573910.162	750251.6296	3438431.91	1521159.333	4899534.316	1078603.063	2509667.668	1056890.663	4271894.422	9604214.233	4336358.703	4242770.273	10515224.09	2613692.713	967973.662	2219138.384	4079434.274	1144627.631	2139811.131	2168555.326	5055262.331	1818740.463	3132089.055	1749729.23	4471700.203	1824544.9	1293995.154	3002368.747	2174556.051	3812376.33	5940360.095	2599604.361	3456190.998	3374181.345	5141249.82	2089438.441	3220329.526	6379946.911	4689421.526	1749221.83	6433361.363	1663047.991	3695201.87	1594917.321	1217627.162	2242429.376	2399308.327	2895282.126	2634700.521	2792398.697	1795227.55	7871582.517	3540357.354	482404.6225	2847508.675	1312763.662	1518360.662	2698657.186	1510189.598	7012315.03	122516.052	1849974.576	4227150.94	4818334.067	1089768.83	2811865.861	1259540.581	1808236.77	1107980.037	801963.662	3450198.656	1451102.631	2554809.171	1803131.662	3048039.396	2803660.486	1446473.942	3717869.172	2810690.536	2662882.822	3702340.932	2090388.858	2465010.588	3303981.943	2424827.619	3976363.464	2262304.303	1405984.662	2694995.115	3088127.511	1195118.614	3345112.993	3289270.227	2816381.084	2312520.348	904762.162	2728391.754	1864452.849	1715143.091	2755754.767	3136213.671	3585434.166	3701056.111	2573363.587	1801881.728	2276161.833	1281346.131	2863741.458	881557.592	771241.0907	1472928.403	2383365.101	1946002.422	1462682.092	5147221.712	1666442.46	2328947.592	2271774.437	1779952.247	883828.3356	763773.2632	1455787.662	2388488.03	1052255.662	1300854.43	608608.8996	861144.7716	1999717.748	2205770.037	1658434.831	996862.2632	729288.8632	1837942.431	3156479.964	1527695.67	839128.0632	2095245.838	2752918.862	2291725.097	401833.2296	2002343.662	4143218.988	1605390.664	1046219.2	1832502.662	5054568.811	2122965.528	3767771.146	3030347.417	2465843.486	4047139.925	707403.6996	2812541.03	1994558.853	2698645.417	998362.3356	2818033.805	3623723.617	2190903.891	1042751.874	991999.3356	2367746.732	6502003.736	4115870.094	6205869.591	3042705.346	4807157.418	3970124.742	14699660.9	3491197.831	1904228.63	3224357.627	3569753.894	3608662.633	7477932.453	3217354.232	2978007.121	201619.632	4062183.202	1255076.83	1307643.372	2353452.339	2702175.39	2107113.998	1181802.437	1622690.263	1370597.836	2803733.496	4130402.866	2286833.46	2021844.729	3870174.829	6579112.932	3412454.441	2570870.016	3821668.702	3391773.296	2654247.009	2195456.432	1130001.931	2022169.631	2740768.492
C54	N-Feruloylputrescine	264.1474	C14H20N2O3	Alkaloids	Phenolamine	501-13-3	3	10829633.46	4574665.243	42022329.83	24080647.53	14853081.71	3381883.696	11524052.56	1343156.943	24852633.77	3212344.641	1237772.047	16947770.12	3352078.522	5685415.186	528604.1617	5809474.824	8021349.051	4229706.285	5259234.344	2996784.245	5515534.518	8393198.296	7023871.221	14489039.06	9519606.023	10879841.43	19539402.75	1044204.199	4896528.329	12732103.97	14330141.25	14320638.08	11395492.98	4539041.005	5254520.608	4762576.049	17474853.16	5800848.64	7622415.444	10620480.64	9856732.509	1036648.762	6784270.182	1262974.352	3844004.91	14852459.95	3260980.792	1454800.719	1934447.802	977501.9692	8833365.636	9260845.903	1176297.154	3673136.043	2030222.227	5483580.069	2955789.356	3024866.552	15789722.36	6214859.569	6799846.422	3785900.175	17722940.88	6188839.836	6821907.379	1636110.71	13347905.32	8128474.739	1866581.026	8579648.94	3635475.228	5388829.61	3922790.095	1144389.928	14396938.23	2783497.92	4896112.716	15653498.13	6782702.108	14768100.19	22151256.56	20503530.65	18884197.76	20463120.15	4607811.764	34921015.26	21076330.32	8557010.528	5695913.939	5541661.026	11035507.7	12097596.48	19175200.87	24209732.45	23380002.68	15193059.41	5027055.651	4405938.186	15188009.48	37959539.23	4638099.454	11600349.47	9335550.299	10136582.33	18120957.82	8051552.157	6658571.913	5146019.194	20084946.69	15687913.25	5347785.33	4712956.208	9651115.648	3858784.857	3880890.14	6285579.084	11833338.79	11290670.18	1528623.359	2240066.479	11054395.85	25862127.58	11972936.84	8212626.149	27071225.82	11094355.73	8474255.657	2204182.725	29883368.07	12586418.62	994426.636	8409087.81	5293671.543	30561196.64	46628428.99	6419062.277	17718008.37	15088027.81	16242550.57	98366661.72	1523721.362	2128417.851	2410820.735	17602467.1	9370781.926	1770256.367	14982544.52	16279873.03	8493744.023	14564331.37	8044294.44	6016066.817	10707465.27	6213979.23	21064880.17	2876785.766	8259689.95	2376414.676	11713664.02	782918.3691	6045669.358	12189388.65	2927170.497	2639272.275	6791027.529	8756507.193	9909199.066	9925540.735	1784991.134	6822703.058	1722647.167	2992257.471	5960683.179	7421023.296	6669765.806	37251656.36	4817798.705	31802268.49	3883614.085	2376819.638	11562394.14	1494607.05	6227532.54	30336388.54	17306177.37	15000675.48	1392205.864	1864557.427	11797535.91	8018719.286	3005883.227	1717539.926	6990738.7	4053228.224	5181438.221	7472025.376	15266113.88	6888829.115	29322033.26	6056127.415	1894109.887	3042677.775	9302597.494	12967530.27	5813807.25	6576667.405	62153590.05	4249983.647	3067059.846	9569309.455	14778776.19	2330489.519	3487085.041	1791637.026	17521180.7
C55	N-Feruloyltyramine*	313.1314	C18H19NO4	Alkaloids	Phenolamine	66648-43-9	1	4237015.287	3388152.805	12108796.8	9519181.471	4363472.837	5095124.119	4077653.6	3574886.635	4004072.956	4759022.216	3444000.89	7584671.229	5984765.105	2872616.149	2388226.118	4211538.701	5962261.523	9381969.173	3522686.782	7224918.461	4069057.342	7794794.464	3280040.909	8098101.934	4797726.985	7851491.239	6133334.981	6596397.634	1897273.36	9278522.251	5361076.987	4262418.544	6754401.678	3515412.126	3807721.74	8643953.66	10859700.46	7785670.605	11429158.24	3475566.669	5927853.31	1301472.141	4929753.106	3595394.016	3095051.946	5927506.739	7450716.048	4924979.507	2512621.868	1548781.374	2877577.235	2648984.047	2369421.307	3788840.068	1912151.546	3400833.157	5414044.419	3601105.709	5424135.584	2781197.307	5085504.61	2008717.906	4169971.628	5620860.835	5164866.12	5122832.275	2166144.675	3607834.301	1182788.246	3949454.583	6513640.536	5510478.831	1097265.537	1746194.802	1348716.346	3537904.607	7393271.994	6564636.765	9635168.432	10012238.35	11818810.59	6471226.105	2588443.431	7875714.201	6220731.97	13000622.46	6389243.336	13589640.8	8599718.27	4832034.603	8833331.371	4735306.991	7524538.762	9609240.771	7949368.244	7588785.257	11654217.42	10661118.12	10079539.03	10428165.87	10704540.76	10509667.88	11240447.91	7261957.44	5226954.818	6529396.219	7296272.991	5977351.737	1755707.184	6931118.465	6398611.143	3879041.83	5437640.119	5543279.293	10453432.1	6612910.623	8460348.283	6018042.305	4634078.503	5235695.458	7579721.629	6502264.735	4935615.802	2350818.437	11939495.1	5264239.184	3655851.262	5688419.172	7773593.229	6034884.856	5675975.631	3271528.06	3303278.466	3936020.267	6610583.618	5490888.916	4200666.012	4370995.152	6247172.379	10262569.82	3423434.298	7599386.784	3501432.728	4329626.385	7872630.177	4670396.982	4962912.374	4919110.401	1738908.793	14617424.49	8707348.995	7497815.584	2577316.414	4347422.324	6179347.642	5570948.669	6416889.585	10891601.79	9837710.749	5233385.461	2849291.009	10907697.55	14120993.41	7788960.83	4640813.25	5298045.279	13721182.35	9109978.25	9162805.708	8340956.973	6445364.974	6291527.975	4367558.234	3827131.185	5203003.313	8104947.513	5497537.935	16257855.21	7773908.114	11983413.27	8624273.253	7409599.929	7214852.925	6786141.583	3954769.022	7886372.854	5722668.473	9848446.125	11383105.35	4248590.33	3871843.325	5068349.045	3410456.463	7420961.198	10355535.23	5846370.823	5861902.7	7161618.119	10805713.04	5631382.535	3639557.036	3641815.469	2602993.089	5365641.273	5114354.389	6683902.739	7684699.442	3939601.801	2202003.517	2555516.897	8115944.751	2596517.508	3906503.488	5675993.975	3419488.429
C56	N-p-Coumaroylhydroxyagmatine	292.1535	C14H20N4O3	Alkaloids	Phenolamine	-	3	983253.9043	351997	504095.68	300663.267	117748.5242	45335.8865	369097.0296	1620140.833	667426.6996	514530.72	121784.5515	287421.0937	272577.4495	46512.2892	111777.6995	868096.4542	154247.49	128094.525	NA	406250.0837	145652.7898	1017386.262	407450.88	1438512.194	26488.9938	182498.696	226433.8972	280324.4364	380278.2911	121998.5355	126122.88	40494.534	749520.2883	435335.552	2102705.25	333805.9953	490877.2413	844654.9105	19193.002	202849.0794	102004.7011	232044.7822	90408.393	126867.4195	186592.32	232975.386	411478.7103	317978.5837	38489.47482	569289.4991	271951.68	246256.848	156105.304	147641.175	80637.77927	339454.6031	28939.4855	537542.0375	213735.278	57765.53891	1125556.755	339773.0814	57677.30286	92498.868	115940.3845	122564.7138	88590.062	38932.245	275133.8495	397138.5217	172795.8948	238663.6818	571837.3584	22117.1967	67881.925	136831.2075	119344.2704	273253.44	62944.50243	171179.1564	335151.635	348168.3794	906463.3131	330001.028	1233259.365	71579.92857	465755.8544	174079.9	276687.9937	754352.5851	914551.2919	265064.2332	121346.443	1200093.153	810360	152370.0552	236434.773	487967.04	19050.7525	335954.7431	107898.5969	591290.3143	569398.3845	237808.8863	138434.5231	194735.9375	265431.8846	1040539.352	106587.8784	637236.6085	173935.6486	617030.7778	73193.67143	257109.553	583262.5751	104806.7032	728441.1545	1013277.034	706323.99	575525.055	157701.725	915551.26	417394.2131	343993.9062	196923.6625	701704.3068	197268.3936	114972.0975	101454.6307	148064.2475	100188.6821	332720.8094	178895.9941	460039.932	825048	202898.1665	679207.7225	540465.2764	460354.967	469551.01	163989.098	158655.132	906030.0984	589170.24	232707.9625	175921.92	485813.259	316231.7717	308582.5805	982907.1318	378524.7756	636514.2363	95466.135	303475.738	128213.6619	285373.5724	82389.627	16268.43686	684784.8822	802945.806	726324.1351	133445.6235	608557.3875	372867.9545	355036.2724	827833.4933	1020835.539	24544.586	376581.3316	756240.2909	474977.0667	1683278.774	93453.86936	502919.187	219122.2512	NA	702165.6007	2731607.078	325482.4049	317077.7889	343512.3981	1379512.855	NA	806120.6385	57465.9	786334.3683	2051819.648	214216.5703	729197.3552	616074.7519	4029360.832	251815.2435	380764.8286	263877.12	104824.0755	273471.8801	40903.60714	750418.088	40235.327	93375.54	1347578.25	92571.49273	524363.9226	144568.0176	87124.96636	424643.5334	49890.56914	232229.5745	170853.21	535459.584	122532.9223	69161.66509	28674.3951	675027.6342	20836.59091
C57	N-Trans-Feruloyl-3'-O-methyldopamine*	343.142	C19H21NO5	Alkaloids	Phenolamine	-	1	296359.0125	351577.8187	606341.052	728605.7	278043.96	150406.9787	259277.13	210385.9644	221958.6308	180468.189	148412.4667	854277.3562	327664.5764	189532.863	130625.033	670929.0533	309275.39	286299.1846	250533.126	366859.8	236829.576	949954.97	229330.701	873305.356	200769.966	426796.538	278986.4695	174353.543	144064.1332	964943.4276	578512.5016	249411.6139	498325.7386	210752.9387	295944.0197	557546.8074	1690061.641	633737.7423	548062.8066	202442.1165	361830.0417	117700.289	425706.516	160808.2017	147906.9567	215436.9239	372935.2616	174832.0489	209887.048	38673.711	129185.262	114819.9333	109707.3729	141642.7168	238661.9235	277045.5456	321341.74	159278.2833	289493.3115	314827.1757	398670.0573	141301.6332	300746.85	232880.0166	249808.4505	219624.4228	208287.804	221622.6844	49586.06289	316100.568	168924.7727	291455.771	112828.71	98859.44056	109953.3524	240982.2524	503606.935	378682.4077	379710.5749	837910.47	1107584.064	243042.45	210442.443	649524.3923	439075.1777	709601.5484	917013.6004	903238.538	595731.8222	444824.4161	601873.4765	203074.9844	560966.896	1031076.2	480795.1167	447122.3379	672734.162	666491.9811	1138162.156	801161.1573	552169.9292	701123.3383	620152.4492	452389.2995	496102.4578	302426.4037	393766.1727	713024.213	858167.233	1053210.426	526516.6312	329389.3903	322653.2139	346369.4924	571259.274	557615.704	893806.065	472742.646	492952.2742	598846.285	573003.37	879145.2087	954811.928	183916.782	1785108.936	558609.455	300787.1438	419225.0966	544049.9822	416380.388	588379.7547	198165.8176	126737.0677	739186.983	1996672.191	218540.5156	1008481.54	799623.916	820211.553	1810969.117	402529.3396	579553.5312	392749.6708	312132.402	480926.1665	218773.5209	566554.0711	1360561.733	185678.012	1175860.24	716141.3903	686763.928	455985.6198	406380.3267	572694.12	629972.694	380434.5627	510287.7795	487010.2356	347559.4468	141582.204	1377137.666	888459.3648	863267.2622	698978.2733	144084.8063	1962430.378	289439.4667	438303.6945	1186916.6	453613.5942	758941.2051	227123.8165	315735.2756	255051.9405	878007.261	322992.248	2889106.924	428053.9287	955668.4911	490334.133	298739.8192	427484.2005	449071.3878	212826.9791	427807.5338	229810.1085	659337.81	1927375.942	262969.8876	454615.374	134861.464	340469.57	348342.766	411339.8903	342250.9965	171738.4495	1478865.763	552947.217	633083.4848	257765.8195	274776.375	144260.3705	354285.4176	565250.7244	406088.1511	560375.0859	227346.33	133473.6924	173099.115	473652.7715	110314.8466	239970.969	509307.917	222280.4896
C58	p-Coumaroylputrescine	234.1368	C13H18N2O2	Alkaloids	Phenolamine	34136-53-3	1	351427.7374	162082.354	891622.9029	1133655.758	610655.354	338719.354	1258245.824	98016.45222	2164548.147	558099.9166	77102.354	572675.09	65816.71762	747898.9551	39485.20111	716665.48	425713.8678	261165.48	1766884.017	113310.3177	154046.088	2801351.841	1670641.317	240922.7166	334410.4158	310966.8133	1807659.354	154785.6029	922577.3529	3014046.344	208803.8967	555936.4695	283899.0166	155834.7676	386226.6177	150127.7166	1962282.703	1053840.617	108111.3005	330507.1166	1444259.117	NA	321869.3678	33092.1765	123367.4325	575583.1767	146495.9166	74306.496	64955.1765	153653.4233	251311.354	487394.2029	165814.1467	139930.0254	96137.23636	292780.1628	126713.7456	110771.1164	211238.7856	108973.4522	508367.2516	192959.5067	492249.8029	542992.3967	199716.354	87668.17444	220354.354	171063.1189	39821.93125	227619.6029	185847.2095	238000.84	87161.80625	99826.5217	591882.3425	87568.128	337165.4166	519889.48	435732.18	567558.354	982782.3	1403673.417	333847.5266	665449.7573	337390.7706	759914.7529	857363.8771	94919.9706	180292.354	227068.7562	9887420.446	151584.0078	312315.1756	426513.8467	728960.3029	801090.6189	149335.354	141235.73	1331409.176	660773.5849	156606.4529	148133.57	542120.2261	678583.4529	489701.0166	1038590.354	203965.354	124120.3188	366486.59	2150614.354	175144.79	406100.975	669345.6153	640111.6311	108666.354	254388.2562	287100.7029	237534.5178	85842.00778	135447.48	360756.4022	1178836.403	619709.3029	135565.0687	1753029.354	765440.354	298050.354	71232.67444	667106.354	180647.4255	297820.9166	299031.5166	357169.8177	290290.9233	1234363.54	91103.81222	795790.354	333256.354	744195.354	5010669.67	105335.5166	183404.0655	253240.6189	529607.0655	487925.4177	208503.0745	392853.0166	451219.5344	131072.6313	459156.1467	400026.354	470554.4522	375139.354	239369.41	1022665.508	131508.1756	534129.3529	52094.66778	17264.466	42896.1765	148795.2011	410336.6332	168835.3678	101668.7856	336697.01	130278.73	267093.354	833962.6529	77715.7551	210894.6975	311111.8155	159207.2166	59215.51127	NA	804134.23	2031809.705	448487.9345	323852.3967	210642.354	1376082.354	688294.6529	242325.8618	158265.5067	1151492.354	354442.9518	665837.5029	59661.50667	299933.8298	242206.354	172401.354	151488.3298	78695.8155	241599.354	529968.0051	426734.354	200913.8029	117164.354	307416.8967	1281997.354	307904.6244	106238.354	273163.354	185148.354	1999181.868	327793.354	201517.62	11321152.24	381681.0078	263853.52	1539470.674	598466.0529	534129.3529	161475.354	737242.0644	309557.8529
C59	p-Coumaroyltyramine*	283.1208	C17H17NO3	Alkaloids	Phenolamine	36417-86-4	1	5285.033667	7749.696	44014.1335	78859.728	75989.2735	23290.6345	10202.582	3682.3955	23638.949	6130.88	4498.7705	13513.30175	4900.449667	163822.5155	NA	6015.624	12641.04	19157.8552	NA	6130.88	NA	88772.745	218466.048	19650.81	43251.73	84403.75467	13457.02757	11036.3015	12609.14317	224246.3583	NA	90070.6284	9389.153167	13095.26	10600.17725	13845.984	52464.1535	85377.363	20370.2892	6523.102833	147621.6685	NA	2822233.92	6128.5864	24519.03043	13135.30667	46065.948	23240.4	NA	45025.6545	2043.538333	14303.9785	NA	NA	NA	13423.6845	7345.946	NA	NA	31050.0216	34199.6072	5724.4215	23667.84644	4476.0885	70336.51067	26814.80833	6523.512	9764.7475	2858.5815	40253.72283	11813.10467	5708.344	6124.118	NA	19205.494	1633.761	163930.0335	11430.892	19729.9915	19550.86633	20273.76	9695.73475	19046.155	25682.69314	19102.8775	32255.05075	NA	67031.36571	4488.3315	8558.48	63522.41583	10176.3762	33410.52071	90170.63571	60672.55867	31305.198	9812.4858	4479.288	34233.495	31925.7605	84551.976	25971.025	20697.907	10616.508	17038.5775	74911.41867	11448.9522	6966.088	6111.1575	14741.48625	NA	14150.63	173185.352	7725.355429	NA	19161.384	24484.675	29254.38767	10608.045	11000.21	8594.85825	8958.176	5302.396	4489.524	44433.69	817.758	NA	4486.266	15116.672	9779.1192	7332.176	NA	7365.057	11021.093	13920.2325	12697.058	2486.8107	250683.6043	2853.6756	734387.6673	40112.952	12646.00633	NA	78180.68383	10248.80667	26428.449	44770.78822	9777.208	NA	103522.3624	21199.806	37442.78	NA	85882.00214	108987.098	90758.7	44312.028	4517.078091	NA	7332.176	2443.2025	11464.62	16316.72667	89258.543	135994.7067	4081.26	12626.00186	14306.5654	2455.05175	129755.9357	12669.0515	14596.999	1636.938333	NA	183155.648	192698.5995	42701.5194	78287.698	5714.322833	15074.99	9472.595	16661.75357	NA	29754	50001.027	8181.583556	9404.4483	6539.968	66019.02857	11001.29483	79401.12133	8951.289333	811.304	7758.12	30234.5488	4920.552	17092.05167	2435.4	251215.9398	23160.851	23622.24583	3672.852	NA	28875.8602	17161.6225	4867.56	11787.3425	NA	8120.52	NA	17128.392	NA	1229.729333	36651.09417	NA
C60	Salicylamide	137.0477	C7H7NO2	Alkaloids	Phenolamine	65-45-2	3	45995.8752	41886.42433	54342.38013	52249.68525	34266.88125	43716.88125	26696.6172	34063.81825	NA	33477.07556	NA	36034.94263	16455.8905	53172.50737	23640.9954	29499.92433	47595.725	33476.69325	66355.69325	51980.13013	18404.435	41960.9908	34781.6728	61108.225	NA	42288.06938	29541.88125	64381.94262	38169.62962	NA	33476.69325	23247.41212	41058.95	50708.79	26052.50333	49358.225	58006.05778	33234.93375	45163.67222	89253.56825	26431.19325	22720.4775	NA	20070.15125	34202.79	NA	NA	29953.94325	32852.61778	31641.0435	68515.88012	59663.75625	52680.05778	31796.13257	45719.81025	50799.00512	69574.89111	57885.75513	77964.88012	53281.83778	46605.091	62610.25513	43712.25513	114456.116	45483.94263	51985.63125	58476.31762	80335.63125	23191.445	NA	47861.3835	42531.13013	48687.93525	38510.97413	63207.50625	NA	63677.79	81620.94325	56859.84333	42279.06713	48795.58387	58989.9735	47914.32778	40337.9172	26103.5172	86832.50625	49848.89778	25618.4215	50474.12387	70347.07662	68664.50333	34808.42433	35378.45556	85563.88222	124888.67	43003.74825	61754.18638	63798.13125	56120.00625	62949.9256	83499.50889	58909.52138	31441.4172	45425.42433	57782.79	63798.13125	45224.00688	65236.95225	59840.53775	75911.116	69992.9172	29064.116	36656.51412	43500.4735	71341.29	34067.44437	57575.05717	121421.9105	67839.091	58608.83778	62372.00286	131698.3024	53281.83778	35521.83667	121666.5051	72649.81762	33613.29	45806.31825	46577.9	68119.4105	NA	32299.00463	32305.88188	46087.5954	58135.94325	62832.94325	70287.56763	86241.88125	76783.75513	52191.116	48741.94325	65446.29	NA	42870.69325	112738.5682	32886.06713	122038.29	35257.05	34083.225	75749.69325	74327.25767	92515.116	90376.25625	58476.31763	89785.63125	72440.56137	93910.06763	77374.31762	39512.01333	83131.29	47171.79	71688.03775	75749.69325	43400.39333	96127.46	54613.19325	65563.06763	124632.5063	103184.0133	51065.3244	110977.1933	39296.06	77603.59913	73248.13125	89185.56763	76791.88125	92572.01333	118713.6926	41696.44325	73240.38012	60838.56762	107696.8433	61422.629	91965.12222	49534.45778	92728.94262	64972.50512	45587.28222	123705.0033	78555.44262	129420.9352	82534.01111	37216.06763	44395.16889	70287.56763	51389.56763	NA	21977.12387	29482.074	35658.54889	NA	55047.16889	54245.79	51132.32487	56961.69325	61940.75767	46771.06	44898.13125	11221.862	99235.63125	70798.25883	46975.56713	73399.17	50914.28222	126995.0063
C61	Sinapoylagmatine	336.1798	C16H24N4O4	Alkaloids	Phenolamine	-	1	1949358.653	405811.153	476273.1507	1768077.153	359818.8799	641928.2456	684372.4251	327099.414	769.59	2336397.277	NA	2088861.567	281393.9644	799430.5663	737.94	NA	685754.1541	1159417.175	962283.3799	247531.6171	231262.6924	NA	689309.8196	NA	739715.1004	2557254.151	1533433.691	28052.53175	313274.153	2397632.153	NA	320010.0379	NA	NA	NA	693.8885	NA	1097087.753	435110.0956	NA	NA	600745.653	909109.9435	934821.8162	1564799.153	2774.772	222134.4424	1347080.566	803299.6924	437516.8208	6961758.746	308852.8174	589546.5049	1742288.153	108510.7474	872975.2144	1143125.504	NA	1379026.816	2560920.654	3048676.342	1471304.194	NA	1864458.755	615106.4644	NA	1394239.316	150967.5916	76622.153	1102023.339	146315.7615	1366208.442	561057.2066	234325.518	896790.5663	1433148.942	205219.6511	855322.1333	1300972.914	390974.9413	126932.518	282931.914	608500.9966	843685.4435	NA	112237.2486	4749.324	206421.2846	1792959.902	NA	2493752.194	505891.4644	239739.1553	1949362.288	548348.19	1608792.153	434691.2467	355320.1162	3331406.564	2657755.323	NA	2081.536	340939.1419	225362.2036	3602629.692	1415374.653	782785.653	1263731.848	153055.5379	3844380.744	NA	NA	2088.4185	152390.3862	921966.9424	778234.653	NA	221846.9754	NA	NA	1065593.829	5369361.675	97700.50286	95576.77687	3044381.777	307964.653	474682.6924	NA	1254593.507	245827.914	NA	854265.7549	31870.653	133134.0049	235046.8163	309613.5049	1639132.153	NA	650806.653	1587568.505	1681643.206	1535.0915	351451.3174	204638.6299	111074.0674	NA	1304592.755	114547.153	174971.8174	1220156.442	598470.153	959437.0894	NA	2033456.636	1036915.943	NA	499106.653	NA	NA	NA	573572.0674	708603.5112	NA	1242114.316	NA	103736.3662	445253.153	1028454.902	NA	868920.518	528691.5049	1257430.13	NA	NA	1854546.153	6273233.413	590885.153	NA	1325003.964	8861480.602	1130488.193	1452.7275	1840893.153	324705.1552	403480.8733	2598634.653	NA	3584039.139	NA	1477268.817	224879.6522	430806.1519	1955741.255	NA	931374.9019	NA	143783.6299	NA	640459.9412	323101.7879	NA	1300841.153	361310.5663	1214372.153	1089989.316	859394.153	561354.9412	1969433.63	4836845.457	869941.4644	NA	884693.2549	6299688.61	169633.0663	NA
C62	Sinapoylputrescine	294.158	C15H22N2O4	Alkaloids	Phenolamine	70185-57-8	3	49338.3469	63145.91889	29957.65587	515479.3489	29146.32933	39742.836	32360.86175	73842.37	10736.0775	36682.2625	157132.836	40946.836	50425.42556	43050.384	9113.110125	65448.11778	17844.69625	66609.02287	8849.717333	19230.0075	18924.9711	95496.75333	214357.899	24598.1465	73408.89111	57539.33762	30909.61667	NA	8759.7525	63507.92778	33277.2525	26533.78	53900.399	60560.899	69673.1431	73950.4931	62618.836	143827.9656	69797.97	5842.336	125077.6879	25252.36778	50041.31333	16055.067	128417.6416	53706.87	NA	148373.7126	102520.2033	18412.29075	69083.45111	28687.42444	83632.45222	93325.28187	23110.7088	58400.65	30478.85333	34858.22667	29474.64375	100623.24	84883.23556	110555.1267	73524.95333	22587.44425	52801.9184	17309.3305	99060.86537	21006.42275	8154.9935	28887.6105	25508.47444	18284.384	18802.35	37422.21	40000.78444	NA	41223.15913	36344.65012	36796.3372	32457.01667	12011.2024	15012.2024	18250.3738	NA	69083.45111	39604.66444	NA	53936.22889	55851.02778	31845.4752	51177.12111	36657.06267	26216.35556	75135.45	42796.6965	43637.56333	41868.6752	32159.90667	170595.04	38634.863	11799.0752	43453.86075	41818.45111	23152.06778	62930.31778	65932.87333	31847.24988	62801.5088	36572.18667	166595.7622	28051.74667	NA	59973.10333	10708.75733	47430.5545	38260.14222	12933.62625	36408.78222	8759.7525	13898.55613	47875.45317	143231.6333	NA	12121.11771	61894.50213	36058.68222	9338.334	19562.9112	33124.27462	57020.034	127152.7729	47854.29075	2939.85	NA	NA	26859.53667	34964.61	404791.6085	50430.03778	32454.01556	116044.0867	23022.27512	29300.20333	12029.616	46541.47444	10659.66875	113239.399	46735.48513	7004.334	78270.836	91152.88111	130099.0456	13160.784	16856.148	45070.34889	63370.51	74653.15	42671.18333	21218.22889	NA	30867.89778	30765.3372	61305.29875	30306.56222	93683.75333	NA	73794.98444	35812.86013	17508.73575	22921.236	55395.78333	61206.89556	NA	41639.42213	89354.04778	113433.6096	NA	96050.8045	17683.3925	61236.3045	28307.77463	40093.55663	47565.65	24294.36333	34319.70444	56992.98413	33915.7188	85931.18333	26669.61	52875.57	86504.43	42922.1457	26946.08663	6524.61	33415.93	103854.0545	46538.93	8415.180625	37857.51444	70584.73125	51991.6968	68743.62	74508.46	NA	118977.0167	39109.74	84714.93	131095.9616	82902.26	32883.62	43359.33713	21619.8045	784647.2978	16647.94537	136640.8156
C63	Tri(dihydrocaffeoyl)spermine	694.3578	C37H50N4O9	Alkaloids	Phenolamine	-	1	377367.6892	262486.3556	516866.357	798512.4532	264995.1772	53496.3055	229661.796	261925.8772	31564.108	73538.6544	37744.08	78768.7164	262409.252	274229.8784	124751.2708	59164.08	26302.75733	37871.52	14291.082	413358.026	155538.6784	150437.3796	756157.0784	60546.054	66134.80533	56510.054	46056.2784	42982.4772	284927.0544	86163.35817	240991.8532	294213.132	383862.2832	445255.4544	271598.252	351270.6532	301697.054	32644.08	36724.08	34618.108	86805.7532	272056.7573	39928.782	22402.108	282072.6927	320305.1796	280396.4796	405199.4784	206721.52	343533.399	36847.4784	212817.0772	146315.5772	37792.9532	127977.2912	66383.7532	31080.2264	34684.08	26615.4784	27249.054	174606.3055	294702.5597	87254.03517	75484.08	58220.6544	704640.2544	38338.5525	26246.5555	294060.252	77718.3055	186717.3055	32325.7176	368926.162	25289.6332	200215.4775	387727.4812	85793.0544	92100.2784	27544.08	514732.1796	33305.8068	25262.12	53494.4092	249457.4188	73520.29283	586435.2912	447815.5756	597572.2332	342147.7556	63122.108	46420.054	429424.08	434287.6912	702276.108	887714.2188	44884.08	463476.5772	413598.2544	88892.12	67075.12933	859225.1185	99099.9332	584293.5548	38841.49029	111079.1164	68425.9532	41594.3925	559575.0532	297667.108	575164.5597	112305.9583	23257.3575	456545.4936	267927.132	779414.0597	72672.0555	496312.7796	822414.5172	82566.87771	355426.5164	99119.5356	148344.128	314009.7263	223512.7573	78708.054	391546.8673	22209.5555	36724.08	76752.2784	582196.5435	551463.1772	41154.399	385004.6544	399367.7263	281392.2784	66304.08	326759.6475	758659.59	489937.2007	628169.9188	253269.8544	39450.09067	168648.7176	45525.592	104860.108	227739.8544	744925.4775	81700.2532	226139.4784	99964.08	431105.8673	349987.9518	19393.582	37701.8435	64053.731	63490.8912	412881.7852	212817.0772	255004.08	304889.2275	221023.4784	502479.132	447371.9518	305133.582	129945.9772	297287.1208	36768.252	33480.3925	286562.054	531807.8092	54236.5772	345853.8784	23178.545	516739.4544	506374.4565	112837.6927	43864.08	2082301.442	347959.1185	563260.4912	91461.72517	75278.47067	479929.2532	91334.20533	342080.7532	64498.4912	28600.252	31315.9176	1148282.56	54241.8784	762335.6164	552481.4544	55545.6164	540703.562	31359.424	394622.2852	438308.7188	426069.2018	481716.7275	869750.028	260540.5176	29274.3055	20335.89183	15327.252	232301.3796	385961.1924	405531.2287	37744.08	27290.2236	16324.08	29296.3176	236417.6808	464578.8673	379696.9176	48376.8912
C64	Vanillylamine	153.0784	C8H11NO2	Alkaloids	Phenolamine	1196-92-5	3	62123.9535	83842.66286	27682.77	74937.044	53922.96	33887.26329	32112.4288	34759.17714	31117.27843	28323.9312	42087.353	23769.85875	26968.49313	19918.864	33142.86857	73392.9712	32452.945	44597.168	16749.31086	38545.078	17581.67657	47900.97457	47928.91675	42937.71075	62727.552	47897.03657	52181.49514	20366.094	32739.64571	41680.492	49357.09133	27558.993	23969.946	46341.29657	24567.675	28123.2496	32892.64	28547.9245	58835.1232	24342.80371	23755.072	66671.829	36578.80571	37385.25143	36548.008	27924.428	47221.804	71732.66286	65616.1376	38591.02843	47522.54925	24249.11571	22999.396	83164.816	37969.93371	52920.967	38971.8972	42911.316	54155.73429	27841.267	83779.81967	50724.2285	52721.724	24657.24857	47083.10286	85964.56	39334.26233	32518.25857	30716.0896	110525.7771	42537.53625	27326.4256	40249.943	22999.396	68414	32355.15733	42938.555	43023.971	42338.29325	41679.624	16581.07	27407.556	35807.2	36947.757	30915.0848	26879.24571	30490.6055	62255.9928	30184.7	42681.9408	40117.18736	42672.34	26232.8	134343.8593	66698.28275	33142.01429	55640.536	47937.70187	44143.008	35710.3994	90858.185	40859.364	41276.116	17953.4144	25138.3804	41886.208	53321.1415	38545.078	24435.936	47730.518	38340.1575	27885.20186	24641.652	31930.63714	38545.078	26694.472	32475.52	76082.1215	79876.181	50507.184	68777.716	73287.654	15585.47375	22383.984	60418.50286	20378.14625	18072.628	19098.604	33353.78475	34398.1926	43850.48571	61743.958	19548.7488	16953.359	19101.403	35786.81813	51401.97886	49326.1505	50316.57429	29695.22667	20546.2544	20848.17733	29978.116	18831.5292	69204.7968	26168.87	83763.488	35971.40857	44190.985	51312.90533	70573.70325	43030.616	18157.5586	41426	29788.485	26861.415	37118.6025	24360.16	21760.662	42538.3805	26078.192	56269.22257	39011.392	33906.7584	44656.34167	23641.07	57281.924	21162.456	47522.54925	53970.51	31621.24	46072.48286	27640.37208	24934.2672	75654.005	86871.45343	21742.7552	51066.232	13889.88333	46671.12	20147.4208	35971.40857	22805.1384	20125.448	33747.27338	19304.32	37385.25143	48249.516	114146.34	56722.57937	57837.6176	69204.7968	37551.88938	25132.4192	21550.1748	24164.76638	41295.3942	34577.35425	32074.8575	66105.12412	29955.46388	39350.38875	50083.09957	30920.87143	56464.30743	25338.2662	33956.70029	32427.4104	38358.45714	18688.04	15766.884	23941.5958	38304.64	51722.97625	40165.9104
C65	6-Deoxyfagomine	131.0946	C6H13NO2	Alkaloids	Piperidine alkaloids	197449-09-5	1	6799957.157	3841316.587	16083472.3	13627207.38	18099089.5	14964140.96	13088536.1	2459782.488	15926452.45	15956965.07	15176050.05	20128230.73	13938695.59	14229210.24	15144071.16	9945920.188	16658563.27	12560654.97	21426747	18646025.04	12123548.27	18344562.54	19280330.22	12310372.75	14338358.32	18695944.55	14587202.68	13883235.08	15761204.61	18191337.42	20534097.15	14244956.32	16757817.23	9952607.798	12956706.15	13101184.52	19561771.3	18327431.68	19395382.54	18895118.12	15941750.32	14628377.68	14880478.43	15114561.12	15908167.8	16141827.31	14383442.77	10904565.24	7947130.785	13631549.43	15712689.24	14206368.4	13138899.28	7726386.051	8222132.475	19314926.11	19213049.66	14004074.28	9293247.496	9570890.481	14225600.95	14507704.57	18313007.02	20767907.24	18006813.85	14606004.56	21332134.05	20525526.05	6431103.195	12079245.9	9899323.287	15617718.4	15368144.64	11999684.38	14561727.38	13765598.88	18559418.29	18546154.32	12489169.68	14517363.67	16020939.44	17297542.11	17411002.47	16076140.06	12176127.82	18279636.32	17714763.47	10498131.57	14072341.75	12065675.81	17370142.49	11579061.44	15922587.33	12441542.66	21695294.26	11102596.95	9724183.326	11962027.64	14478705.03	17600762.47	19485675.78	12308491.05	16379847.3	19493477.96	12923428.46	15832969.46	14161540.49	12523198.65	7311215.069	23251601.45	9872521.341	11486948.93	15733187.84	16641747.91	10974639.46	11576888.57	13957405.58	17425163.71	14137269.34	17118501.76	7096893.984	20895712.47	15150995.92	9260228.651	22863143.04	12398147.07	11433353.86	6220822.675	11276308.03	12561066.52	13910286.85	5470243.581	6823316.34	12671051.32	11839146.45	10986208.88	17782588.26	13366428.31	16007354.58	21802453.72	13946347.12	17280437.28	12126114.18	12467079.45	16497685.31	14303226.79	13470692.82	11191771.31	5616802.36	16652605.23	8869011.497	12839442.15	18940367.89	14206102.35	21323121.12	15937069.02	20932190.71	18242790.8	17094500.75	21924992.22	11679694.18	16084540.66	18430943.97	6463636.25	20652201.53	7593600.681	14729976.8	19028082.59	17365964.16	11871649.5	10745223.75	16153360.37	13325778.79	7969383.763	11356782.89	17985599.53	15798152	14944658.43	10153095.62	18480365.55	15046759.11	18544014.17	13838575.02	17814121.75	14910638.14	15712692.17	4983103.628	15037804.24	10054501.98	7692179.441	12684550.68	10914761.81	13333435.87	15208267.5	18501753.54	13123388.71	8701708.478	23073842.25	19652735.56	17148180.25	14989703.84	14901960.92	4841617.125	14808436.31	13654633.86	16541815.48	19043113.83	11375068.68	6843810.815	19527707.75	16541299.32	17017400.41	15348100.94	17972670.14	13530042.64
C66	Dihydroisopelletierine	143.1316	C8H17NO	Alkaloids	Piperidine alkaloids	-	3	498993.1092	767457.5058	1030143.17	950542.6467	773816.9436	457781.193	590536.395	610528.995	407760.108	442074.5592	524192.472	738999.6617	502847.676	622790.24	571089.9392	493734.3174	542487.3426	370451.335	465369.786	632278.0958	735101.73	539618.1606	703079.352	529821.8442	513809.9406	454541.868	531014.94	510071.542	527668.5222	404268.6493	294559.935	262919.86	486772.7002	545832.3186	533680.002	380034.774	475507.4352	440265.672	325828.6107	345017.82	438475.176	376637.0886	382138.163	397188.5058	342222.7644	376635.6468	311950.331	211079.395	311634.9774	373342.452	666083.8188	387497.528	304901.2832	301675.4692	178284.3372	272001.576	247130.9987	272442.528	245259.09	374290.929	422519.49	370971.009	185454.4086	266606.748	457779.762	421563.5766	428894.889	376144.6208	385238.8674	457886.844	320137.4187	286740.0064	267997.945	247110.102	276524.934	288413.372	399044.9712	231030.657	374298.498	409138.1442	250932.3138	325016.3232	376158.411	440681.8446	306376.7328	246105.734	223986.342	250013.96	468896.6517	289607.3488	268618.8744	448391.342	447450.3697	533617.845	377179.6815	321194.1114	394743.2368	309723.0233	204123.752	262881.9522	259535.5344	380457.108	174006.14	195489.3366	388428.183	153430.5888	184975.731	308767.2372	455914.6496	300164.0166	216043.6374	156152.704	219339.9157	303031.7568	163468.4004	288691.614	269096.1102	330274.5678	302511.1104	317369.016	255711.8808	290127.6468	331707.717	262529.728	160346.412	205528.59	251924.61	264857	237616.872	268141.6386	172548.8568	212697.2196	365166.1278	231709.7475	290167.892	211080.8258	292189.0442	386672.0166	382371.1272	280364.382	296933.6875	264204.8058	295861.6854	202715.632	183489.5888	343706.468	246632.8662	312925.162	238029.6456	370901.6082	403399.7802	314482.8583	246597.2128	267662.961	395592.5075	414872.1828	315458.631	314994.582	279132.48	317370.4578	370901.6082	197881.2828	249979.284	386193.339	304996.4333	387629.3718	256192.0002	210132.1833	350397.348	398623.0968	249021.9288	400644.6022	261963.814	338672.5267	395276.679	NA	324540.5292	304943.5836	333592.8	364508.55	297774.954	363252.8592	253948.6217	300164.0166	321237.224	335579.356	213654.5748	327840.0224	408458.6	321238.666	378515.5117	262406.1582	298355.9358	285367.047	215593.42	219414.2589	228023.46	325973.6784	368989.7814	405791.7264	312589.449	236595.0546	255234.645	353850.8067	306376.7328	247129.2408	251412.4332	262918.418	277699.3308	236832.6429	174937.9194	321210.4903	263362.0716	286005.25	168247.9674
C67	Piperidine	85.0891	C5H11N	Alkaloids	Piperidine alkaloids	110-89-4	3	5516854.659	2889867.146	13573808.6	11526651.98	14712407.68	12682251.29	10999950.22	2093160.983	13571187.93	13404243.49	12167654.07	17224378.62	11665834.2	11586103.12	12969467.56	8131822.684	14806260.55	10699275.36	20295029.95	16187027.85	11603782.35	16405646.72	15258613.72	9518500.249	11204286.78	17006796.12	12502195.06	11572987.73	12968561.41	16438869.3	17078261.65	12094171.24	13932222.75	8693798.819	10674075.44	11463457.02	17419829.33	16560431.66	16729042.83	16547986.69	13220645.66	12385819.02	12711111.61	12929853.7	13436508.18	13883889.34	12166618.37	9255298.107	6419102.733	11824891.03	13705976.87	12725988.1	11074307.72	6047411.721	6416327.797	17631133.51	16296400.19	12109685.9	7351339.607	7557598.165	12034271.2	12369417.52	14555165.17	17436564.94	14973774.43	12158048.34	17132335.68	17530361.21	5094542.267	9390851.901	7655523.742	12314776.25	12947378.23	10263020.33	12336863.81	11954160.31	16546050.93	15802502.7	10388424.82	12660618.08	13289532.08	14447638.08	15465161.9	13675857	9813688.817	15449067.81	14897921.47	8397544.613	12157806.35	9701819.949	14808814.13	8817158.849	12518917.95	10211974.65	17547794.07	8362605.44	7571450.738	9632915.19	11390854.17	14162092.94	16058967.6	10188197.83	13187323.95	16260732.35	10304329.28	14039819.2	11261999.4	9697521.023	6099726.229	19730834.06	8115091.577	9637820.059	13538784.58	14851590.45	9119496.208	9267480.371	11016638.13	14817022.69	11550368.87	14692778.33	5697178.19	17491884.88	12683049.77	7358560.301	20813844.56	9952513.212	9587838.828	4830924.555	9237789.282	10668854.61	12026244.53	4406951.461	5305347.572	11267385.72	10181399.87	8900253.979	15509013.87	10704596.33	12472301.96	18790267.07	11203340.79	14664678.45	10111698.4	10361652.44	13687006.72	12428877.87	11573220.23	9798035.703	4698875.101	14562620.34	7186434.397	9831599.637	15418397.71	12377329.15	18533643.06	13757322.16	18208217.89	15574033.23	15000192.38	18790923.98	9487372.535	12365109.19	15772524.27	5171425.844	17675120.77	5978246.025	12134164.52	15731005.37	13815126.5	10201859.13	9107542.402	13461530.44	10216910.43	6182573.778	9400148.403	15224775.96	12521591.17	13276745.09	7433126.787	15998178.18	11988348.75	14734911.61	11416016.48	14972269.79	12343825.81	13388735.21	3570053.939	12062737.12	7827369.12	5553303.921	9589264.688	8378649.557	11330508.24	12212149.86	14964558.8	9697635.499	6938832.3	18929168.98	16899986.34	13700964.92	11654650.7	12012355.16	3304660.272	11644142.64	11115773.97	13716976.04	14833597.16	8429805.205	4852653.378	16352529.66	12685662.97	13364207.09	12852082.46	14313381.27	9995756.619
C68	1-Methoxy-indole-3-acetamide	204.0899	C11H12N2O2	Alkaloids	Plumerane	-	1	423952.9375	155871.0423	2479452.921	1972859.292	2629392.051	1286832.367	3594229.54	59139.60333	1844259.667	2413012.175	614407.16	2137500	1649433.478	2167282.968	2404305.701	450748.8	2456464.667	1607239.443	4630115.121	2445522.769	1512872.81	3325274.684	3333811.938	389957.9173	1519938.615	2413654.952	3054763.531	2030714.357	2626780.481	4398716.133	1952720.089	2062494.87	2620936.213	539948.9809	1788412.922	1710326.417	4389856.717	5206679.903	2822824.847	2440605.336	2473571.553	1146943.719	1709717.106	1268115.439	1992415.917	4036936.61	1194742.667	480423.5228	314694.5423	1572764.888	999365.16	2199279.712	1421452.937	643601.4173	534627.3833	2458912.702	1354262.038	1203632.042	410656.4786	578927.16	2023845.7	1138443.292	1185256.811	3984741.565	1929586.589	1764485.44	2171461.726	2413542.681	400999.0333	999231.8111	979060.5091	690689.16	1525631.762	555504.2033	2184574.98	2643193.034	1911156.405	2309240.354	786202.0489	2795614.429	1819612.028	2726158.14	3551430.246	2671595.957	1299897.028	2726298.243	1505299.51	328125.7775	3276002.401	398847.2923	4444165.667	613970.1672	2365918.797	613280.2033	2632449.08	1071481.147	1180424.05	2119432.511	1253879.201	1060540.26	1093514.92	1275563.526	1162063.214	2116858.406	1191180.94	2575616.572	1195208.772	544097.7934	210855.188	2963712.625	234268.6593	668744.7139	1958100.439	2231831.687	465982.4933	1058187.81	2275619.313	1101248.452	592043.0422	2371538.785	492311.7033	1246638.983	2570008.817	624229.0333	2951144.796	574733.8256	1026987.922	648839.8313	1568671.77	854427.0275	917888.5198	299859.1875	515001.7922	1551845.81	1770696.388	322228.512	716116.4933	1476303.546	990534.1713	6378678.161	723954.5585	1810016.429	783679.0333	1370294.27	1222784.111	2004947.922	726985.7	932407.9212	183724.4173	1806076.186	622620.5033	2446496.862	1851403.478	911912.5963	3086161.858	1419707.367	1676008.478	2876601.551	1298532.633	1041845.417	608636.5422	1472096.37	1073254.542	474388.3947	2723237.418	435796.4466	1704671.688	1718528.478	1780704.312	1146710.649	1002859.187	370993.9173	3111040.433	167215.7251	1924759.928	978654.4233	1586983.868	1896417.827	780726.2556	2586686.506	1203462.228	1166059.799	974258.3205	3867380.671	1503566.256	2587351.334	231927.2963	1429721.492	1366011.292	280303.8267	605779.3363	533759.2281	144107.3667	1977202.937	2431690.81	583746.2923	262563.8267	1355347.827	4550678.194	2252072.37	262563.8267	427533.81	275808.3322	2217702.572	590202.9375	1825940.773	1587528.65	380830.4933	573980.7111	2137822.922	1225429.916	1784101.367	192613.7923	4722972.237	504534.0876
C69	3-Indoleacrylic acid	187.0633	C11H9NO2	Alkaloids	Plumerane	1204-06-4	1	7516784.385	2577206.415	41329076.06	30991730.78	42279495.4	25276710.24	50817979.91	1145204.773	32992175.72	36351186.09	12192855.2	33519785.01	28176935.21	33669892.75	39095960.79	8512167.207	41129040.2	28593391.34	58294284.81	40003292.15	29435447.74	47046688.08	47300754.21	7192488.099	26101055.26	39805954.87	47578677.77	35993800.07	42245612.53	55403505.2	36033261.01	35780236.26	40777369.45	10133923.79	27505421.35	33698500.56	56539251.18	61205703.92	41791828.42	40721922.82	39728898.9	21930800.22	30327486.72	22813503.2	35787255.67	55564910.4	22762681.21	6422477.356	5673354.195	28909175.89	14490536.42	37120932.2	25304663.69	12684647.43	9218316.886	39123047.27	23030784.63	18993050.48	6236003.312	9359071.695	35741206.48	18355237.87	19008720.04	59737857.54	30312177.31	32237660.2	37215222.96	36971785.78	7821363.841	19165049.05	16457541.99	10199047.8	27590573.62	10674724.13	33999140.52	43209398.64	32037770.23	37773224.13	14408000.83	42252791.17	31488080.85	44055340.65	46327208.23	39646611.28	20388011.73	39557956.05	28158923.7	5901263.199	47655922.34	7183311.82	58654556.83	9506885.509	33944973.41	12107355.6	44183516.19	16754424.21	20736214.04	35272041.91	23429476.63	20844204.58	19179970.17	21853788.65	19505845.82	37394736.3	21424222.14	39932482.76	25135754.63	10827540.04	3867646.698	45022705.48	3873885.982	12141763.62	32203764.96	37684585.95	7327758.345	20160703.38	38885090.56	20354113.67	10657346.05	37935900.76	7967972.648	22156021.98	42679769.54	9847866.11	43664937.97	9043461.165	15924283.52	11033895.63	25639017.95	17101019.99	15517718.75	5792981.675	8852587.211	26906003.77	29725735.46	6200827.386	10992793.24	27039942.67	18618788.83	65894492.19	10888909.53	28980052.66	13036370.37	22766635.24	19892588.67	32157848.31	14187145	16831478.05	3106646.322	29167692.76	12434380.02	41786870.16	35773961.05	15556891.68	51160543	24862669.99	30665812.59	46621533.67	22934629.2	19504994.32	10384226.52	25477060.23	18750040.3	10021419.13	45195867.31	7357009.129	29476174.2	29936852.07	30783809.89	21394817.35	18925819.54	9743335.773	49340879.83	2446712.913	30944828.78	17281044.49	26946111.64	34456695.3	15304516.52	43068224.65	22391288.37	21747870.03	17567343.51	55267233	24571152.92	42285560.92	3846893.382	21930605.35	26384417.35	4987645.227	12252570.45	10447963.31	1799959.763	33642279.21	41328293.1	10355929.22	4889527.184	27810939.49	36933116.59	38536531.82	5149121.801	8122211.039	4184063.665	40503451.2	12160142.3	32191140.34	27676557.64	7443524.338	9342883.407	33906664.54	26189564.98	31389207.31	4058427.563	63077776.21	8565322.909
C70	3-Indolepropionic acid	189.0705	C11H11NO2	Alkaloids	Plumerane	830-96-6	2	11900.77778	NA	50383.79225	38531.29225	26269.66933	24235.85617	76790.31963	3588.98475	39245.22222	48175.58571	19628.55556	26795.07375	44457.54225	45681.7482	57495.29225	NA	33856.81142	30231.35362	102275.7989	56478.83222	30234.54225	63367.73111	79422.41725	8808.99375	16094.58375	36401.044	71961.3	49092.49333	64014.16725	83288.56333	49027.92222	38491.90629	40807.07875	NA	44000.77778	43586.8318	105259.27	52519.668	65600.02283	46828.04225	60056.39	38122.719	37349.98088	31514.49889	44738.85975	65199.41725	23041.31	NA	NA	35343.14333	18940.74036	34640.044	17489.40375	17789.41725	NA	57230.37321	33115.92667	9575.452	11899.66556	NA	55717.41725	24900.91725	35832.8205	85155.82556	34857.86778	38448.49333	22761.168	39579.03333	NA	16569.098	24677.69662	17789.41725	32969.20667	NA	33013.42971	66984.35588	31423.10588	45642.79225	19207.2	56945.8471	39694.47771	57112.29889	53206.881	63548.33962	28750.7775	49659.27517	36237.9147	NA	51093.4464	14190.27283	72310.91725	NA	36671.04778	18067.03667	56137.43833	19571.4195	29052.35588	44795.14286	24239.274	17389.9824	20750.35362	18781.072	19171.9868	46722.77	23351.336	42712.6471	27274.29337	NA	NA	50976.41725	NA	NA	49323.4452	50135.3545	NA	28946.31	56310.04225	27269.61444	18260.09375	42271.044	NA	24193.38213	43353.7005	16547.36667	49198.54225	NA	24224.58889	NA	40510.044	26355.7775	14779.105	NA	NA	25403.31	33892.05444	NA	13612.49333	24890.925	9906.19875	113547.8267	11709.36	30356.9	NA	14902.0905	19240.70375	51101.3205	15269.044	10117.22743	9594.2	44953.16	12468.9285	40430.33222	52846.0452	NA	52449.49886	20566.50912	35445.14444	57064.77488	27268.54112	23491.0452	NA	24762.2025	24308.29225	NA	58270.512	NA	46823.10362	31419.79225	16380.012	16678.764	35046.6875	NA	79361.72556	NA	33790.29225	26527.28571	30237.73088	47461.0482	18917.60617	59304.1452	NA	31867.96556	13342.3665	70533.04225	37216.81111	43708.81	5874.61875	26627.13462	36192.1482	4089.168	16483.698	14232.16613	NA	37346.04225	59737.69817	NA	NA	28008.5905	97519.22743	52371.53667	16479.83738	NA	8289.714444	45484.58889	17846.656	37857.16	17013.192	NA	16568.55309	36035.7	29046.22863	36796.05462	NA	90159.21314	NA
C71	Betanin (Betanidin-5-O-glucoside)	550.1435	C24H26N2O13	Alkaloids	Plumerane	7659-95-2	3	NA	3019.530667	105581.976	38849.976	27851.967	22797.09333	1049.0065	7960.93875	3013.012	37853.976	11939.967	2014.024	999.964	8995.35875	3981.964	3040.569	12938.445	9863.944	6997.7325	NA	4016.012	191944.467	64422.928	1993.964	7857.889	3007.36625	15994.3868	NA	1981.956	11094.59	18929.976	18963.2365	9006.5928	259985.9988	1000.2155	3007.36625	NA	32141.36667	3049.8825	NA	26004.1964	7009.1952	1992.270667	1000.467	4018.014	5998.73125	991.1615	17911.4685	1931.696	4963.762667	76865.60625	NA	11901.92933	998.958	NA	39984.99375	NA	1007.514	5972.967	15073.03467	2987.964	30984.0892	5028.527	4978.06125	1001.976	1997.976	2993.976	992.454	1010.527	NA	2993.976	1000.7185	12042.03	1034.9225	1981.4265	2981.429333	11093.4888	5974.4685	NA	1890.655	14927.445	1968.3875	987.389	38976.8892	2064.174	32972.994	33801.964	1003.7365	14945.976	20843.43733	46747.467	14945.976	4946.454	NA	1000.467	47825.9775	1000.2155	NA	6970.97	2998.485	NA	20916.96533	2001.4865	14875.42933	25769.59333	15000.61875	NA	NA	3889.886	143727.096	1122.974	3932.8905	2993.976	18967.988	3017.525333	17866.93733	9919.596	4915.892	4985.976	NA	NA	NA	4930.91	NA	999.964	18929.976	NA	1991.65875	NA	NA	NA	1000.467	6979.7275	1045.4855	4978.467	990.91	1000.2155	12906.104	NA	NA	6977.976	NA	NA	11988.9825	NA	1992.270667	1045.4855	5983.4775	NA	3939.936	8969.976	993.6765	2012.016	1057.809	NA	NA	NA	3939.936	4978.467	NA	NA	2001.988	NA	4963.762667	13932.4685	15007.4964	15126.0912	1010.2755	2014.5255	6982.304	10948.2185	NA	NA	2098.7775	9003.2425	2993.976	NA	NA	5021.514	12019.2072	25988.5892	6807.888	5981.976	3981.964	18995.7425	18004.7952	3007.7425	14996.988	NA	5007.4892	9919.596	NA	NA	13996.5868	NA	5021.514	NA	3957.954	4978.467	17842.6872	47931.98375	23880.94625	3947.944	NA	16903.6875	52990.12125	52539.76267	2963.446	14945.976	23002.7952	31725.26267	28751.76267	15008.9976	13999.3892	6004.74125
C72	Indole	117.0579	C8H7N	Alkaloids	Plumerane	120-72-9	1	97031.97778	15513.798	295137.9172	223430.2923	336621.6673	193206.4173	410989.7892	36398.491	233420.3562	248479.0992	118306.3333	260765.6672	244764.7922	273832.2934	277617.4444	96623.48475	281284.6062	231404.2348	489834.1111	284239.1895	212763.0422	389940.183	357363.5423	75146.10862	211762.1	311471.6656	388814.89	272618.1673	321806.0423	490473.3626	254246.7923	268985.5674	350734.1111	91641.97778	268106.3333	269295.2222	489467.2911	519150.1672	329510.1673	340770.0423	350288.9809	192148.3044	232936.8559	174762.2211	236600.7778	388185.7717	208067.4444	101214.81	76063.81	203353.2961	163484.1111	293921.6661	214011.8889	146703.6086	112956.3333	304619.9173	223675.881	184289.6667	77860.31	99395.8992	251461.8889	174152.2348	207473	477616.0411	265158.89	260765.6672	257976.6656	309986.2309	95509.1307	158817.4161	150392.2767	131978.5556	234571.4509	105407.7811	290458.1695	362623	263350.7778	290989.5423	171588.7367	363882.4173	236370.381	341627.2391	398980.881	375853.7956	203101.8799	327208.6695	243371.3091	32959.531	377576.6464	110816.7011	511151.1895	108785.0544	294545.2923	109042.1144	350807.6661	167758.9195	203895.1684	253680.9184	221675.7934	158994.381	155262.0411	206145.381	172880.0049	271404.2911	176057.4195	368030.7923	222268.4809	106614.2	21768.7795	397662.0423	19415.7795	150531.381	267905.4184	328824.8799	89238.14333	186649.9989	293667.4444	184151.67	138530.39	325954.4173	92081.89222	195889.1321	408623.16	117700.8878	369808.6673	125427.9433	172400.7778	134356.3333	197926.5411	178961.3821	152769.8322	80255.64333	107011.8889	275581.2923	256425.1086	37557.2165	137328.5556	238978.5556	154471.8597	734447.8267	122267.6098	316551.9	136907.0423	234690.1672	182506.3333	323583.9173	135129.1673	158646.4848	25600.4905	272861.8889	105326.9	317031.6036	359734.0423	169838.7111	436456.8278	216911.4172	269090.7934	395291.5423	206222.4161	178923.2348	130183.0544	254479.0674	176561.8889	121575.1433	417767.2286	105228.5556	257182.7911	284470.6673	290989.5422	200870.0748	167645.2222	90444.2	399585.381	67950.13556	238838.5422	172400.7778	223453.8559	289211.6673	157648.9172	355436.55	209831.1656	215482.6766	171272.9222	524483.7922	209799.9173	408921.9173	23844.989	258395.1672	198556.3333	25307.854	150392.2767	132405.9848	47918.64333	348356.3333	339548.9786	132560.61	83503.23475	260765.6672	656639.1672	334264.8174	34326.7405	90961.88889	68272.64222	342547.9173	153378.5556	299286.2923	326956.3333	107801.9767	122581.9	323583.9173	219935.7767	264811.6233	68877.81	685958.4933	102402.9756
C73	Indole-3-carboxaldehyde	145.0528	C9H7NO	Alkaloids	Plumerane	487-89-8	1	49645.27283	11245.598	270057.1895	193828.9395	314639.044	144409.044	358868.0892	NA	198556.2728	230060.8687	57533.044	230737.3452	150866.044	218408.2452	267102.6062	54971.274	262966.1895	169010.4395	465059.6895	270057.1895	175520.044	361599.044	319058.2717	30765.098	167574.6072	270648.1062	393614.274	247637.274	304073.044	517651.2728	222192.9395	225830.188	288966.5228	56145.35617	208010.9395	210374.6062	456106.044	550613.044	352794.044	299964.044	259384.105	144991.9304	199794.4418	160146.6895	229874.8562	401184.105	164283.1062	47791.3275	45508.85617	179231.598	127973.044	209566.044	150692.0228	90405.044	63836.274	249482.044	188010.8557	154828.4395	43729.93833	59304.1452	236965.8562	126464.4395	148241.2556	476145.1452	235817.274	228693.0228	255939.044	272382.4383	43445.044	120929.044	112124.044	73981.6452	176269.67	65894.56737	274270.9418	310874.274	199342.598	268284.4395	84218.2225	294875.6895	242003.188	340086.4215	394682.2868	334066.9452	155747.188	295549.9418	205527.0464	30106.48222	429250.2464	59304.1452	512333.0228	78009.27283	255395.5452	85649.8868	328140.044	105528.83	116859.8464	277705.3452	167917.6452	133561.8868	136191.044	161737.188	160512.3868	235394.044	137388.4452	303148.5228	187323.8464	86885.274	18068.70444	361012.044	24181.794	82056.4868	226627.6452	292869.2868	50705.0775	154388.044	314966.8562	111098.4525	71633.2452	240090.044	61693.8868	141993.8892	318215.2452	66338.044	340376.2728	79839.044	92753.044	72795.044	182575.7717	151554.188	99210.044	47281.60617	59881.044	231872.044	228660.7717	52650.598	69848.1428	170783.1895	109918.7728	756521.1428	80963.85617	223066.6167	93373.10617	203874.5228	148919.2728	251830.044	127055.3562	124423.3688	27781.35617	229874.8562	81078.0345	356316.044	244240.6452	116921.158	388667.2452	176724.1452	213329.1895	366049.866	183119.8428	145020.7452	72680.77167	164704.6868	127037.4383	64491.4992	381557.044	54784.3275	216874.6895	256903.4778	254102.4395	148784.67	147146.5228	64418.1895	390634.7025	28372.27283	235394.044	126482.274	215101.9395	266486.5327	122103.044	325260.4452	154076.9161	143407.17	116941.8111	458494.9383	200329.0228	312291.044	23789.66667	182595.1452	177281.044	37230.77167	88443.866	86282.10617	NA	283648.2728	299912.9428	81634.098	35463.27283	201969.4452	706744.6062	312632.9868	44626.6452	59304.1452	26996.3675	311627.2005	78009.27283	269440.044	199067.8464	69736.4395	95084.8428	264580.7	197346.605	237639.7112	21872.1895	635836.3452	75595.81
C74	Indole-3-carboxylic acid*	161.0477	C9H7NO2	Alkaloids	Plumerane	771-50-6	3	47051.31683	28503.7775	21147.399	21125.6127	16390.899	30499.36444	20647.93767	25077.33333	16893.2775	23050.43086	32113.45167	27827.81	17051.62375	10579.06683	18264.444	25123.644	NA	24098.20556	NA	22281.05375	23283.5064	48472.5885	31745.9725	42266.92	NA	14852.12375	45787.63	19266.69778	49914.6005	25903.899	39731.785	16902.63	34839.8094	11085.40125	17507.67875	40708.31683	22454.55086	52961.5595	31326.59833	23655.5	29148.87375	15755.5405	18690.95222	20488.468	NA	26386.55283	23482.0595	30502.53222	41645.34222	15401.99875	30798.49875	18151.37375	18155.5	29083.308	15844.1105	18301.827	23987.63	16059.03222	51324.0216	21450.62375	20871.36444	21893.28556	34936.827	13008.33467	24800.468	27505.5	24881.7943	31618.6296	18733.75444	22816.4364	25871.3605	16806.336	19163.59875	12640.4395	8320.827	14302.24875	23655.5	15788.45167	13341.20436	29112.468	42294.06683	12756.827	12693.40017	20600.336	23105.5	16974.09875	19010.6105	17992.63	24532.63	12849.36556	26422.3692	31085.6245	29263.33467	41058.59875	24199.5295	13142.47375	24513.57125	22936.14283	23053.50343	15799.57125	24577.644	35029.4725	27174.27333	14711.90625	19800.99875	16385.14283	19114.72617	36123.9725	31124.89283	27921.59875	25649.46	22936.14283	16890.05283	22811.42875	24170.2955	25299.74875	14974.827	22318.45167	23722.468	17991.29	21657.9053	32293.2225	74206.9715	19531.054	34066.20778	20338.58778	36270.297	24749.87375	25240.7428	20622.15017	27374.22375	11497.7225	34655.5	31905.5	38065.40017	18856.327	19949.468	35977.63	25487.43167	24363.6553	14972.55086	14420.327	19370.8548	19251.12375	36810.1053	21079.5874	60502.63	15941.65333	28691.12383	21807.63	20090.399	25958.2921	17625.34222	14276.899	9434.0785	19627.63	15307.3165	26211.64283	27493.7335	8947.946167	39187.61833	27793.13	19597.61833	70403.33222	23030.04	19681.651	19219.55	12224.4122	34282.71	33890.651	26147.44625	24546.55667	18178.02	21702.0853	17745.025	23947.28383	10361.0455	73026.46217	28395.3095	26401.6116	37696.59833	21122.6086	42220.72067	92334.4695	50736.408	34395.14167	10707.3825	36771.64	11673.55375	26549.09833	22989.9725	23265.06683	8978.244	22897.63	9055.695	34305.0384	21304.89517	53507.47617	23265.06683	20577.5064	19778.96333	18733.75444	20387.88375	30624.0116	19832.5075	24288.1105	16901.2116	39792.63	13686.7225	39859.5595	17739.3255	12313.14222	34290.11833	34746.408	45173.45167
C75	Indole-3-cyano-2-O-glucoside	350.0936	C16H18N2O5S	Alkaloids	Plumerane	-	3	79961.68667	178422.4385	83061.05657	70536.62	108547.1887	26388.9879	40144.6771	47033.8575	57611.8386	14288.82	93974.8125	36046.2121	199546.273	86201.6885	241711.1885	27179.57444	22190.9868	NA	18487.3275	42743.547	93434.6885	70155.81	91572.1897	18043.9463	28786.7879	33040.711	32080.43345	237493.047	187432.047	47369.7379	119056.047	293048.547	234478.1885	59353.7868	222348.645	75162.55429	75710.547	77595.984	61248.15533	81979.2864	36305.43111	89872.8864	33968.9397	32883.62	79984.047	135199.8125	59126.9455	89872.8864	88624.93967	167308.3815	30470.9013	141654.6885	104298.6063	24106.08667	167622.0876	43127.97667	44113.475	NA	9197.3775	45651.211	22719.06222	53134.74	9774.105	53144.52	63065.711	100667.6885	100741.047	44827.33444	98218.5625	28567.73127	150475.1379	42577.94229	169140.1315	76331.65556	412341.0637	82585.1885	138038.1885	52535.90778	15452.34145	91548.05657	29676.9463	19603.23933	40217.3013	34072.61778	NA	154430.9787	26580.49055	211954.9876	92194.047	36460.80375	20430.211	57954.699	64502.6885	249700.605	208774.2383	14399.9879	76928.146	67920.06375	26824.07127	24335.3771	286271.9787	159737.1885	180804.1296	27425.1513	23991.1879	16949.42473	33043.4621	27783.29667	57872.4385	51328.46333	NA	34842.211	400496.547	124777.6885	116339.1885	87324.06375	67417.5876	140068.6386	20618.99778	232067.1885	NA	68568.6662	64111.047	61050.2125	94590.265	47634.04817	NA	47368.8864	28409.8152	206368.5983	58805.55543	NA	266611.9876	174635.3815	68975.76556	23002.79164	17677.3002	121498.047	64063.95617	184379.547	109302.9648	21372.1755	115977.3537	42044.7513	83667.27086	122091.8792	47706.13	24033.211	172371.0621	102494.9408	91017.75222	49734.0397	70936.77086	24633.711	104366.1755	169117.047	104904.1553	238746.6315	294753.1885	46008.58667	121371.4089	57403.3815	102031.74	18413.589	51927.1865	110549.0571	178110.13	21841.9397	118203.7889	58417.50111	18049.2264	56216.314	332007.8098	103321.152	76369.332	22047.2651	114766.8792	209204.0897	65717.273	27272.26473	61583.6205	85501.88267	20276.09833	47932.6152	125205.0085	37171.5513	28784.3868	NA	48137.2341	28721.0376	103793.547	87378.0675	19600.6662	87310.047	18512.86691	141611.9527	235210.9432	273899.5876	71735.6885	178809.906	82110.74	25706.84	30800.28833	139471.9078	54949.9814	113943.9397	439473.9397	NA	17516.79444	90362.547	32496.9341	35504.6841	53732.547	52440.43733	NA
C76	Indole-5-carboxylic acid*	161.0477	C9H7NO2	Alkaloids	Plumerane	1670-81-1	3	47051.31683	28503.7775	21147.399	21125.6127	16390.899	30499.36444	20647.93767	25077.33333	16893.2775	23050.43086	32113.45167	27827.81	17051.62375	10579.06683	18264.444	25123.644	NA	24098.20556	NA	22281.05375	23283.5064	48472.5885	31745.9725	42266.92	NA	14852.12375	45787.63	19266.69778	49914.6005	25903.899	39731.785	16902.63	34839.8094	11085.40125	17507.67875	40708.31683	22454.55086	52961.5595	31326.59833	23655.5	29148.87375	15755.5405	18690.95222	20488.468	NA	26386.55283	23482.0595	30502.53222	41645.34222	15401.99875	30798.49875	18151.37375	18155.5	29083.308	15844.1105	18301.827	23987.63	16059.03222	51324.0216	21450.62375	20871.36444	21893.28556	34936.827	13008.33467	24800.468	27505.5	24881.7943	31618.6296	18733.75444	22816.4364	25871.3605	16806.336	19163.59875	12640.4395	8320.827	14302.24875	23655.5	15788.45167	13341.20436	29112.468	42294.06683	12756.827	12693.40017	20600.336	23105.5	16974.09875	19010.6105	17992.63	24532.63	12849.36556	26422.3692	31085.6245	29263.33467	41058.59875	24199.5295	13142.47375	24513.57125	22936.14283	23053.50343	15799.57125	24577.644	35029.4725	27174.27333	14711.90625	19800.99875	16385.14283	19114.72617	36123.9725	31124.89283	27921.59875	25649.46	22936.14283	16890.05283	22811.42875	24170.2955	25299.74875	14974.827	22318.45167	23722.468	17991.29	21657.9053	32293.2225	74206.9715	19531.054	34066.20778	20338.58778	36270.297	24749.87375	25240.7428	20622.15017	27374.22375	11497.7225	34655.5	31905.5	38065.40017	18856.327	19949.468	35977.63	25487.43167	24363.6553	14972.55086	14420.327	19370.8548	19251.12375	36810.1053	21079.5874	60502.63	15941.65333	28691.12383	21807.63	20090.399	25958.2921	17625.34222	14276.899	9434.0785	19627.63	15307.3165	26211.64283	27493.7335	8947.946167	39187.61833	27793.13	19597.61833	70403.33222	23030.04	19681.651	19219.55	12224.4122	34282.71	33890.651	26147.44625	24546.55667	18178.02	21702.0853	17745.025	23947.28383	10361.0455	73026.46217	28395.3095	26401.6116	37696.59833	21122.6086	42220.72067	92334.4695	50736.408	34395.14167	10707.3825	36771.64	11673.55375	26549.09833	22989.9725	23265.06683	8978.244	22897.63	9055.695	34305.0384	21304.89517	53507.47617	23265.06683	20577.5064	19778.96333	18733.75444	20387.88375	30624.0116	19832.5075	24288.1105	16901.2116	39792.63	13686.7225	39859.5595	17739.3255	12313.14222	34290.11833	34746.408	45173.45167
C77	Lyciumin B	896.3817	C44H52N10O11	Alkaloids	Plumerane	125756-66-3	2	46691.26633	29232.9125	NA	30336.0992	15701.6625	35186.6625	39197.24375	66579.1625	24305.4	NA	NA	NA	20587.2992	39689.1935	23345.8485	44856.52875	543.24	NA	NA	8628.312	11353.27875	104416.1256	53830.61133	60758.2605	30664.25375	48855.0985	79009.66125	11910.16125	37457.3485	89105.4	33120.433	45907.56	NA	36300.4004	24974.0985	34025.4	55614.63233	22753.6992	32034.76633	NA	55376.59967	47667.2992	20663.77683	16320.1125	NA	NA	48717.9125	NA	37404.504	22838.11017	102760.6113	52494.53625	NA	65217.60783	NA	74861.09383	NA	61207.2992	48930.11017	96411.2992	124916.7698	59258.1935	539.9705	NA	47134.4004	26186.90667	NA	13578.433	50882.9125	32557.595	30448.27683	42957.278	56707.56	1593.622	34796.9435	54365.9435	NA	NA	27543.30883	36810.4125	33424.468	NA	34205.34375	31115.3905	71594.7855	NA	NA	29702.9755	58574.9076	23455.46	28273.9435	33029.28875	32562.59617	82074.89217	13028.9112	NA	51020.3124	51002.595	NA	NA	39610.095	NA	30868.32983	NA	40709.0124	21298.41667	27091.5004	37376.8992	69738.4368	NA	20909.36	17231.5355	39091.59967	24847.56	32083.94467	24977.933	NA	NA	39628.3485	NA	23096.37	27003.39217	52096.1112	NA	73122.4992	NA	14196.80111	19599.5702	22737.9125	NA	24958.7605	9826.7745	20584.581	43305.4125	46113.0105	17378.26633	40247.7256	86925.27375	NA	45050.6124	25034.88	29252.8992	28379.8	12995.4125	51104.4435	9664.7205	116352.278	NA	17376.1136	53278.77683	15197.595	29377.87667	541.4795	36064.701	NA	52061.4225	31472.595	15135.90375	23885.3124	33166.1935	15771.52683	41047.56	NA	38058.4435	64045.1124	27668.9088	62433.433	21178.09967	17396.94117	68375.87	24468.86017	22212.66667	27007.56	48930.11017	15823.96111	546.5095	28267.09	75669.954	42884.8485	NA	46748.609	NA	21720.933	NA	21178.09967	53814.109	NA	37124.30833	25108.306	67301.3124	115178.475	44513.0985	25630.46567	16380.1405	19642.90667	33642.595	NA	23295.2992	39307.64167	41978.03317	16983.45	15206.933	38199.8	81395.09617	54374.278	55342.595	NA	57311.3905	97294.109	62832.0992	65791.278	38602.02683	69479.5985	75866.8905	NA
C78	Methoxyindoleacetic acid	205.0739	C11H11NO3	Alkaloids	Plumerane	3471-31-6	3	347881.5422	146145.1428	2014280.224	1723712.19	2184988.493	1150888.417	3168770.391	58856.38778	1656990.167	1830229.668	481222.1672	1758329.042	1467942.792	1845120.7	2120942.057	477716.7934	2541216.132	1336239.104	4052067.511	1985897.042	1395049.917	2928200.236	2736899.888	337214.2923	1401024.49	1969896.167	2619406.114	1690465.213	2032704.033	4003818.313	1738607.367	2003207.065	2319604.375	520982.9809	1513734.543	1760106.917	3950609.464	4232876.759	2471931.324	2257714.215	2364641.763	1124910.219	1570767.046	1228392.729	1785589.792	3460241.37	1214299.292	357956.1672	366845.5423	1611104.512	923674.4933	2033103.31	1270479.106	725976.2923	430351.3452	2276260.956	1095449.816	852693.81	296884.4786	464208.4933	1863816.292	814870.0423	992145.1444	3471394.198	1625686.945	1486754.606	1724177.826	1620714.044	306510.1444	989782.9222	833285.7	508482.9172	1309100.505	468346.9868	1747437.67	2361142.536	1579522.856	1819369.417	747043.16	2550128.548	1632936.593	2352324.681	2562318.33	2350259.458	1192243.87	2162958.976	1406999.843	297947.0378	2708407.526	375142.2923	3523155.625	449813.0422	1789809.659	459210.87	2402634.726	764925.1467	1124338.856	2074437.278	1168831.201	902925.7775	846118.6978	1168293.966	878688.7033	1734820.826	948097.2733	2370376.224	1060853.274	555951.5434	181545.4286	2482856.39	170162.2843	558513.37	1689609.883	2227173.07	400625.1673	989654.105	2032714.417	926009.1299	527222.8452	2221254.967	399629.37	1152133.706	2286493.031	532102.3667	2518180.965	552856.5478	980805.0422	530437.8267	1429863.979	809552.5933	798192.3536	338399.5423	504334.5422	1333951.31	1461614.166	340034.1111	510260.7922	1400383.542	787016.6673	5623111.664	520676.044	1446947.429	644194.0422	1275932.292	1032472.293	1824237.922	717679.5422	844501.2922	146981.6673	1697881.292	555292.6785	2207898.541	1715575.7	849000.0856	2847190.946	1272659.033	1614000.144	2671871.072	1226480.31	938728.6672	494259.9172	1305388.537	835800.7778	418403.9173	2376948.492	404542.3667	1604669.916	1611637.922	1710421.59	1160490.204	970137.7922	446741.2728	2541794.346	122684.0422	1683065.667	810807.1684	1527366.356	1703643.16	704049.1672	2379799.748	1211208.416	1061760.269	840962.9222	3508315.11	1285252.023	2290501.079	229380.7309	1303188.048	1340798.19	218920.7428	479332.4613	468014.2728	83280.14444	1545255.356	1903913.979	575449.5423	225089.2846	1363640.792	4028815.499	2055874.703	216283.7728	332103.4395	194377.0544	1946364.197	613970.1673	1532156.493	1328862.661	300508.7131	488900.1796	1761639.033	1165608.499	1417434.242	165464.9395	4210553.52	398008.81
C79	Methyl dioxindole-3-acetate	221.0676	C11H11NO4	Alkaloids	Plumerane	57061-18-4	3	19033.94625	18041.76	14715.25875	13719.18	10709.9352	27354.134	18703.3372	28240.1084	18110.23462	NA	10618.71733	10821.6096	15650.48229	15466.7352	23520.3348	12624.0096	NA	NA	8164.329333	13827.9108	15507.39429	18018.3045	NA	NA	24730.236	NA	23488.836	10709.9352	14837.1184	4237.42	NA	13869.98933	7142.3352	22837.6096	25197.8965	8947.3275	14126.88375	5289.85	8274.65625	NA	9594.128	10959.085	16829.6096	13011.978	NA	NA	15075.656	NA	11424.3108	12179.3032	NA	15528.19017	26946.08662	26672.15687	24530.49771	16023.5184	6546.090667	23911.6995	16719.7415	NA	24232.54629	10672.11	NA	NA	31631.61771	NA	8290.9004	21417.20325	28801.79662	35851.1688	NA	20643.05067	13263.488	9778.5284	15925.71733	14290.56556	13922.26	12023.2096	25337.4372	13827.9108	20970.99	12670.236	26617.104	10079.61	15064.7276	20856.67267	20804.50629	15082.236	11428.616	NA	NA	18396.3184	14804.6028	27823.24571	22522.11	10684.7184	22753.773	14819.61	11302.634	NA	NA	NA	NA	17395.092	NA	5354.067	10704.567	7287.642	26960.99	14105.875	28334.1324	11375.091	NA	19898.32267	9691.633	NA	20937.176	20516.0384	NA	24862.7016	18076.2276	11551.05775	17838.567	21628.50625	NA	14426.4096	15464.134	12579.8844	NA	18921.4115	NA	25569.73714	8675.478	NA	16309.7025	14934.09625	10934.1435	31379.8585	20318.7688	9515.567	NA	NA	19398.06	33051.2096	NA	NA	9559.97125	11608.7272	13588.705	11661.408	24187.88533	14689.85	NA	NA	NA	16672.7424	18543.98	11982.02412	7873.922	NA	19229.6084	NA	24715.06971	9187.4235	13761.176	28969.85962	11991.46133	10722.5436	11502.26	NA	19143.176	10819.8084	25936.236	NA	20744.61	NA	NA	30448.18013	NA	NA	15464.134	31025.016	7181.98	NA	20842.6436	NA	20842.6436	NA	23953.27412	NA	30817.11	20395.02171	NA	12981.052	NA	NA	16061.3352	NA	NA	NA	14126.88375	15006.10912	20438.46	NA	NA	11693.507	10079.61	NA	20989.59086	9543.5775	6405.492	NA	NA	NA	12506.3424
C80	"N,N-Dimethyl-5-methoxytryptamine"	218.1419	C13H18N2O	Alkaloids	Plumerane	1019-45-0	3	17884.4595	6971.445	35762.9595	23837.958	12884.424	36746.958	66058.72	29795.958	27634.56	63573.9595	13879.59333	63399.924	9938.4595	62564.958	33554.56	62564.958	64132.008	14812.896	85403.958	39745.961	31703.924	41785.4685	68522.958	85425.4595	1971.898	73748.972	25823.958	14900.958	37749.4595	74499.7095	189668.958	33526.22	21710.892	55627.9595	5927.893333	21714.56	68540.2095	66553.7095	25830.4595	41722.4595	86418.7095	14790.384	28802.958	26816.958	3978.9595	32562.392	35527.89333	24830.958	NA	78472.7095	38379.936	22701.22667	62580.7095	3939.936	43321.938	83713.972	78861.21867	61571.958	37659.59333	86717.97333	NA	21851.958	45854.64	76466.958	51197.938	3978.9595	39825.973	81707.304	11924.9595	18877.7095	31901.30667	62440.928	65444.949	59167.888	38732.958	18877.7095	5014.008	60609.461	41412.88667	27809.958	46349.888	45612.966	40657.449	32699.92533	27512.8225	44702.2095	NA	2889.5175	29795.958	28554.438	16891.2095	35762.9595	8976.472	NA	35445.938	NA	4926.438	10833.438	21806.26	90209.6975	28916.14133	46606.449	NA	93347.958	49328.61375	73524.961	NA	35527.89333	74943.888	46665.2065	25665.948	6946.449	69533.4595	57498.4475	12914.958	60594.2095	34769.7095	7867.8965	45695.4595	14763.936	22816.2005	23667.88667	25615.91	NA	135531.972	10908.1575	NA	43428.56133	52634.958	17852.949	38732.958	NA	10024.008	49328.61375	44092.008	11031.51	50738.2185	20864.2095	49536.886	59447.92533	54274.56	35527.89333	4012.008	20726.365	22844.958	8016.006	47669.958	76486.2095	NA	31709.25867	46688.7095	61571.958	20820.91	25782.966	39363.936	50829.472	44857.97333	33690.592	20811.92533	69515.958	7951.9595	34699.6975	17884.4595	73487.958	16886.958	23643.94	47669.958	58120.008	26823.7095	32534.88533	27634.56	50531.92533	26375.265	62757.3648	8889.394667	1981.4265	63573.9595	19807.8776	27816.9595	17924.973	28742.09333	47319.88533	36783.964	43697.958	32708.78375	51817.304	5987.973333	57466.592	29795.958	2969.1765	38650.42667	51654.9595	69342.924	32783.2095	5969.964	55627.9595	5952.926667	32567.89333	8942.958	30742.449	NA	55830.64133	20678.438	63573.9595	56091.936	45683.958	3977.958	2961.6615	NA	21930.972	41711.958	32774.958	23837.958	14780.91	41860.972
C81	N-Acetyl-5-hydroxytryptamine	218.1055	C12H14N2O2	Alkaloids	Plumerane	1210-83-9	3	NA	33435.285	101287.5425	81242.07133	74535.87583	58298.877	73118.37517	NA	NA	78230.5088	70965.4035	70038.07133	49219.785	55118.921	74699.73683	51605.87583	56378.04133	56724.0475	89830.377	73586.877	48808.1484	96527.29483	68727.53625	NA	59763.52783	NA	78350.708	39173.12	74743.492	96172.1535	76446.70917	NA	NA	63519.40817	46828.7925	45630.475	98153.08533	108318.4047	71669.62583	61298.53625	73580.45917	39006.285	65010.04833	53512.04133	85045.45917	63081.87817	74535.87583	NA	54214.083	63070.87583	48307.95733	NA	63502.40467	NA	NA	75626.569	66478.293	54664.7076	NA	NA	67231.07017	NA	73580.45917	89637.07017	91741.377	66297.48683	84043.07133	49695.0425	55099.40467	57895.23683	60701.40467	NA	43210.9805	35742.6836	76361.9112	59425.28375	84082.708	NA	NA	86844.07133	86789.81317	70245.45383	81577.11117	NA	NA	113920.4047	84785.68683	75966.62517	106786.785	NA	NA	67798.91125	59788.5575	85475.79417	75626.569	72832.57017	79367.6535	72442.03625	83109.40467	62866.27375	64700.12267	NA	NA	68813.81	49226.41125	NA	59773.0725	47621.569	66618.25125	63138.78375	57247.0395	NA	84984.3225	83983.062	66303.40467	NA	77507.40467	54134.793	103189.3747	113910.2368	64579.293	60256.14375	88711.40467	NA	107384.738	53227.32017	64031.877	65941.66125	86836.32017	60775.9585	NA	NA	58943.984	67225.069	57584.03625	NA	77507.40467	66864.421	59244.04133	133503.569	67243.0725	68803.37583	81242.07133	61267.3088	74460.9088	102707.2368	79479.136	85902.73683	NA	102251.877	50112.288	87769.9035	85626.8472	74302.8848	83326.00457	70965.4035	31951.7265	82051.2616	60695.98683	81256.57367	49219.785	83983.062	52561.2925	59762.4035	75633.32017	70965.4035	93636.04133	81223.7925	72832.57017	68311.152	75497.877	58834.07133	99719.54417	NA	84991.907	78448.0725	80308.40467	123235.069	NA	144718.4868	83101.98683	95786.5255	NA	111178.9117	94716.285	133748.3735	50403.6	62346.921	80788.785	NA	76560.069	65363.9035	52940.91125	77288.1088	89637.07017	77587.136	57946.91517	113910.2368	96573.285	105168.0668	NA	79473.13486	49219.785	87923.73429	83585.53625	73772.738	96180.738	57584.03625	93429.745	76573.738	81074.9112	53756.288	57716.77771	94973.44983	47890.921
C82	Serotonin	176.095	C10H12N2O	Alkaloids	Plumerane	50-67-9	1	72828277	56466469.49	59501189.95	35113615.55	10544419.35	42838058.21	20024881.89	74117346.55	22444656.51	77465309.39	73165255.2	31337385.53	40637639.13	20589145.51	23594219.59	100451179.5	42467393.4	66123222.67	4170938.187	56022065.05	NA	40151233.63	29108982.34	90925723.76	NA	37708812.12	24558862.85	46711398.66	33043893.98	24166926.93	29390005.01	8431504.904	42675569.23	65718837.26	23865097.35	48285197.41	34116116.66	33688002.18	54270832.92	27163814.77	75231634	37868848.44	33226155.5	31243544.35	37954601.35	40643270.4	69547491.73	42448433.45	NA	36083367.86	36511611.32	63667535.34	45603394.06	62039692.7	15173902.84	40236794.53	52413591.02	39046389	57004901.15	37555434.56	77262680.58	38609238.12	43653149.63	35297922.56	101111172.1	29796069.38	24620448.76	41371079.84	45363017.83	51910734.34	41277668.8	43444097.66	38434889.16	30116691.42	23813228.13	28076865.47	83259469.23	38225219.76	58139801.81	62494157.51	68361237.51	54899239.7	19494176.04	15882145.46	27303369.82	84538777.87	72554804.91	109234403.2	32984848.12	30866623.59	86759961.16	77006915.5	76947136.89	NA	106647444.2	21923721.55	50931002.3	39102993.04	50120243.68	NA	110444289.4	89132765.07	54988350.7	46673961.23	11622667.17	52643768.39	64239252.34	62614476.29	48188720.85	46867603.37	104166703.2	43332759.56	19644554.09	29629128.44	91908506.95	70342052.28	61397229.76	87640055.27	23399322.43	49253556.82	80048612.08	33024466.57	45309168.28	51831431.61	27946167.55	52371023.08	33102693.51	43594243.88	48402719.52	55527106.65	44138152.42	75703850.03	59689907.98	56843274.37	16748933.17	24510336.27	34997085.4	81024294.46	53908475.86	20507893.67	15106112.03	12628647.23	41307862.98	NA	74839229.01	28801327.02	79195854.2	27332975.12	27218587.56	96617818.21	89734488.41	47931068.88	24903772.94	40364832.78	23042322.93	20668771.79	36133014.56	18338594.91	42840881.19	43704081.73	NA	17691271.06	113841898.8	55877868.29	88682786.07	33669146.95	70971458.1	40385290.3	41567701.01	96413461.79	62062328.27	19087955.52	37757725.55	79727311.17	46916983.25	16042215.64	45227792.84	109537346.1	68488084.85	24915202.62	65173520.41	52310482.51	61267893.91	19949267.52	75957406.41	24848139.51	75037613.74	47960239.83	125316820.3	26001368.44	110170973.7	93943634.55	30062883.64	52387546.62	56240892.99	24705069.48	92387331.14	57326622.34	50054613.85	22651744.4	28960021.82	32009391.47	67830139.38	41316304.61	NA	57798452.48	45447646.45	66802038.84	36361070.83	47653812.15	71531135.49	27443952.08	68151320.05	56609423.76	62476931.32
C83	Tryptamine	160.1001	C10H12N2	Alkaloids	Plumerane	61-54-1	1	7141125.27	2255464.857	6403974.457	10627011.86	6485109.833	4355647.797	1738635.977	4638023.945	899594.6688	5097468.536	2847258.7	1059913.052	2230774.674	1429260.443	1274052.269	4306404.674	3889649.92	7080698.532	584387.5	3243904.674	5246899.601	4828329.926	896807.7767	4415652.193	1644602.602	1801213.546	15181486.66	1442818.12	3935227.373	3776656.318	1189103.023	1114823.952	3163448.78	3137901.25	1667346.411	9216776.344	2429271.151	13592654.25	7539095.221	3181230	4737869.561	3239561.88	973675.9433	737729.2479	5571957.859	3239278.296	4092862.528	5765924.981	6393448.332	588725.5767	10385811.1	5009930.651	2267941.151	2765164.523	1095062.762	1041192.143	1081019.364	744068.8752	2141480.52	2596748.028	19360119.03	1689014.651	4700738.74	1311373.453	6060628.101	3660456.269	1830058.978	6427539.182	6600851.294	612029.4972	5095474.767	1818681.521	453655.488	854993.1698	1211887.5	684831.672	6592644.591	1302512.5	3036637.969	7086757.5	7569545.962	3117030.031	552055.8089	7051952.716	2538281.503	7167250.657	4051990.503	5707484.789	2672587.031	735860.8268	17743729.91	6114331.955	5627284.547	11184552.84	18622773.34	5984435.118	2772574.567	1936716.32	4556087.633	1181971.449	3746351.021	3828196.646	4918428.254	2988859.878	1404245.821	4142826.688	5928233.683	4754258.317	3188093.669	9630079.499	6722126.619	3595014.98	1609475.152	1382111.371	3787787.447	3187578.475	2341347.214	4012513.151	4141605.182	1114393.62	6903234.453	2555461.367	5669118.959	4645835.541	3178305.13	1932965.666	2826636.221	3694091.467	6085437.5	1782437.089	2356468.498	3183479.499	10999385.63	6333351.25	2477032.717	5764941.265	771848.3279	3650940.637	3361228.373	3593156.677	2831073.691	2545012.5	1835012.5	4497335	2114512.869	3376812.507	15201878.6	1638545.3	776193.4989	4520010	3333503.652	4618560.433	1477652.391	948299.4444	848285.1036	1515547.367	1708668.563	1275141.151	4196343.284	2733650.292	5056381.754	2747129.809	5200115.046	15346001.25	3219042.812	1098073.699	4730759.609	6142534.077	2810683.89	9584707.586	4478879.605	1404887.61	1779026.698	3774716.003	1584837.374	2448392.366	3651163.694	15848365.09	7086071.719	5974047.92	2887255.832	3265779.977	9005929.777	17948866.23	17401188.16	6598744.507	3849898.249	5233621.472	5672826.896	6106287.292	4457606.753	8684371.399	814672.3433	8332096.848	8264787.553	6980116.565	8131944.64	12680468.48	6651964.089	4724576.806	4854149.162	1279344.033	3598712.609	5121299.814	2476085.01	10099514.07	6483382.805	10850124.76	1679233.503	6888091.847	2142600.151	1722210.719	11092842.93	24088069.43	3067906.699
C84	Cotinine-glucoside	338.1478	C16H22N2O6	Alkaloids	Pyridine alkaloids	-	2	NA	NA	12365.6205	25211.60133	19614.936	8342.78	NA	17172.8705	NA	13340.7204	13726.944	NA	9501.714	8245.1205	8242.119	NA	10992.1205	10420.278	NA	NA	10180.214	35795.1204	39611.23367	7642.278	NA	NA	54944.1205	14152.726	NA	42035.604	NA	29173.48875	9435.5025	12611.60267	5498.1205	NA	13739.1205	30127.104	6113.716	2211.6645	13311.936	11459.7884	1377.119	2751.1205	NA	3560.5175	NA	45999.619	28837.119	NA	30820.26933	NA	20886.89963	2234.976	NA	NA	NA	NA	12365.6205	8539.2675	NA	7120.86375	15976.278	7642.278	NA	39303.6204	7008.936	NA	13340.7204	NA	NA	8336.778	NA	NA	9905.990667	NA	14042.4204	NA	NA	4436.9325	21010.60133	NA	NA	31972.78	46703.1205	20599.119	25463.65733	NA	NA	NA	25211.60133	21547.78	14420.619	2917.275	12361.119	52530.60267	16113.26933	20892.528	8245.1205	7558.3705	2212.416	17513.936	10305.3705	13903.97143	15292.78	15211.66125	NA	13902.78	NA	54773.3625	NA	NA	26787.3705	NA	19918.61125	13311.936	18910.10133	15976.278	26100.6205	NA	NA	47628.26933	NA	21715.936	48076.6205	8409.602667	NA	NA	7558.3705	NA	9725.778	NA	20633.3625	NA	NA	46016.3705	11560.444	NA	NA	44104.6125	21344.6125	8336.778	NA	10451.58938	NA	6257.78	NA	9907.898	NA	NA	NA	8342.78	6184.8705	NA	NA	22226.778	9037.78	NA	NA	15412.936	NA	26327.98875	NA	8931.8705	NA	6947.778	NA	6253.278	NA	11809.278	6257.78	18214.26933	NA	15107.119	9463.14875	31589.4216	11387.1125	NA	11809.278	42234.8884	25612.1125	8539.2675	16480.119	38523.936	19226.119	30221.1205	NA	13052.3705	NA	75641.60267	31288.9	NA	NA	20852.78	14425.8705	36388.619	25573.91	14012.26933	15654.6125	33694.8216	42582.6205	NA	NA	NA	8823.214	9509.097333	8931.8705	NA	21532.278	8409.602667	17166.619	NA	20315.26933	13047.619	10373.78625
C85	Nicotine-N-glucuronide	338.1478	C16H22N2O6	Alkaloids	Pyridine alkaloids	152306-59-7	2	NA	NA	12365.6205	25211.60133	19614.936	8342.78	NA	17172.8705	NA	13340.7204	13726.944	NA	9501.714	8245.1205	8242.119	NA	10992.1205	10420.278	NA	NA	10180.214	35795.1204	39611.23367	7642.278	NA	NA	54944.1205	14152.726	NA	42035.604	NA	29173.48875	9435.5025	12611.60267	5498.1205	NA	13739.1205	30127.104	6113.716	2211.6645	13311.936	11459.7884	1377.119	2751.1205	NA	3560.5175	NA	45999.619	28837.119	NA	30820.26933	NA	20886.89963	2234.976	NA	NA	NA	NA	12365.6205	8539.2675	NA	7120.86375	15976.278	7642.278	NA	39303.6204	7008.936	NA	13340.7204	NA	NA	8336.778	NA	NA	9905.990667	NA	14042.4204	NA	NA	4436.9325	21010.60133	NA	NA	31972.78	46703.1205	20599.119	25463.65733	NA	NA	NA	25211.60133	21547.78	14420.619	2917.275	12361.119	52530.60267	16113.26933	20892.528	8245.1205	7558.3705	2212.416	17513.936	10305.3705	13903.97143	15292.78	15211.66125	NA	13902.78	NA	54773.3625	NA	NA	26787.3705	NA	19918.61125	13311.936	18910.10133	15976.278	26100.6205	NA	NA	47628.26933	NA	21715.936	48076.6205	8409.602667	NA	NA	7558.3705	NA	9725.778	NA	20633.3625	NA	NA	46016.3705	11560.444	NA	NA	44104.6125	21344.6125	8336.778	NA	10451.58938	NA	6257.78	NA	9907.898	NA	NA	NA	8342.78	6184.8705	NA	NA	22226.778	9037.78	NA	NA	15412.936	NA	26327.98875	NA	8931.8705	NA	6947.778	NA	6253.278	NA	11809.278	6257.78	18214.26933	NA	15107.119	9463.14875	31589.4216	11387.1125	NA	11809.278	42234.8884	25612.1125	8539.2675	16480.119	38523.936	19226.119	30221.1205	NA	13052.3705	NA	75641.60267	31288.9	NA	NA	20852.78	14425.8705	36388.619	25573.91	14012.26933	15654.6125	33694.8216	42582.6205	NA	NA	NA	8823.214	9509.097333	8931.8705	NA	21532.278	8409.602667	17166.619	NA	20315.26933	13047.619	10373.78625
C86	Nicotinic Acid Methyl Ester(Methyl Nicotinate)	137.0477	C7H7NO2	Alkaloids	Pyridine alkaloids	93-60-7	3	85036.0485	87135.5485	67174.297	57721.728	34713.41333	36870.0695	91894.94933	32657.0695	32552.7475	11532.192	8432.3195	247520.0695	41988.396	94798.8195	24150.5485	136961.321	25216.40267	47573.456	92692.3195	40971.40267	45375.55	92555.08	46338.318	203138.815	53887.839	100806.3	117998.321	48377.412	127026.0485	49344.5485	97679.5515	145805.452	53722.0695	35763.618	51466.568	31429.19	33641.4108	190571.256	89201.728	30550.5695	134374.2985	35697.74625	102345.55	79000.0695	72439.0485	37003.456	29609.124	72952.95733	43345.456	85652.45867	42068.412	47289.6072	22205.456	62968.39467	48293.064	48270.06	37711.7664	17826.5395	85339.821	75202.1316	106551.534	54864.04875	80431.3328	42136.3195	83970.495	1220383.061	87129.37125	30443.896	266496.7267	82918.896	31506.3	87282.912	37131.81867	55321.3825	21066.318	548619.318	68240.0485	31723.45733	53206.384	33710.3195	34054.384	61732.8855	116681.8187	65201.412	81904.7988	47256.3	72559.809	62455.734	123906.3	768606.3	31558.41333	57721.728	39703.534	275781.8187	137754.912	60869.728	55828.5695	83955.06133	42068.412	321334.384	470946.7304	284294.6385	55347.3855	28444.0695	119898.4133	27295.396	58771.06133	42006.3	123065.1533	127239.912	46685.15333	110116.1113	274933.728	58644.564	119051.821	110205.896	79000.0695	28362.6	118620.7307	105510.55	529753.8825	400358.784	24231.0695	50376.39467	112320.3713	42758.05125	38967.318	215256.3	31603.8195	200743.452	83345.67375	79175.166	96598.99875	30661.456	12658.218	35808.318	325339.48	1265256.3	29406.3	126188.412	187988.2347	73508.4	45370.17375	43260.42375	36931.17375	105974.2267	409720.5695	1609273.048	189910.55	63201.3195	43039.995	68215.06133	97596.39467	70825.342	96746.412	176549.9352	65087.24625	117776.412	98849.412	75970.55	99011.8195	254584.784	77682.74625	95874.821	211393.4133	151112.3947	123876.7985	53276.9328	68240.0485	206903.488	100065.0695	319216.821	57603.0652	268742.2985	1281755.247	435550.896	191106.3	216456.8084	105006.3	253947.0613	103388.2987	117601.3988	110170.8933	162721.7475	73488.7985	72423.896	31506.3	79922.412	71521.74667	420608.412	645731.7467	350541.396	545736.912	66475.55	81856.39467	353772.0485	111467.412	80831.62125	164571.0487	79583.488	52547.6084	66126.896	128502.8195	105991.0613	81967.2084	66854.1328	98778.4084	78815.1084	332335.08	39889.396	79018.821	54695.08	540415.0613	33661.74667	224656.9975
C87	Trigonelline	137.0477	C7H7NO2	Alkaloids	Pyridine alkaloids	535-83-1	1	5964139.555	3194561.881	729389.5429	NA	NA	446694.294	922660.8554	1444646.386	908319.1679	1029199.105	300596.124	835851.2918	2193133.376	213088.7929	331267.294	3566329.674	278650.7929	120892.2304	NA	2018775.543	1027150.293	94940.60538	312854.9201	104393.7758	13097.91	139187.5258	450963.04	3097469.282	912416.7929	794341.294	NA	NA	273895.294	168030.294	898922.5451	1897895.605	NA	33733.8855	NA	36890.58713	177641.0474	664449.6667	123182.4008	209900.4677	14149.898	308700.0429	12984.8508	NA	11210.936	173363.2189	NA	774377.5944	1191738.23	332633.294	6060840.916	382457.2929	954075.9804	688413.2929	974653.294	967140.294	62159.60538	401153.4257	13311.936	20439.55375	376977.5967	10116.11067	1418733.108	1827553.043	1652721.043	NA	120632.3733	2483173.043	1468876.417	1273807.294	5776.329	2074731.821	51502.64963	2238886.294	211059.294	1609176.373	894373.7067	448019.2929	1448574.123	14925.86343	1297712.294	282748.4179	348153.7333	420740.294	78833.43	11776.4145	471965.294	205314.0894	1141200.855	341481.0429	4223324.176	NA	48719.39963	63636.7228	NA	1903359.105	753975.2929	89471.301	1195152.918	537484.1054	19925.61375	NA	1430083.418	2065898.23	2121899.105	NA	368115.6054	4091565.978	485580.8554	555291.294	7269765.881	520458.294	340115.1679	1353594.418	9810.269333	1481303.73	467824.4804	11040.6645	2068629.98	2158788.468	15870.652	2446294.418	1243641.48	172112.5429	1211765.17	1717600.105	NA	925392.6054	539532.9179	1968418.294	1581695.543	2096465.147	2768594.478	NA	2997673.57	483532.0429	2989267.975	547045.2304	859226.294	201518.0411	2376292.805	592802.0429	1102956.355	NA	5218787.103	NA	144098.9168	476659.0418	5314843.629	2543693.598	2075459.355	1477889.043	278944.3733	27118.9	612607.2304	4774776.504	1731258.855	NA	56190.8228	281023.1522	669291.0429	599686.294	818854.3554	4031422.405	64038.77687	23888.654	771802.294	1096227.294	1499197.294	357188.6054	1141988.294	NA	825683.7304	768387.294	3971417.573	NA	37589.77575	601162.2963	NA	73769.54288	625773.7633	723243.1054	3708123.89	564118.6679	4261837.068	1387128.373	345578.6679	1254453.667	3593916.252	77847.67667	18300.63	1261027.04	NA	724352.3167	9572.416	7114.266	2257327.294	715047.8554	2878593.855	370913.9007	1098513.983	2348419.417	10029.7896	515384.3733	453027.1508	447336.3554	151017.4008	237305.9008	38048.92875	54647.29287	NA
C88	Echinopsine	159.0684	C10H9NO	Alkaloids	Quinoline alkaloids	83-54-5	1	14367175.58	10344925.93	12108337.38	6897087.789	1863840.234	8485734.578	3936896.123	15451412.81	4289524.143	16282976.32	15234563.37	6540068.339	7890638.301	4061812.554	4468490.369	25581700.21	8420183.589	13135799.58	754645.8397	11520660.62	1894985.461	7960676.08	5547052.241	19607702.21	6635476.629	7414967.014	4944475.094	8976011.304	6524556.948	4603240.197	5674420.374	1554419.02	8878282.313	13537613.81	4641479.797	9579590.112	7057666.517	6765123.789	11308647.8	5330401.968	16691511.06	7138105.955	6516044.262	5769144.687	7685521.391	8293960.33	15293258.65	8919672.369	3795166.205	7349858.586	7122519.16	12457446.24	9137384.612	12523118.12	3139466.289	7954335.207	10463882.75	7942960.569	11072980.75	9148696.526	16874713.91	7468219.008	8966649.89	7298917.09	26538344.47	6088619.988	5204581.663	8626196.124	9441590.886	10968058.03	8121210.164	8739336.287	8200500.399	5799217.364	4557139.224	5786482.397	20713703.6	8073557.353	12260797.04	12952138.59	14944642.71	10791727.06	3789528.578	3057678.765	5135899.146	19101694.14	16529375.72	27076067.97	6686129.216	5762267.345	20347872.51	16455563.82	16449461.07	43981252.38	25965422.85	4390575.115	10301012.15	7416865.638	10421933.92	11957622.48	33015091.83	19939397.15	11382941.92	9329750.211	2277185.371	11153160.73	12124993.66	13713142.46	10621745.66	9559870.047	25190343.81	8623435.881	3774532.67	5800065.372	19896069.9	14289811.98	12976148.02	20422405.64	4506162.832	9802445.768	18167984.61	6597702.477	9376418.142	10181347.6	5184217.595	9995760.684	6400888.369	8737956.769	9637488.315	10802917.98	8882253.879	15841574.27	13205432.86	11740116.75	3351525.996	6688010.763	6710419.17	18726168.01	11294858.26	4016499.874	2938802.975	2372425.576	7981721.716	12059902.28	16029116.88	5534770.059	18286574.84	5290868.479	4958253.852	24418283.53	20081591.18	9245145.311	4714459.08	8059039.36	4608916.447	3962077.786	7601292.543	3608957.477	9009105.651	8236848.267	6279325.295	3590061.368	30111468.81	11085677.81	23044451.05	6282967.519	15918607.83	7989015.574	8797163.713	21664604.5	12872487.54	3734227.563	7766337.461	17077100.44	9323067.57	3034177.036	9209498.646	31849046.8	14370806.71	4863432.907	14763463.06	10981227.35	11531433.08	4107667.31	15967106.88	4819612.11	16052109.26	9518229.944	38658914.02	4746126.593	28097764.09	21469652.26	5514645.796	10188513.86	11623645.03	5076199.853	19472721.78	11278814.27	10927699.48	4701091.121	5434585.755	6395616.487	14715995	7857824.661	5036693.162	12095733.35	9190190.049	14060124.85	7328140.817	10035483.27	15589911.23	5494384.35	13655471.35	11459913.32	12478618.6
C89	Demissidine	399.3501	C27H45NO	Alkaloids	Steroid alkaloids	474-08-8	1	4525603.661	3405917.823	4197024.724	5496427.895	2417691.888	2782323.747	2652705.62	5186235.627	3479347.564	4491513.204	1957012.817	1735169.02	5628864.805	1413703.564	1624782.887	6629477.042	1253128.528	2611756.037	627741.024	5164198.344	1669933.287	7803852.293	2350333.645	8795599.12	3567370.121	4164940.738	3025594.152	3213358.396	2740402.169	3642588.262	2233177.997	1205045.809	11114201.28	2701008.702	4070482.934	4400461.89	7366924.849	6361490.691	3839081.202	1100040.348	2485082.87	3012115.788	2376307.287	2015436.239	1996415.387	5786954.255	1989248.877	6522900.164	3125083.158	2932465.421	9717401.121	2682631.287	6236614.917	2592943.253	2024040.995	5268901.997	3572232.202	6544684.671	6363770.246	2426964.703	9089289.959	3368903.346	4139397.837	5358049.345	3470178.705	5474624.554	5116715.112	1370764.247	2710752.619	7927588.051	2263378.692	2076906.9	5938900.358	1821264.243	6244077.814	3083589.976	2833107.156	2772245.767	3561582.73	4635171.956	6708364.192	3972036.922	5308869.283	3814091.682	8106280.949	4234070.474	12364654.36	7474903.999	5182295.91	6419490.866	7558997.784	6270509.906	3430130.364	9588513.138	7790872.714	5837726.302	6231213.105	6786835.51	2486455.496	4195865.859	4926931.376	4423372.598	5784683.595	3632893.241	2234819.663	4610647.209	6031793.78	5611772.289	2906148.881	7713271.269	5807070.129	3180361.818	3030443.043	1369378.308	4977749.764	2824091.374	1902325.723	5947108.593	6799052.03	5095483.137	4162291.675	15815096.4	3262293.1	3524687.148	6694691.603	5678053.148	1896818.787	2187068.747	3344414.234	3058031.687	4392648.276	7610047.789	4837102.225	3626461.012	1140616.136	5106866.798	6079017.936	5606617.373	4196892.087	8034011.159	1349007.575	3103543.794	5585254.808	5390438.467	3356818.541	2498743.37	2117417.787	3318503.583	4023859.594	8186165.221	4270555.579	4947141.87	1575173.955	6419217.087	2633402.996	7260990.191	3767630.967	3068601.558	4141672.136	3959564.43	3066758.154	3508676.618	2174276.097	1644992.342	5464258.844	4373825.956	5696561.373	1286943.183	6150747.641	5851702.37	4235512.23	8707436.101	2413966.243	3446855.48	2481667.745	1704108.327	4496670.595	10451770.96	2469936.481	3711486.385	4304426.192	5203985.603	1937524.495	3563222.329	4060213.923	7016618.947	3604217.888	5812931.962	9590466.167	5442015.229	8446281.842	4303845.33	4408850.868	4249123.414	3728511.969	4123212.41	4997133.658	6158802.383	4374742.426	3899805.073	5774396.479	1961430.37	3955480.701	7078986.824	3198348.315	9638483.345	2693744.086	5982615.4	2951584.223	7055390.929	3946191.952	3202291.198	4540998.077	9079962.731	2806318.073
C90	Khasianine*	721.4401	C39H63NO11	Alkaloids	Steroid alkaloids	32449-98-2	1	2072202.48	1417040.454	2608111.814	2925473.34	1168467.745	1540226.366	1181464.621	2767342.899	2396274.343	2777995.556	1594686.433	1606930.745	2708006.928	883674.2229	775328.7465	3699880.608	1003028.747	1655255.288	334872.6609	2766703.454	765601.224	3439777.411	1941880.89	4107406.257	1887643.259	2514582.456	2092543.677	1857647.62	1189042.933	2218133.933	956588.0427	564311.056	8511787.926	1627839.252	2133209.312	2410963.142	2978247.123	3396193.349	2268551.402	1534047.933	1549804.395	1609279.996	1693807.058	1139173.224	882461.136	2752867.666	1741370.787	3675104.375	1765373.787	1468931.224	5704017.031	1153308.12	3209791.269	1410652.204	979260.3296	2732274.545	1817416.769	4265014.299	2942381.107	1241665.465	4786141.542	1335223.62	2202606.288	2563229.437	1691735.204	3161614.82	2067182.319	750420.2046	1312505.453	5258811.255	868589.2237	1178181.708	3459031.767	967771.4143	3559863.581	1664371.082	1306257.767	1203220.981	2020021.687	2759761.426	3579009.145	1822375.424	2533921.305	2284572.456	3922838.914	1910186.009	7201724.827	3486392.315	3336539.061	2395612.8	4022472.811	2966652.871	1564432.4	4213234.075	3274883.654	3322404.631	2737753.586	4560746.515	1181207.15	1641356.219	2167252.252	2239859.258	3088229.178	1780572.508	1221335.999	3029979.288	4007382.925	2176572.645	1629461.571	3806253.191	4095701.447	1676251.879	1330835.963	3642549.451	2205389.246	1471789.33	1050883.848	3073457.263	4018796.407	2986807.154	2293496.087	10392993.14	1050884.368	2023590.124	3366740.952	3197706.967	981887.7451	1021474.896	1706613.207	1599242.163	2335757.704	5300536.642	2919418.635	1898082.371	1757360.87	2539722.01	2413609.781	3276901.719	2121129.647	4351276.16	503099.5055	1750971.703	3752558.902	3076246.063	2238627.371	1314247.704	1149809.745	1668325.666	1805755.058	4345930.506	1978691.166	2276291.748	843146.5371	3656811.1	1228608.751	3728681.712	1746546.893	1503191.15	2262949.987	2225560.058	1319009.974	1066266.681	4282706.064	1790595.433	3240864.443	2360035.044	2704606.988	686342.3246	3753847.898	3833080.064	2017406.745	5168925.822	1115161.74	1537165.965	1406045.465	619156.5796	2044831.204	5487826.68	1384518.454	2141524.48	2348586.245	2493595.177	1035487.704	1804426.656	2403330.72	3844474.361	1575293.208	2770008.237	4973078.875	3213113.499	4261746.189	2100835.282	1918451.448	1815633.846	1984493.147	1785346.273	2321310.911	2624151.156	2157463.327	1757793.963	3201947.187	1069653.536	1782432.558	3563178.903	1538294.246	5794174.27	1095584.933	2886939.419	1560221.436	3999042.96	2179767.991	1775791.705	2155800.333	5842152.687	1448441.083
C91	Leptine I	909.5086	C47H75NO16	Alkaloids	Steroid alkaloids	101030-83-5	1	29849.67417	NA	83047.10514	NA	NA	29960.53943	NA	42259.714	NA	34585.7706	14523.08333	71841.888	38499.85417	33587.47786	NA	84474.58817	21552.52171	18808.3668	NA	46291.83829	NA	NA	NA	128622.1947	11389.236	16479.1215	32100.49967	53302.17286	53889.8875	NA	NA	NA	86014.63	29205.56029	42608.68967	28119.63817	42053.326	NA	38716.06014	33919.81229	NA	29200.91067	NA	48623.99775	31368.38029	NA	62391.75771	NA	NA	64774.48971	NA	NA	NA	NA	NA	75057.34429	NA	59782.77083	27890.254	NA	45693.8928	23372.83657	38792.58367	NA	NA	NA	NA	NA	18781.02567	86394.12157	11663.22633	27387.73333	NA	39775.50657	33489.42857	55412.652	56015.98014	32070.96286	NA	29262.34633	37453.584	33599.776	19564.97333	NA	NA	NA	80650.89667	51459.90267	NA	103804.2007	32178.744	42421.99033	32165.34533	137711.835	53105.92233	NA	33512.352	56889.25714	NA	NA	85088.01571	64166.88371	55010.66	NA	NA	NA	86730.3944	86845.832	35072.74286	NA	86089.744	30610.385	NA	23355.29667	71727.922	NA	NA	75025.63857	NA	68386.83	97322.028	NA	35302.476	34307.22286	NA	75414.79171	NA	23798.51029	25795.83067	NA	36854.37933	45744.518	81317.11314	55059.87629	39870.18286	NA	NA	119884.3936	55744.35286	NA	NA	NA	63207.60929	34994.9376	39448.97017	26612.97386	43817.26057	19144.34267	40752.39743	89192.27129	NA	30015.40671	29027.28571	82210.472	NA	47978.25113	NA	NA	34189.5528	64088.44529	25606.37917	NA	77424.63114	NA	57482.17529	37232.595	96101.4035	NA	NA	81422.01143	32158.14029	NA	23429.095	NA	NA	NA	58178.47014	167139.5843	NA	NA	31492.79314	69219.01117	NA	NA	NA	NA	30040.76367	35954.02057	128134.416	NA	127391.9493	40679.12371	97000.74042	35075.991	NA	NA	30602.1204	69734.90086	60073.8105	NA	NA	NA	19582.83033	56736.39686	NA	51934.2192	NA	67416.88171	NA	44844.21667	16734.81	NA	126510.3457	40795.008	NA
C92	Leptinidine	413.3294	C27H43NO2	Alkaloids	Steroid alkaloids	24884-17-1	2	NA	NA	686851.6057	NA	72650.985	NA	42932.9725	NA	486903.4864	NA	180002.6531	207171.2246	454405.3886	NA	NA	NA	90985.972	93627.3408	NA	329905.7989	NA	895163.4701	NA	NA	203825.7585	350395.3886	176060.4862	141965.6345	46970.85867	235437.93	NA	NA	5812140.618	112636.925	147991.0973	221923.7486	535280.0965	430027.3992	967651.9957	105838.5408	303495.672	173823.37	264157.2233	229778.8845	NA	796480.2233	NA	402360.0462	134268.4914	NA	479439.6853	92630.85517	295613.424	92971.26125	NA	469509.7	197078.8267	781839.065	185780.098	44909.69333	1019771.394	101089.7408	309703.3903	262170.345	221552.4958	193497.596	110066.8787	NA	98877.35812	1137646.421	33602.688	47465.424	206894.7132	NA	191562.3463	188153.2246	NA	NA	176136.1493	75233.688	433266.4617	144777.15	278638.6808	273566.9733	669206.2289	439361.6792	2014490.816	615972.7474	136450.9307	245816.8094	1192836.583	419524.7458	150815.7612	NA	168978.31	295302.3554	404822.5817	680869.1716	32776.0965	NA	135321.975	88553.8368	298677.4533	203266.2188	92039.1545	249800.46	397135.3711	1274854.962	58092.915	113165.52	371478.7922	NA	186801.6727	793436.9812	34177.734	NA	NA	315182.148	NA	335985.485	135271.045	1843670.389	NA	104300.5635	376946.3886	NA	NA	NA	244633.1794	252166.2585	324788.1222	751538.5366	324575.6728	86229.04767	151806.07	52632.234	122899.0965	616545.4831	34152.732	1099608.598	NA	243013.37	974633.1356	564957.0629	84073.234	171567.0478	NA	152119.2457	170141.5893	3199446.583	52508.86	83691.97375	119293.096	256175.577	211268.7257	629179.0023	105366.5113	208159.985	189709.6853	247313.586	21860.098	NA	304089.3135	78951.61125	253885.3363	317080.5141	NA	65444.0275	562613.5113	375197.8608	65706.84375	353798.098	396798.9835	85777.61333	NA	NA	172396.1208	773730.1481	NA	264514.1455	183013.985	285130.7529	NA	282181.12	106055.1362	591963.6844	NA	797716.0856	502658.5667	NA	454368.5983	97918.7328	183398.7246	264157.2233	767022.096	106074.3875	115957.6885	232971.975	243195.1543	262794.7868	NA	77835.6375	95662.5408	1039352.533	101690.3845	549970.3189	96251.9088	186084.1545	56585.485	308897.8171	282177.1211	NA	NA	1296505.334	48106.565
C93	Leptinine II	883.4929	C45H73NO16	Alkaloids	Steroid alkaloids	100994-57-8	2	663905.0984	NA	936392.9265	1291415.433	352938.0405	98200.008	688792.9406	NA	467060.238	591221.232	NA	NA	235474.008	100722.534	155825.5037	NA	99075.946	116236.008	NA	242065.928	334839.5093	499875.936	121246.008	375350.9265	124932.966	573658.656	193640.958	583864.0108	499000.008	NA	NA	NA	1508561.225	163593.444	756068.2343	323714.1675	419681.225	559683.145	1258076.183	369652.5612	NA	159487.986	267864.48	127505.446	NA	NA	399933.8415	NA	NA	245239.5713	577600.235	NA	2068299.29	350466.6675	130082.238	172787.958	616443.1188	542855.7365	334982.9787	769631.8815	1066316.145	123987.936	NA	804335.9084	376327.4175	262857.0093	585787.026	NA	187505.0792	719453.1587	540410.4637	NA	NA	262721.8913	4058030.591	332570.728	NA	331811.6994	624229.0704	221335.506	1452706.648	744427.9812	950882.3335	831888.0036	165383.769	178288.94	NA	857992.1692	389261.958	120189.2095	1313888.074	497497.145	NA	984553.6342	1940444.576	1264181.633	547730.82	506482.8253	372852.5475	NA	83459.961	686336.4807	598472.2308	254097.7493	595686.2905	1276667.054	802329.104	1581852.962	NA	2120252.79	NA	NA	NA	2306222.647	NA	44306.438	94238.39067	1329778.93	206748.938	234161.928	NA	3468479.674	295582.5393	446624.3548	337711.446	263849.938	NA	227371.7187	848947.735	512847.6308	202494.6765	324888.938	331751.4595	683469.7905	1256759.509	1423532.271	194934.938	144027.2095	819301.8057	1529396.82	NA	162984.6765	1594710.224	1318356.225	801963.8636	123188.506	250714.425	592157.2984	187378.008	3417876.018	896849.1315	1027485.546	63221.9265	979171.8332	169808.958	675955.4175	171986.238	350703.4738	NA	NA	927848.8686	NA	884011.2525	246720.4048	58089.438	711050.8828	935771.6825	153496.6984	NA	595683.504	325650.446	824847.5812	NA	60088.94	682067.2792	NA	394732.8713	280443.936	409234.1825	435311.145	429814.3156	520538.4344	103921.9895	250616.3963	NA	405499.9573	560868.9486	932919.075	NA	NA	852968.7108	447323.1828	516350.1108	388143.8212	328410.992	NA	387139.8036	213305.925	302766.225	379802.7995	360012.6775	443600.664	830716.288	2122175.184	556834.176	1218209.455	90460.946	752512.5417	465743.0982	815960.1675	NA	193640.958	NA	505051.6535	62823.49
C94	Solanidine	397.3339	C27H43NO	Alkaloids	Steroid alkaloids	80-78-4	1	16141566.68	13766145.75	15255290.52	17719698.41	7622460.117	8782546.824	10753271.89	16355801.19	12645366.62	16254350.05	7974763.578	10936229.72	19803017.48	3918124.392	5039444.745	24144206.48	7043742.387	3317574.9	2601741.024	16918010.15	3184865.873	27195874.11	14136862.03	28774609.13	11937079.78	14825567.62	11773054.57	11095889.28	9865517.477	15092292.29	8852163.78	3727712.39	41186259.8	11160317.72	15633348.27	15689492.03	24847719.31	21835211.49	14744433.43	8886339.225	8781358.724	10581815.57	8392549.509	7105181.695	6863540.721	18565807.58	7106103.367	23569898.29	12117011.58	11745239	35695655.06	10435900.9	22249515.74	9643818.35	7702508.215	17778262.8	12432814.26	24295858.61	19808353.09	8916269.849	31072824.69	11191547.68	14043995.01	20001916.89	11654169.26	17084993.65	17232142.33	4921385.981	9351183.071	30325922.7	8829490.855	9860113.503	21939386.22	6037597.528	19328033.74	11557575.87	9690411.06	8860870.721	12271091.02	17162010.89	22977795.16	14317208.23	17875445.22	13684626.14	26049267.96	15486353.06	45186184.6	26320813.44	4078697.842	21355039.25	29055684.83	18966653.85	13099324.99	31017397.21	28357683.28	21055134.09	20194349	24355878.61	7936120.101	13282698.08	18425449.77	14288347.17	18925519.66	11802448.83	8023012.524	16119048.58	20825127.03	18978257.53	11846331.04	29454105.92	23156975.6	12001515.36	10440730.8	20765232.62	18255543.33	9170635.529	5583958.281	17816821.89	24930748.48	17495792.24	15850420.38	55416732.1	11679616.4	12621687.3	23581059.43	5455556.48	6837115.104	7143300.797	12728218.45	12024596.9	16712691.13	26858063.39	18134415.87	13058202.69	12039222.43	17245681.52	17991229.81	19768655.66	17276928.04	29190864.8	4139064.658	12132570.8	19739708.05	18520875.36	12775579.5	8816457.102	8288198.181	12454871.23	14393830.07	27899944.37	14039505.59	18101101.56	5124421.566	23824198.65	8746153.091	22656082.54	11924275.86	12347978.68	16444319.76	13994587.99	10878448.95	12627268.58	25540026.05	11891674.85	19430190.26	14288142	18667575.12	4270798.229	21954296.35	22708909.5	16033770.83	29255394.8	6823768.49	12224762.82	8943667.312	4971987.752	14011967.53	35565008.87	8243191.703	12244613.66	14369858.68	16972136.66	6757171.398	11720181.96	14062351.14	22884848.71	13312011.9	18108224.3	33326627.45	17516916.5	4127756.496	14345844.46	13561844.17	15231373.11	13317598.84	13541226.41	18139897.66	19683845.39	16056827.58	12840779.3	18623296.43	6006692.604	12705798.31	21149942.54	10151476.18	31629154.41	7898552.945	17847409.32	8291545.607	23745848.32	11010048.43	10428665.2	15023884.03	27191783.87	9818773.934
C95	Solasodiene	395.3188	C27H41NO	Alkaloids	Steroid alkaloids	3669-17-8	2	21246.70762	52976.8904	NA	84427.61909	22880.4395	NA	31310.10145	NA	NA	NA	NA	NA	43200.1452	27488.5695	NA	NA	36759.2589	NA	NA	NA	10742.47364	106019.46	NA	NA	NA	NA	50590.84636	32096.28345	NA	NA	NA	33160.636	NA	34395.93045	29474.33775	17990.50727	NA	NA	18289.20571	NA	41420.2418	47491.797	92571.78	NA	NA	59911.32	NA	NA	NA	NA	128120.097	NA	39951.67291	386899.7133	39980.26	40273.90591	36027.34933	19224.28	39154.362	14148.9975	NA	52118.30133	87167.3325	80528.917	NA	213109.5633	NA	NA	17595.5505	886210.7849	34424.24727	NA	30246.71675	NA	NA	NA	38556.8235	NA	34705.928	27991.55208	NA	39686.06417	44645.72825	52339.36967	101442.684	30855	38470.1265	38684.356	13402.46775	39319.41333	NA	77860.44475	NA	124523.5746	291289.2477	NA	22157.77375	55373	44850.92017	33846.49164	124449.18	NA	84538.944	NA	NA	73149.46418	94955.33545	29547.4312	82983.58583	NA	104251.3333	44030.73164	NA	30762.27273	NA	12136.3165	NA	65200.14	217431.0005	80710.3205	28656.83509	231397.3535	31075.6685	80400.01108	NA	31594.395	45704.69836	36352.64914	22580.62491	26540.49682	NA	NA	NA	63683.30383	24350.93509	NA	31486.7455	88351.08883	NA	52115.95745	NA	16352.427	NA	31516.80575	45154.88409	NA	61633.62891	93420.64964	20392.26617	34861.78982	241157.0133	78956.72667	NA	70672.98462	36118.85364	NA	NA	69086.73767	NA	NA	NA	37708.87333	NA	37246.1695	106873.0828	61186.5925	NA	NA	21769.3775	176409.9247	NA	42054.03691	NA	33423.53345	33136.74	NA	NA	190596.4665	27617.30217	77743.89	28322.69817	15527.5525	NA	42835.203	NA	NA	56015.0775	NA	38769.8135	65229.57583	NA	NA	NA	14226.90533	NA	100501.3805	88347.45231	NA	NA	144411.1032	95524.588	NA	82621.975	52459.28	320263.6168	NA	137266.7271	124828.6373	39671.193	NA	NA	40108.89075	249766.3233	134765.288	44598.09745
C96	¦Á-Chaconine	851.5026	C45H73NO14	Alkaloids	Steroid alkaloids	20562-03-2	1	35417978.91	39761639.76	37111689.96	41672926.89	32308774.93	30055376.64	35970942.99	47335837.88	32575167.91	49326251.41	29120078.4	33711071.22	39298259.98	24630581.62	19048600.59	59875720.66	20212186.05	27818397.35	12040406.94	36019457.21	21560798.11	53160208.79	38680595.52	74743473.04	28682705.55	36036783.06	21511591.36	30033656.8	28811120.39	34652547.31	40208255.03	18382294.74	60613075.3	28320244.61	40483843.78	33255225.51	52484813.12	49828674.48	30590627.72	23411455.3	28941481.57	29373828.46	26158827.62	20511928.47	26306131.8	51254672	28853086.3	61861153.73	40594522.64	32854493.31	62872166.43	28497509.6	31897813.92	20740272.9	21367011.11	44655091.3	29850868.34	37351877.38	43336335.84	24548495.63	52973910.3	34578174.4	32946837.97	36570586.08	26265836.23	35410658.29	30866724.65	16754578.25	27140683.03	51085848.21	29724344.95	36549445.79	65804445.85	25798004.38	62006407.25	30865700.01	36754431.67	30433302.16	28456067.18	37171009.43	45558902.72	39782344.08	41624331.78	34871060	53070041.87	38295616.86	61473106.93	47417962.88	32402862.97	44741216.49	50700602.92	39293807.08	38383662.21	53827664.35	68776734.12	48675363.45	42303428.2	44436554.4	19224729.44	40589203	42530689.54	44354717.46	44430694.08	38635913.12	29459882.94	43764770.64	47789978.42	51012134.67	32477444.21	73941845.52	41265802.33	41420051.02	34744295.72	61830774.32	55274663.36	35695913.01	23123123.26	39971375.64	54559056.62	47225972.25	26248450.04	84568142.04	32997483.26	36139735.67	60982687.01	50774098.7	26319031.56	33461277.11	30589030.08	29649933.56	48505879.52	56480030.88	40307944.75	35119987.3	39974311.11	41013079.88	47406368.35	39623993.9	33346077.15	51823796.68	22961148.1	27520705.83	51233817.26	40586016.8	29530449.16	26098245.33	35343933.35	47137906.26	38860808.94	49799662.73	32931033.91	45667984.06	16958511.42	45853066.69	21809970.48	52692543.5	30798549.56	30646017.4	36278043.3	35296309.44	34221376	48167312.05	66690362.74	31739856.96	37813270.39	45574132.68	53861549.93	16096420.11	45165670.68	45747752.98	42376817.28	62687294.01	23095607.84	35151598.28	26289598.34	26804386.46	39950025.17	104563892.7	32028763.95	39198126.94	35077256.4	55907881.92	19272297.33	35292146.28	39198984.94	42661864.98	41855878.2	45266975.38	59184803.86	42898224.79	78435213.79	39219949.26	37846042.38	45627532.38	33002906.69	45918628.5	49611529.46	57606812.03	46694470.43	41159252.48	47772602.46	19121406.54	38314745.28	48521955.35	34411542.78	66131282.68	34835655.68	49626632.97	24830289.57	48978330.77	24631610.08	30293429.6	44841924.47	56970240.06	34753992.94
C97	¦Á-Solanine	867.4981	C45H73NO15	Alkaloids	Steroid alkaloids	20562-02-1	1	2195552.991	1638541.116	1832680.533	2550650.898	1107974.542	1156880.524	2121497.869	2545803.158	2655339.644	2463696.712	1213936.572	1344760.344	3266768.966	880273.7132	714576.4901	3753638.404	1181191.079	1402692.957	310999.9124	2431472.516	765706.4808	4206614.585	1671125.488	4648419.067	2608259.044	2308295.452	1842357.815	1626758.839	1154077.512	2110890.86	1558085.683	631313.235	6204536.173	1122420.78	2319207.159	1898272.172	3201308.512	3172523.199	1979428.264	1479259.266	1895581.277	1883222.354	1557695.964	1387695.834	1022208.868	3037568.347	1561400.969	3073840.893	1554244.199	1649708.19	4552541.265	1092018.411	2886649.915	1432863.188	727203.576	2201474.385	1784134.355	3197436.161	2409566.054	1108006.185	827509.797	1522556.341	2002978.167	2523164.942	1528998.663	2668036.205	1508720.472	546858.7368	1228455.722	3620259.304	1427173.808	1343840.743	4464175.694	985797.2545	4047454.816	2167443.306	1675345.328	1101192.82	2477368.747	1928805.93	3133338.766	2043458.724	2783687.911	2114535.475	4605538.345	1571053.293	6574776.318	2883655.938	2729910.368	3311986.099	3590132.95	2296084.741	1537901.607	4563321.3	3812970.275	2492876.461	2764091.487	3462572.776	1201137.778	1768109.048	2695762.625	2170339.439	2979070.835	2190702.875	1094895.816	2690864.02	3403638.786	2851893.705	1751016.13	3302621.078	3618981.73	1555101.426	1680154.641	4145989.508	3673458.825	1830238.457	1264954.355	2836080.059	4065931.742	1856521.286	1951010.786	1248940.963	1624242.53	2444445.767	2964620.613	4144025.629	969220.2195	896754.6	2467063.149	2185581.714	3387215.364	6353529.677	4059361.515	1987515.276	1413058.142	2535029.439	3154618.25	3092458.591	2182537.205	4860028.392	651274.1746	2061234.782	3891880.187	4199783.134	2689857.448	1832834.254	1569485.708	2082577.246	2399476.596	5685350.26	2273580.109	2376247.486	780248.8939	3893674.596	1032382.671	3945207	1566587.582	1541106.593	3266861.136	2408286.912	2625671.097	2276904.618	3698698.248	1664602.549	3306087.334	2825180.632	3295177.403	624500.1	4261707.7	4062991.642	2227448.194	5827389.894	1003928.39	1918967.565	1480618.833	580626.9935	2703150.771	5978768.265	1479713.811	2924511.354	2275819.396	2600627.332	1111483.918	1808949.053	1609300.882	4008156.91	1634775.351	3373329.411	1559294.887	2757265.38	3643381.798	1755756.943	2228430.127	2216099.431	2158527.29	1868801.133	2262567.683	3296772.907	2047257.316	1732317.56	3232510.281	1168553.106	1645093.943	4069271.884	1401686.314	4715252.354	1286844.635	2877896.046	1856687.433	3885874.293	1956876.064	1880823.395	2303382.025	4368534.654	1246046.377
C98	¦Á-Solasonine	883.4924	C45H73NO16	Alkaloids	Steroid alkaloids	19121-58-5	2	NA	NA	2331578.608	NA	312725.2333	416510.2333	NA	193433.234	1689509.996	556474.3537	634933.5667	843791.1211	1389012.298	NA	239446.5431	295743.098	331199.4228	381917.6681	NA	1039799.622	198979.5994	1969215.233	NA	1728927.295	818807.6074	886197.062	888024.6233	445672.4119	NA	717223.0594	156391.062	NA	14858283.82	392874.425	729346.87	586956.37	2178571.787	1504957.358	3792421.065	290310.72	1220054.37	558210.87	1193104.177	910069.3483	383220.2556	3548767.574	492676.56	1237305.672	538225.9875	550141.9	1567322.023	269311.9	1161501.573	NA	419666.6473	1268779.858	843307.1892	3288538.081	1220215.615	NA	2362940.557	NA	933050.7956	1003445.424	849212.857	600312.1784	744534.84	NA	273967.0773	3415831.063	414206.2997	214892.5545	NA	185326.6191	1086025.233	561236.4732	257266.9852	NA	654455.6796	554423.4667	1747793.468	496659.5243	980715.6539	822387.3356	1283970.715	1468250.327	5414500.399	1669737.217	489444.264	580157.6706	3010590.148	1347241.754	504681.7342	255011.484	924476.8225	724543.9516	1074582.336	2070583.636	NA	NA	682175.8111	367739.4989	876934.7233	836807.7233	320239.3467	1158207.96	1419618.372	3217005.724	336906.8142	258774.8462	1209915.569	379588.014	745438.2457	1860059.678	NA	NA	265656.2378	1182285.841	1092813.092	1730056.588	696416.5	3610612.875	105773.424	290544.3135	1106854.056	251833.8638	NA	74681.9775	983422.4119	1013188.357	876080.6959	1687874.084	1102203.923	509260.9875	666356.3389	248153.424	807513.0056	1612747.671	92076.062	2430239.582	34102.728	1070104.309	3522737.111	1928804.206	506747.2221	598642.4958	401132.0356	848043.9187	772224.7274	8100836.462	NA	541473.68	411263.2956	1133469.278	545521.0856	1825037.639	595948.6081	945743.5856	838824.0983	558330.8211	NA	141671.4068	1322206.104	255745.2333	880283.3943	1015135.83	687387.092	189867.37	2370965.496	1378240.316	NA	1669725.849	1061479.466	224029.1455	NA	199323.4837	467471.3667	1722025.41	209946.3931	934231.5079	580601.84	739616.6136	50779.062	499239.5533	518981.2257	1622507.234	NA	2421321.84	1030816.337	NA	1207802.412	360792.5295	593029.3564	564075.9618	2153510.084	310527.64	372279.95	804715.8622	740762.7244	1043412.487	398023.7659	269655.6967	NA	2532054.858	316708.7135	1434241.421	358469.84	508070.1956	277066.0836	740126.7331	921793.0656	470738.3433	NA	3648596.43	383597.5564
C99	¦Â1-Solanine	705.4452	C39H63NO10	Alkaloids	Steroid alkaloids	142287-76-1	3	27932638.98	28650623.14	29182474.8	29423324.52	20250252.11	13512784.2	20939406.54	34080339.08	20738102.74	25834653.36	13734213.23	23811124.59	27665217.96	10113900.34	9753851.945	45992273.94	11077442.89	18319583.55	6307906.08	28145025.76	12259810.63	34546891.08	28104632.34	46502242.94	17133637.39	24238871.32	15705286.96	18526220.98	17308592.31	23857668.1	21865683.76	7783938.545	45212005	20556497.3	28507061.53	23169448.76	39066078.01	45108243.16	22486093.54	12475135.76	17211382.39	17250573.63	13468436.47	11804347.27	14926965.11	27731882.22	15491018.52	37941661.38	22385326.61	17084741.35	48145845.65	22496772.54	29218620.24	14650385.8	15719449.26	34634456.06	21734536.35	27622576.21	27319188.4	16316412.26	41886589.81	16589598.7	24445362.99	26247538.57	20071519.61	30057923.93	23440010.7	10965753.76	17115906.23	46712733.13	16540445.45	19259125.42	34433017.18	9913828.468	43868102.8	18302031.39	23760565.64	21126141.01	19015519.38	21900582.09	35616192.56	24486791.26	21472281.8	26723337.02	38343199.59	27272420	47063592.81	44379141.95	26074243.4	32682463.55	45470292.33	32625798.67	26531209.97	30441595.32	43695657.95	31416939.19	31612792.44	36978542.76	11555612.98	24806508.79	30449928.05	25962466.19	26340233.54	20586238.47	14037982.26	27093354.98	24303848.4	31270718.16	12980664.18	68768407.17	27725751.08	23249838.88	19711548.25	35452259.41	27026720.62	15643488.66	9751435.848	27425132.55	44341198.32	31749770.17	22742630.1	30366946.89	21619152.73	27039393.61	32492414.36	33918752.33	12573416.42	16277737.45	18869602.86	19440556.05	25319099.96	30225394.08	25993949.59	16253495.75	26189997.14	20595187.85	35834067.91	30375819.61	20261754.47	27749057	12935561.66	18165690.27	25903311.4	23297483.25	15716323.15	14816802.6	15050796.54	28980042.26	25807615.65	39261120.73	23846963.59	34195672.53	8351867.505	37064650.71	15946008.87	36848454.49	20925751.55	14215241.59	25323868.01	17143996.31	19056403.47	25194304.11	45042212.78	20702979.55	28534460.12	28140256.51	35285685.47	8688087.24	29874501	28983060.61	28812743.41	27095009.54	14043657.15	23632092.48	16175434.79	16503614.53	24523182.75	31610961.4	15095078.8	27732693.94	18276050.7	35672726.7	9979012.688	23646388.05	26923751.17	36954355.73	27663324.7	37136564.32	36539339.21	25747128.65	49630986.99	28114558.08	27117488.78	29384157.17	26702338.66	30366050.13	30932988.76	44355033.09	30568087.08	35868657.85	25694662.93	12246261.72	27164506.71	31100071.41	22154132.12	48336636.28	11544535.06	30208261.72	16928498.04	39033782.15	15401324.07	19596077.61	28868357.48	34550062.57	21905013.26
C100	¦Â2-Solanine*	721.4396	C39H63NO11	Alkaloids	Steroid alkaloids	61877-94-9	1	2268167.083	1582105.958	2561095.121	2931626.607	1065623.15	1135359.481	1287388.644	2481769.274	2507333.27	2463546.631	1386533.12	1698471.558	3026663.663	823294.7451	781590.4965	3353316.194	1065916.081	1400505.56	381996.1133	3033313.738	817581.5666	4339549.714	2089106.008	4993173.525	2223110.999	1792887.707	1941515.638	1729010.688	1218423.953	2440821.12	1053583.461	523676.0404	6624953.279	1349092.704	1995705.621	2243794.85	2964644.133	3485438.04	2339403.666	1287412.495	1493699.454	1899643.703	1415686.245	1271489.337	1037752.997	3210492.938	1801673.62	3282818.328	1523552.808	1450242.371	4647304.072	1176947.064	3207164.494	1130367.147	753029.3348	2332664.602	1886633.777	3998679.594	2715684.167	1346713.833	5586839.119	1294225.605	2125285.526	2471867.882	1655281.566	2366161.973	2704092.08	611094.7106	1511884.647	4622533.57	1389298.618	1488736.75	4118642.34	1222050.187	3358442.971	1633760.815	1370660.961	1282990.416	1868560.382	2383310.125	3126584.336	1891495.183	2389500.95	2149133.326	4183526.685	1918245.147	6611795.144	3656442.46	2789096.721	2904198.982	3936265.52	2756320.164	1610444.279	5180453.361	3873188.767	2905099.6	2852310.61	3441630.093	1211530.32	1757772.557	2799421.744	1956433.533	3184917.037	1716128.814	1171849.378	2280838.795	3435677.86	3067712.981	1574469.344	3629521.682	3480548.576	1348158.681	1388852.647	3631631.906	2557278.875	1241569.147	1059321.494	2892269.576	3919371.135	2551278.644	1996655.087	9226096.331	1362006.579	2272802.892	3010226.381	3254514.871	889180.8076	1134956.537	1933464.189	1555446.116	2462895.188	5088332.39	2664726.388	1944448.897	1535797.12	2065290.564	2649944.154	3050150.812	1808476.848	4545367.988	466804.4011	1725416.147	3886721.458	3185202.79	1629432.189	1457491.707	1152479.438	1610073.647	1798074.939	4100396.021	2294151.665	2613109.301	728815.6481	2748420.727	1061153.626	3142872.075	1541459.647	1328369.251	2336253.177	2152297.438	1400479.304	1767890.692	3400743.773	1691104.359	3015195.37	2226415.046	3313127.475	582565.3921	4034288.873	4252830.677	2040944.251	4625833.506	1151009.376	1736586.384	1223232.647	545907.4584	2102848.748	6225610.985	1580561.708	1961898.656	1781448.189	2181120.034	1079043.954	1634522.656	2303687.841	3316915.167	1598243.647	2870570.19	4819975.26	2357105.678	4386148.376	2011702.147	2028191.15	2231656.753	2179038.6	1682414.398	2183681.454	3067474.461	1936210.891	1710890.994	2845583.525	1020240.333	1800450.189	3685798.241	1516173.565	4475596.97	1075998.939	2534587.45	1430797.561	3366145.991	1832916.938	2133408.192	2076273.637	5426101.124	1323647.771
C101	¦Â-Chaconine	705.4452	C39H63O10N	Alkaloids	Steroid alkaloids	472-51-5	1	23945151.21	29369585.67	26404463.69	29268111.89	17334108.21	15256046.74	21317256.7	33605472.04	18876591.12	28549821	19045888.91	23826384.78	25456833.53	11853387.4	8934756.103	38351431.55	12236088.85	19399275.97	6410362.693	26902323.92	13353748.61	32927537.17	21929613.38	43889594.66	17285402.14	24810478.44	16811124.5	20715497.69	16617783.1	19567182.72	19977776.72	7938351.151	36302203.49	16979185.96	26999290.38	20998612.67	33821945.08	42991284.93	22420337.79	13360216.03	16785714.86	18189323.24	15227798.88	11778278.58	16144163.73	32691168.73	18770610.98	33502511.95	21832299.65	24246783.19	43453081.04	21035967.19	24586294.37	15353976.99	12668730.62	29474175.22	19906451.42	26519481.77	30814100.96	14211003.35	28322213.43	21796533.59	21657660.76	22902229.03	19678159.57	24527638.25	24249906.21	10682216.93	17262161.11	41254152.28	16734520.61	18456369.33	35705738.93	14386069.85	35075911.54	19748086.03	23046097.04	19738706.95	17753510.19	26184944.71	33908436.22	25175495.83	29851141.63	22874167.26	38747640.45	24966846.03	47233772.42	36517325.44	23671193.45	31422950.37	35810846.31	30355854.67	23340251.48	45107116.44	41848650.77	33217737.96	31636639.54	28706361.15	12193552.74	23553378.47	27754366.93	28291703.82	27110536.03	18632358.93	13208923.69	25836673.59	24401546.57	32278588.55	20143319.39	51929674.15	28112987.25	21981047.9	18148049.84	32180315.98	29240681.54	15691465.05	13151736.52	30332316.07	43667476.36	35194878.61	21617847.05	64391061.46	22879875.13	23972407.33	33672540.92	30502880.95	15477566.48	15716444.88	18242173.14	17009720.51	24104597.84	38978301.44	26711664.91	16730752.35	24473005.08	27316885.57	35929437.98	23545796.75	21057233.3	38021781.75	12231248.38	16094149.37	23710456.62	25760013.09	15551806.61	13058705.6	15907136.72	26164975.75	28297570.4	NA	20615406.3	29576196.63	9297864.666	29205397.6	12648839.61	38785473.11	19991715.57	19993944.62	23812149.46	17430930.59	16105098.6	26603748.33	34603611.89	22907297.79	27478240.15	27949597.37	42907636.35	7994222.527	26745943.74	32817087.86	28399565.3	42546148.29	14306984.26	20755393.15	13994483.29	13816068.65	26718263.85	56603304.09	14471318.94	24586863.54	23985187.55	36532955.7	9982446.597	23878398.3	21513582.21	31896943.72	28307749.23	28423303.15	40128144.37	29805187.54	50564717.61	23716765.31	21537446.65	24389785.08	23881644.6	27386796.04	31639907.55	31653901.87	28179083.48	29619601.25	33077019.88	11440003.72	24960177	29356479.11	21010078.5	46916185.31	18662538.14	33008190.82	16990451.29	34132049.45	15187180.65	18890406.02	29443619.8	39112876.49	19875614.93
C102	¦Ã-Chaconine	559.3867	C33H53NO6	Alkaloids	Steroid alkaloids	511-36-4	3	20986.86627	19556.28036	23477.5047	26910.15892	12656.553	13321.9075	14279.22	20107.85127	14228.4096	30661.9716	18193.63509	8866.497333	26229.30818	10402.27636	NA	32912.022	8115.66	15591.36345	NA	17957.8575	6422.5564	31316.3781	11817.08	45414.70927	14300.912	26228.16827	16356.45	NA	12681.46125	18440.52	3091.041	NA	54077.0048	21561.8256	16479.41291	20127.5022	38827.875	23663.74518	23001.0599	11820.42667	15815.4477	23955.2936	11068.9605	10877.526	15166.40667	24697.38982	10942.95483	35079.5993	19836.72191	16072.30227	44113.995	8998.857	21440.9623	16303.8652	12792.72	21372.849	15735.3555	27873.54533	30283.044	12134.76	45955.2786	10099.9799	17366.59633	17439.79182	19918.116	31139.1332	17969.09	1031.578	8481.6665	40182.06236	14211.91567	9928.18	25625.08073	NA	26796.2814	10342.87333	8373.194667	10735.73033	15678.21689	23073.3587	22037.62	13404.2756	31107.648	NA	37636.72755	18697.6503	59853.22636	31170.6396	18174.55729	27808.192	28573.93836	21563.7084	17733.4855	30494.83827	36376.11418	32832.35655	28509.16909	32538.186	7990.56	21059.4487	18946.359	11484.40455	25183.55891	10161.41922	5372.131333	18478.98	21252.98891	16963.2905	19442.8608	35875.42282	24738.54982	NA	NA	26532.59483	21310.92782	9224.485167	2827.386	25711.74982	34598.0525	18523.5	22466.51618	62935.75167	NA	17983.116	25257.555	22737.2244	5675.99	9590.7422	16279.41891	NA	12344.892	28279.7228	20766.03927	16117.4784	NA	17929.56345	19421.246	21061.12144	NA	41034.54709	NA	13791.8025	15975.15333	28745.9607	NA	8048.3325	12327.1296	14857.9769	15748.00333	28260.2808	23873.4145	24301.424	6636.45	38604.55218	NA	35303.772	10926.335	13493.5065	14916.9438	NA	8762.3185	18167.61527	32834.90445	13174.18483	33131.0562	15209.06636	29142.261	4573.112	26934.69867	28802.45317	15867.69	38333.75891	NA	17401.44455	9709.2	NA	14377.986	59710.81745	13526.92209	17399.57667	NA	NA	NA	NA	21374.01	31081.131	15266.80245	20344.74136	36188.2136	17545.0408	6424.032	17005.4706	18045.8192	20828.19345	16313.753	13526.83309	16434.6615	NA	19979.8144	15127.34333	28262.8038	NA	17545.0408	30144.4134	15866.541	38429.45818	5417.731	20155.56545	10365.7228	23804.6	18750.531	NA	16033.41	33218.7856	NA
C103	¦Ã-Solanine	559.3867	C33H53NO6	Alkaloids	Steroid alkaloids	511-37-5	1	5173681.396	4883721.188	4571499.3	5412557.749	2884736.616	2445070.418	3322112.696	5169719.133	3905721.367	5747118.936	3243862.359	4218636.899	5841932.213	1847139.481	1783734.137	7387180.692	2270915.826	3032707.765	979718.5434	5411068.079	1963728.849	7644648.544	4126372.491	10179385.78	3978211.819	4392570.495	3023944.807	3603429.391	3000912.289	4938885.107	3069471.769	1438362.954	11065191.54	3627655.948	5541577.33	4619765.625	7527120.201	6331119.62	4371377.769	2633713.418	2800520.657	3164963.411	2556796.481	2130341.107	2351512.824	6436650.073	3642763.04	7424622.294	4234156.903	4005269.34	10247051.73	3214497.88	5875560.639	2980314.2	2544687.047	5215013.03	4078446.719	6650790.873	6591512.979	2837901.083	8380709.755	4059294.777	4166287.436	5067240.317	3339701.341	4957451.384	4962141.015	1467380.993	2954912.193	8805721.647	2733761.41	2894409.756	7243213.688	1894440.934	6783849.224	3743398.801	3942434.558	3139143.201	3725101.413	5131033.299	7191235.908	4527037.476	5507084.927	4179328.963	8552234.764	4568908.667	12339189.24	8094666.157	5495375.8	6681750.597	7524084.297	5776535.949	4021927.211	8886791.76	8692353.186	6056599.257	5865178.77	6997599.398	2094215.288	4316022.7	5201121.537	4899648.953	5714785.567	3631359.31	2366434.483	4343245.316	5223446.21	7231880.715	3857970.55	9297485.59	6106281.11	3890884.384	3112695.315	6706973.336	5577872.004	2975613.927	2051026.098	5603723.54	8161378.13	5468155.493	3892614.04	17294100.86	3008550.297	3660291.014	6147419.623	6124215.258	2035447.607	2549946.324	3302138.29	3298947.899	4759279.03	7964096.406	5239214.458	3745070.055	4430140.496	5545186.533	5507702.292	5654847.624	4603031.835	7746883.721	1763578.724	3109484.018	6063163.515	4447042.668	3397106.924	2594696.103	2525363.201	4158633.239	4575103.127	7654847.581	4025138.043	5114202.167	1416098.003	5903376.156	2302583.787	6475880.036	3436914.247	3215239.138	4286750.35	3732203.61	2982235.96	4185773.277	8597735.47	3977203.487	5014335.491	4998847.161	6379201.47	1319286.99	5543868.477	6315711.112	4902067.699	9434530.784	2477845.87	3688562.572	2676806.381	2030556.324	3777885.953	12530780.73	2811880.074	3437684.651	3904109.667	5468963.077	1731123.512	3911128.005	4151569.385	5707452.7	4627970.216	4782156.226	8800209.945	5055820.47	8210561.513	4398155.071	3450425.341	4331743.686	3382313.617	4253313.928	4880650.005	5807718.016	4651742.538	3742997.278	5266049.941	1517464.12	3567327.17	5503419.3	2977991.735	9440460.894	2694509.343	5576863.358	2154710.031	6011206.543	2921244.7	3137472.8	4834740.097	7422240.188	2944147.388
C104	Calystegine A3	159.0895	C7H13NO3	Alkaloids	Tropan alkaloids	131580-36-4	3	122605.33	369745.0943	NA	NA	74543.48633	126580.39	62122.04267	99096.26711	75656.21925	26285.9685	NA	51028.51725	NA	415155.455	130123.9011	15474.368	62727.2115	67043.19133	166725.234	41092.34938	NA	230141.0367	90250.59633	667916.9726	NA	15576.204	133379.9177	71841.446	75150.912	39771.09	NA	NA	39419.002	NA	255929.3135	27590.444	205504.4712	97994.81417	26275.9042	NA	33499.781	700209.5242	131423.1057	157120.563	190092.798	NA	28566.15	NA	27594.52	500371.4375	77529.53025	43186.878	146459.0227	75856.97667	82122.72225	133415.941	NA	30948.63267	43746.15	91549.15333	61961.9472	NA	35315.605	50898.092	NA	254349.9267	NA	NA	60310.21063	80434.03	78635.2435	56891.74833	20631.605	85018.09167	216137.746	118589.2789	91449.42888	NA	81456.64	NA	NA	56905.5312	207911.275	105704.7595	67934.19533	NA	NA	NA	NA	222313.2489	71555.34333	NA	NA	366776.917	NA	47062.798	NA	NA	53304.924	NA	65962.65088	NA	74277.364	75873.6072	119060.53	62650.542	120913.7438	NA	71819.85222	79775.12833	73342.7928	91819.81125	38039.72667	NA	25190.83263	102163.284	37314.306	NA	1038290.262	82767.77325	154057.5713	268081.0867	57551.45889	111227.0859	528282.3405	NA	51086.973	152594.544	27827.59	53623.65667	15550.191	36743.653	48994.58333	NA	63656.77767	NA	NA	15084.165	NA	NA	42532.63467	100527.5448	64024.65063	22213.764	228472.9086	231449.621	107648.5733	37119.019	NA	89582.09867	NA	273494.9603	NA	242141.076	329512.586	71135.53875	290334.8298	111870.8645	18973.2888	NA	NA	54971.76362	282546.9982	621799.9733	121560.1275	305823.477	297417.8228	NA	221063.7285	111154.199	428073.0552	NA	NA	31534.66	272655.4444	32880.514	58170.9384	78206.232	30984.8832	58178.5624	66604.18125	27734.39167	26743.71375	64018.64625	30221.28	NA	NA	85078.4685	66389.1305	77602.64825	NA	201083.9873	NA	NA	70245.8532	38572.1136	16891.66975	148432.1144	NA	21278.6025	263177.5016	NA	NA	71136.87162	146788.1909	NA	NA	146789.5238	133431.35	69628.67367	96455.601	147778.4422	143188.2357	69549.1776	76503.0528
C105	Calystegine B1	175.0845	C7H13NO4	Alkaloids	Tropan alkaloids	127414-86-2	3	467897.9995	1240973.128	161381.7172	59972.853	217187.3772	330795.131	178356.304	404467.74	319845.0667	104575.918	220620.6871	314624.9459	253885.477	719467.0453	92585.509	158253.8025	152220.2812	268724.657	53830.245	NA	131728.966	759221.5024	345723.6556	1006808.876	234807.1249	301429.84	379689.744	57620.646	68607.437	286663.0977	168204.6781	212663.9505	304152.1408	365487.99	329665.9356	276999.904	488259.1166	519248.0656	108635.1742	124058.3197	307968.6768	1285672.893	236447.5666	211669.2784	636834.672	217384.9029	115249.5275	222782.4955	309521.03	297503.7989	460566.77	336238.771	NA	381668.98	247855.2791	548140.5431	222290.5716	198273.2375	353378.7554	473215.81	352397.3137	341456.8185	330313.3267	186504.5696	277528.74	670588.1886	341800.1181	252067.1273	329751.09	235103.47	250800.0467	130738.582	202576.7717	223374.1681	408389.3556	223395.8657	274740.06	174374.883	483416.7645	210684.837	250121.2625	97961.58	476468.0383	267935.7125	250118.4375	230910.6011	163879.4898	268644.5468	291340.588	522150.5286	520459.2144	356064.38	310869.33	849791.4027	47844.105	153569.0933	400520.1114	122604.104	169793.8305	383213.3727	111980.506	292603.6125	335596.3731	248139.6431	451340.8667	NA	445944.5288	195017.7407	385687.2172	442618.2063	500801.0193	304224.1626	NA	198026.274	255585.1459	430888.256	237231.3134	197499.0854	490418.9353	365739.538	583155.616	663484.9008	258770.161	479444.36	724973.7833	228782.7483	294657.3875	272918.0044	218466.8389	319845.0667	173639.8706	278395.9586	237816.7501	228932.5522	409135.4636	276152.4268	73448.931	230834.3609	243244.872	54797.65	223936.4486	NA	71479.36	83957.9345	563211.6333	404698.9093	686471.7513	NA	240524.7375	NA	281178.6919	762378.2327	NA	719381.875	647721.556	409597.6275	NA	77211.5095	88590.079	101927.914	100029.168	289963.73	604005.7704	367750.8914	304016.0803	316960.6246	514786.3878	204180.6576	740361.2784	NA	905743.341	186606.9876	202839.2375	269642.672	NA	NA	274281.6124	NA	252877.14	84625.4555	223237.5002	261708.0047	130427.6025	208302.7145	272941.023	163418.4406	222004.1644	313753.2942	536782.9078	341682.411	217209.1513	211848.7482	194598.4399	239683.7787	NA	244648.5814	312299.2056	355851.4776	283899.16	226903.1362	565572.0322	168889.6344	356001.192	263283.8223	466974.5008	168562.7191	137940.4547	670361.6945	358083.744	106966.31	211941.3997	249096.9511	390992.2613	150212.2577	460268.5967
C106	Pseudotropine	141.1154	C8H15NO	Alkaloids	Tropan alkaloids	135-97-7	3	330509.1204	415450.1138	195398.6027	74223.268	179290.936	143704.8638	126735.768	206653.104	613034.7862	185194.91	294020.7204	401863.3625	74941.26933	753564.2693	163112.4112	207711.6204	115961.2388	272435.2693	564127.4887	163844.6013	139646.7204	911839.6027	63556.444	591176.7884	298273.4216	327000.6204	387289.936	206059.9613	140279.91	783193.1625	121630.8625	241620.6027	134480.615	259011.1105	315116.6216	326909.0362	456840.5362	319364.4125	175552.6612	162482.936	396394.2693	314380.4347	295546.2693	371182.2693	610550.9347	82644.936	164494.6613	140348.4204	106440.1612	NA	370568.3625	147463.3896	145813.3625	523974.4125	409442.432	381687.2693	225944.8705	439641.9125	298572.9112	587585.2693	161700.91	NA	409700.6027	203102.2693	296317.104	894322.6612	534359.936	431410.936	148067.1204	501511.0368	104579.2387	303877.9347	146375.2693	485176.6613	252049.4625	390533.0863	368380.936	160420.104	436313.2693	162172.1125	188350.4347	356627.4113	756885.768	NA	254287.104	94741.119	84865.65733	150613.104	93149.936	693870.768	490705.6612	330085.1137	188105.119	802396.6013	NA	239870.6625	149491.8216	80177.41125	395330.4112	241620.6027	337485.9347	370481.936	160807.214	455375.91	877132.4888	195557.432	592992.1612	227647.1137	791382.2693	439814.936	466516.2863	214216.91	311069.4125	97455.53625	181348.768	544864.936	153342.1013	304546.2204	653416.6027	1086455.411	421606.2693	512130.5363	161779.3896	256161.8705	1013196.161	NA	278037.936	558435.9112	287142.2693	779476.6027	111969.1612	296946.936	254926.936	NA	189095.6027	362090.91	295175.8625	188885.5649	136617.619	NA	126065.6027	319281.9204	310253.2693	NA	1290969.385	557158.2204	269798.619	199553.1013	371882.6027	448112.268	139371.936	196977.5362	260282.3705	631695.1612	1322935.269	607194.6027	292044.6027	336511.6205	126609.6125	217624.619	NA	220610.6027	313754.936	352306.8705	380986.936	127466.2693	504581.619	299209.91	357175.6027	243721.6027	465026.936	245010.4307	271752.3637	409877.5	255627.2693	443709.1612	487437.6027	NA	166537.91	230779.8566	265368.768	502844.936	137540.7862	352273.2693	122563.936	255723.1612	58819.60133	532258.936	788580.936	521053.6027	284332.3555	436797.9113	226549.119	21714.714	509130.4307	283640.6027	68654.119	NA	186610.6612	99528.91125	332663.936	254340.9112	629350.7679	247920.8705	236718.2693	83345.26933	128166.6027	431812.619	542540.0363	98052.26933	281985.9113	133233.6205	224812.6027	102965.91	346951.6613
C107	Tropine	141.1154	C8H15NO	Alkaloids	Tropan alkaloids	120-29-6	3	20282.24	36207.98038	NA	NA	NA	NA	NA	NA	49183.79288	NA	28124.6832	NA	NA	107611.04	13138.28625	11820.04286	11756.03625	13291.6425	54918.9	NA	NA	30751.06667	NA	NA	NA	27118.9	51413.70667	NA	NA	60116.294	NA	NA	10940.294	NA	19124.54933	13138.28625	31232.26875	28015.294	NA	11682.83738	53609.34163	NA	28289.898	37211.6825	61008.37333	NA	NA	NA	NA	NA	NA	13705.7508	15089.81667	45245.70667	NA	44538.48436	35970.6119	27905.1425	NA	NA	18880.81	NA	35437.9	32535.7325	36136.25829	65120.37333	NA	45950.2832	NA	NA	NA	NA	18252.6204	49357.70667	26832.45345	34136.14286	NA	25467.90033	19691.59733	NA	NA	NA	44683.5228	NA	19889.98556	NA	NA	NA	NA	71282.59444	44556.14917	NA	21183.35538	69735.5918	NA	15284.3925	NA	NA	41671.48038	47912.5782	NA	NA	NA	36890.91788	NA	14007.18337	39923.301	NA	71425.31583	21262.6425	31117.898	NA	NA	NA	NA	44407.294	NA	33991.8548	95281.69275	67031.124	44860.38182	NA	9833.6216	19638.2228	NA	NA	NA	51596.23486	38946.85762	53337.6204	NA	NA	15719.85538	10869.432	NA	29378.60538	NA	NA	13548.124	11842.40075	NA	NA	25464.89917	13955.8925	127850.1803	21266.64375	34652.898	NA	34806.27575	38939.73038	NA	11777.232	27036.52457	48744.9228	105785.5258	51915.54288	NA	NA	NA	14744.1204	NA	27332.294	30744.48038	65125.65222	NA	NA	46320.6204	NA	70566.5303	19922.1125	26009.77867	8829.882667	27441.0843	NA	37040.1843	9163.566667	37573.85538	25715.544	NA	NA	42522.2832	38899.4825	17684.898	28912.63433	NA	NA	NA	33037.63317	34634.432	47134.98037	NA	34045.11314	15445.8204	NA	29818.13	NA	NA	36482.46767	NA	8208.294	38260.294	25912.3925	25963.91788	NA	NA	NA	9484.7228	40988.54288	46116.801	NA	NA	18954.3204	15837.46767	14568.60538	27039.38286
C108	1-Methylhistidine*	169.0851	C7H11N3O2	Amino acids and derivatives	Amino acids and derivatives	332-80-9	2	331379.1902	481183.4808	223175.0961	218230.5898	207761.5683	424358.395	264702.6871	232658.2965	137832.6652	188594.562	239803.566	239108.3822	181872.293	295009.2958	216210.4298	202818.7739	263756.5795	247863.8118	290993.424	222269.5069	203413.2773	184307.6565	305624.884	288179.3673	279518.5967	259987.5776	259382.384	294870.3617	291642.3624	218973.3267	239781.7689	203084.496	182562.996	271427.1714	237108.403	250927.9587	246536.563	181187.3087	187249.1916	190614.722	205140.2071	202063.6982	200044.9411	151554.0867	274806.2929	165696.6096	151552.6838	200861.4732	158287.9533	391475.3899	254599.0813	246536.563	275250.9595	235758.717	244699.2113	306485.35	194100.9676	258661.289	198715.308	396068.303	236705.345	363238.0527	251906.9376	315982.608	453148.3862	245843.6518	378785.9059	320814.1603	232373.1127	330401.1546	224985.08	242458.9167	267399.0396	396171.7893	261163.7702	226767.6709	410213.349	283152.562	219594.754	313869.734	174465.856	214478.648	258288.2049	240474.2	237777.634	200046.344	199028.6494	164364.256	152252.9898	272786.1329	202227.804	301096.427	237681.7667	361013.8151	509939.6867	227002.594	294278.3947	255353.34	222289.917	324671.036	354278.5456	216899.591	152839.9364	150815.4534	316037.2009	216379.2813	223855.8677	239127.32	192068.836	252261.37	192636.2849	218230.5898	232391.517	192412.9452	262006.3347	244498.2813	275479.6796	246535.16	274130.1004	262401.4822	268748.4393	353605.1589	311872.87	210149.9498	284929.658	220941.634	253611.6622	163676.4496	223654.508	228353.683	171087.9116	230352.9527	265377.4767	205432.0344	228590.2564	183207.4687	229680.9689	237761.6089	311174.7844	258664.095	309176.304	193309.6716	157580.0615	256659.8907	198872.6813	257314.409	393341.9867	205417.1667	193326.385	199371.5544	298380.4378	278843.8071	324201.685	337468.5171	561419.7832	265129.5675	407516.783	238864.384	182602.876	290968.9758	274826.655	258661.289	259336.132	239800.76	316561.8778	219597.56	169511.89	205434.8402	303878.208	232373.1127	369254.1402	197385.4618	212188.317	221597.5231	464645.195	304280.5616	174453.442	241801.9289	212168.7069	200047.7469	287603.4453	222289.917	198833.0532	292314.3462	212857.548	183896.822	185983.576	180515.3249	438464.5049	323698.0428	227658.0031	259986.1747	229679.566	151551.2809	124561.5051	218483.4762	195329.8316	188593.1591	156266.3904	195553.8806	284451.162	219596.157	127837.0996	227677.437	181201.659	209476.5631	199036.8926	240086.045	198026.184	248537.1984	226986.0193	294337.312	548332.5027	244819.025	183208.8716
C109	"3,4-Dihydroxy-L-phenylalanine (L-Dopa)"	197.0688	C9H11NO4	Amino acids and derivatives	Amino acids and derivatives	59-92-7	3	471316.7627	397109.3769	326785.2176	294421.1442	528766.3649	757577.056	363638.1213	535243.1718	314099.37	363127.0167	488077.831	281088.7457	362149.9353	346573.208	355670.7891	325228.3851	310598.877	243789.7877	384594.0475	414637.23	362487.2449	284091.8875	266908.4716	463737.4886	404379.4877	217556.55	308557.3137	402503.0617	421267.314	217882.2517	355985.828	269401.3405	251468.5788	291523.3092	254731.1374	333587.5573	342989.058	355519.0773	301928.6573	303968.793	163796.9817	404946.2287	231874.4254	199980.7735	424328.2313	320798.1277	234920.9383	292663.65	289934.3642	201016.252	335377.7469	236648.599	363107.55	274580.1832	286629.7813	264265.246	265729.9	473798.309	214484.7238	281316.5945	248112.552	364724.8228	317544.6388	395767.7597	629707.2351	274063.8943	433607.916	325003.347	558106.9526	344059.6176	287682.7157	284554.995	270819.8007	299860.662	387204.961	213812.45	423194.1	251978.3153	383615.1443	189068.4	224445.067	294216.6	343238.1923	286117.249	316245.0937	251946.0473	233758.2463	223951.812	317651.8619	271420.5431	409537.6047	286193.6303	281289.376	443952.9086	422220.8194	492660.1869	310598.877	199489.1763	247897.5677	281020.479	414017.5466	267757.4557	223414.5095	246847.8497	192922.8607	232058.6507	159127.7267	313147.262	854914.0003	434588.2	373835.9443	NA	251468.5788	285097.895	274898.6443	243434.9904	255887.3	212375.7	387127.2771	331824.192	354969.3293	251947.475	346014.95	315733.9293	191811.8334	389647.3527	359599.825	259598.3407	231194.1778	227468.7023	211150.4723	314206.1477	NA	333037.514	294276.364	242414.2596	381238.35	321170.6289	311618.231	177490.3753	231163.3152	258069.3097	NA	351482.208	169035.516	309104.4992	217269.4517	410509.03	341114.49	174429.458	411068.0633	293769.5423	355479.0063	246849.2773	339197.5145	187227.744	442474.8634	243818.2478	281527.3007	299355.0403	475893.9943	375877.5077	254526.9978	344297.7352	207197.75	287014.6267	208574.88	266770.6687	209641.6292	229507.4103	NA	356759.4674	267278.9773	351105.9909	276654.0408	288440.1996	225427.139	187546.33	NA	108783.35	165757.8107	NA	245318.8187	261810.217	278500.3195	137214.7833	236138.922	208659.9948	187224.9034	278727.8982	421778.4187	334619.4	247081.45	200981.6	194852.1315	188031.65	261302.7454	188580.3582	171367.113	171974.35	249196.4575	248160.979	199905.6725	152497.6427	207579.878	215227.8883	237281.2035	199403.8534	182077.4683	271428.4	158031.4608	250929.5487	271943.15	221183	191257.365
C110	3-Cyano-L-alanine	114.0429	C4H6N2O2	Amino acids and derivatives	Amino acids and derivatives	6232-19-5	1	31342.4312	36857.5405	20495.6312	26824.59283	16280.1324	13966.74556	25383.45833	18907.5445	20547.2905	24887.74556	17286.33375	20035.80222	19498.2945	15433.68375	39575.393	22054.175	33374.95875	29857.164	20404.8	23821.29817	17104.8815	17154.7956	32854.7225	7335.548167	13714.42617	25036.84283	33575.72517	14246.93375	19189.72517	33150.2312	19943.20717	23985.0585	19293.6324	17967.64912	20555.5452	23512.5324	18826.03867	27726.8312	16318.70717	20180.68375	20275.1785	26521.6312	29203.83375	33150.2312	17157.6968	18478.08375	21098.2312	17958.66625	15714.62383	26114.43375	14469.6312	23633.5445	26707.80875	24436.83375	21960.80875	26713.435	31777.47517	17213.80875	22786.22517	27731.4324	25515.6825	24195.2564	22359.5405	21956.1825	18899.543	26241.47625	28180.97517	22186.8085	17213.80875	24111.2312	25521.05875	34167.89	22549.4325	14565.41587	10684.4325	21700.8312	19676.344	28347.03	16023.6825	33262.93875	23623.543	26526.0324	23740.93375	23623.543	17289.92617	31051.164	18916.1	23067.7956	28607.95875	11028.2315	17128.043	17289.96	19293.6324	31958.40375	22903.9452	18749.8552	14864.878	24717.9324	33758.4324	27470.8236	11813.543	20987.97517	25183.89183	12522.59283	20180.68375	19893.0312	24804.543	16952.71875	12604.8	12464.1825	11923.45875	28204.8	21011.31783	15947.043	22096.164	19587.30875	32641.55875	16192.64183	20679.7945	16925.125	18396.6825	24581.05733	25404.6564	23985.0585	23147.55875	16880.0312	20706.0968	12466.80875	19111.164	21205.38875	13266.6324	20111.2956	12464.1825	28487.93375	26404.8	22906.0312	24334.30875	19339.12383	20305.164	33835.435	26982.14183	48817.8312	20706.0968	16880.0312	19498.2945	18085.2312	24436.83375	10734.84283	15317.2705	14954.6748	26824.59283	25183.89183	16047.25333	22228.34533	18690.9324	16094.58375	22966.79167	14181.5445	19896.3324	12825.7248	16792.0585	21168.2552	18592.893	10929.04312	25673.8628	27336.42	18096.03	4128.01375	24334.30875	29490.97667	32661.0564	20180.68375	15124.7564	16843.6156	31448.1825	22878.45983	17949.9375	16318.70717	30400.09283	28359.5445	31051.164	27317.13556	19339.12383	22786.22517	18687.8312	27295.4325	24799.9564	22644.4575	7124.9325	30212.62383	16641.42	18309.043	24423.3248	14046.5248	24111.2312	20176.4325	14408.80133	16696.344	31448.1825	16616.9325	14368.496	35596.0384	29260.164	29699.68875	33233.0405	20180.68375	17109.5505	22649.20875	25183.89183	16694.0095	21010.63467	21965.435	17154.7956	32376.89183	32376.89183
C111	3-Methyl-L-Histidine*	169.0851	C7H11N3O2	Amino acids and derivatives	Amino acids and derivatives	368-16-1	2	568047.7323	282643.256	416331.1845	463386.5703	111613.6712	589752.0951	345339.806	134918.6175	184003.1592	163129.172	292747.672	477621.3	376703.3672	470991.9819	328906.3652	453280.0417	147917.7787	285655.785	473066.484	188282.38	257680.5	488324.1268	612345.8607	547704.3636	270883.1785	471422.9326	610039.8722	359000.88	498890.0662	308297.76	246389.7	368209.9292	115175.636	523467.2727	223866.182	197404.0127	313374.2206	364989.1486	252389.9	226718.4233	342410.3564	376681.767	429266.3098	383597.522	338954.1868	108007.05	305701.8428	216050.6	238376.1352	472263.116	481799.8763	357064.5818	376246.8448	447710.3588	352655.5154	404830.0635	316731.448	393304.9248	248571.428	567283.3455	392818.9842	574037.5589	541767.6278	427333.3802	657284.3305	189616.0185	454542.564	274855.32	420506.275	682348.5708	187486.6143	473498.2368	424634.1908	309212.32	341596.4841	354085.69	555563.3738	467072.9198	156175.112	517328.6478	167148.9637	414974.7005	224627.9778	429702.0998	449578.8917	452237.2809	360083.8255	323686.6358	354617.571	482419.0235	429878.89	525629.4267	436183.8533	780136.527	354857.04	314111.1568	450449.3647	502177.019	570350.8465	615499.4615	621991.1767	431598.4698	212935.6093	266307.6625	496272.0997	412653.3975	397451.8972	424630.0905	341183.1693	470003.16	284496.7384	152372.3075	403449.5618	332443.937	373479.0073	439872.9365	490125.9308	307312.4297	456931.0165	350886.6192	250755.384	641357.8382	384210.7385	511305.2753	443555.8006	414393.4545	374400.253	222301.8022	287666.5438	421888.1435	231092.344	394664.0968	450478.1963	253904.6979	345350.9442	415692.7311	368868.6785	311761.8558	233709.372	380583.3124	433201.9362	87936.07	170927.6008	410823.6277	308216.9915	360591.2497	235860.6417	402039.0797	237064.605	363334.3703	414455.576	456441.1968	407111.089	300817.5692	468919.5117	496120.8618	404891.5752	317943.1357	301088.7803	220269.1	395610.7727	196302.9982	248353.95	382560.948	563437.4035	151475.57	341184.536	361335.6415	433039.7091	272359.9648	535859.6358	251342.0485	390594.0096	353799.3455	634902.2843	577304.9519	278501.8595	199100.6723	169332.9	434420.6788	555595.8807	343111.9421	376684.5005	254936.6857	335209.0408	150569.772	297865.7873	363313.5852	274092.288	612735.893	419585.0293	312124.856	385464.7688	193884.39	266860.3314	358264.7855	323945.1218	112806.7388	203199.48	408083.4024	235098.9483	409878.7578	233146.6673	398862.1826	400683.0912	285372.1006	341645.1307	389615.8417	284142.6403	232607.2513	383066.6954	390076.4645	490205.2964	288181.7732	346276.2903
C112	4-Hydroxy-L-Isoleucine	147.0895	C6H13NO3	Amino acids and derivatives	Amino acids and derivatives	781658-23-9	3	152925.8625	119762.6027	91749.26933	100293.3625	142968.3625	119791.104	169222.266	143608.104	131245.0216	121677.5884	185400.7896	115940.8625	120940.8637	82526.61375	95250.936	171776.5884	146747.5896	144390.8625	99599.61375	103138.3625	119497.1125	76835.61375	56904.2675	64019.6125	147261.7388	165728.3625	148684.4887	123395.6738	111332.1013	127365.615	139646.7204	161086.112	79692.269	128743.3625	157932.3638	131611.4888	80543.936	125920.4887	106001.9888	133010.8625	107707.9493	120246.1884	121630.8625	120208.3625	85357.1125	107405.8625	127320.8625	112384.6125	173207.9884	90335.8625	110497.2773	145127.6138	166439.6125	188290.2908	266632.2549	126414.112	187098.7387	176070.7884	177526.9896	147463.3896	211855.7884	156509.6138	186090.5884	116652.1125	124497.7388	116652.1125	98194.115	203295.7896	163594.6125	145813.3625	155798.2387	151503.3625	108828.3625	91758.3625	93077.829	116959.675	89590.266	159355.1137	138725.2387	139409.2675	194889.6125	173582.6138	116233.268	155770.8625	168602.9887	193247.5884	132027.175	170025.7388	123764.6125	143864.2884	98729.10133	164334.7387	160038.3625	102353.6884	157904.6125	164334.7388	206158.9896	179336.6162	189232.8638	151277.6027	131588.3625	158615.8625	125989.3896	140123.3625	135168.3638	135855.8625	167150.8625	164642.5896	93197.23875	151736.9884	136567.1125	202713.3625	106729.269	151758.1896	129550.2884	122342.1125	113807.1125	113385.944	182087.1125	145102.1125	169284.6125	102427.1125	103156.4888	176095.3896	258821.1995	111967.4453	138013.8637	130265.9884	134430.5175	76108.0175	153884.0884	145838.9887	122051.944	103849.6125	130981.6884	195015.5844	141543.0175	110270.2388	128743.3625	115940.8625	136567.1125	129454.6125	193612.6956	140072.2693	119015.5012	100293.3625	138700.8625	135137.768	171448.4888	137278.3625	198973.1884	131588.3625	133722.1125	154621.3896	121694.5896	153637.1125	150107.2388	109536.7675	150305.5884	188491.2773	146747.5896	140147.9887	151042.3896	186116.5896	146011.3884	187548.1896	169689.898	126562.266	116672.6138	116667.6884	171084.7896	120940.8637	176811.1896	100290.5175	196853.5896	204011.5896	168913.7884	137278.3625	173552.1125	109539.6125	248356.4884	155770.8625	109733.778	164305.8625	165420.112	249822.7896	231163.3625	187065.8625	109498.266	239085.7896	156482.1125	151503.3625	173923.6884	153105.1107	211169.5896	177819.6125	214002.8884	141021.1896	150305.5884	116260.936	172159.8637	160749.6125	182087.1125	191842.9896	239740.4887	163903.8884	188979.7896	206238.6956	263880.8625	243415.2511	192044.6125	361698.9286	142965.5175	206845.8884	158178.2884
C113	5-Hydroxy-L-tryptophan	220.0848	C11H12N2O3	Amino acids and derivatives	Amino acids and derivatives	56-69-9	3	64672.92	56230.84618	107837.0828	96913.82	137451.16	NA	112421.54	NA	59399.22885	76923.65046	59587.32615	83892.44554	60109.108	59019.49417	111633.3598	129850.8101	139813.268	95409.49785	125051.3452	97726.44792	122480.451	50760.94725	NA	NA	93867.02975	81163.84508	142175.8913	90067.4065	110402.0677	150982.1405	NA	76284.67	106339.58	52040.592	111242.496	83509.11217	104560.8427	77610.0105	96249.20386	107220.3858	72713.09846	NA	109271.8237	101609.97	54173.9585	140718.4532	69759.9835	NA	NA	NA	NA	NA	114577.105	74131.50575	NA	NA	58948.66958	69457.3735	54140.45644	NA	91475.488	106200.9265	NA	88715.95767	101330.0874	103969.3825	103809.8206	156807.18	86078.5695	92717.03458	113222.367	75662.56377	NA	NA	99199.50423	203989.1386	NA	95490.90708	84627.10054	140590.0377	125801.9406	126418.0023	142194.233	150634.965	97312.6	141747.1182	89728.65425	53623.57	156155.49	122216.014	237696.0228	NA	113163.05	116780.916	148658.5717	70908.1045	98286.177	129339.4589	100879.0738	97960.335	72806.6885	76503.90282	95981.27	105620.7796	111101.4627	97487.227	72417.15523	58355.35418	NA	85533.57831	NA	46546.83875	85550.74338	97645.76123	NA	NA	104287.7653	86717.83077	NA	68441.82154	61062.44215	102192.5079	107155.9771	62531.45173	90946.24	65916.62	NA	61279.40069	NA	NA	NA	NA	79348.82038	74140.11533	99018.33111	89473.7655	80421.64542	73828.5295	118185.984	186412.1013	89960.967	91836.36	73017.35683	72737.45117	102776.6984	73556.435	NA	94771.39843	NA	NA	100721.39	132971.0131	87740.052	69041.6576	NA	91409.78933	NA	89102.95158	58998.50646	82199.383	99381.61007	95096.22	55258.368	NA	NA	NA	69246.4825	65739.355	NA	NA	NA	64861.956	125531.9485	70026.47727	152729.3132	72899.352	113322.8573	116399.1877	101327.9696	104839.9092	NA	95432.86523	69008.63708	273494.832	70183.79692	139177.8427	85394.18923	NA	118132.7175	62500.11662	NA	92177.88277	64880.2	117407.7046	85604.72442	80578.32792	55550.11	103534.1292	177290.9902	159129.2885	53633.95133	90945.47	51238.129	137245.116	56216.025	102215.7058	102781.6989	NA	89010.06583	53935.12962	NA	72453.67183	57223.93692	149985.7161	NA
C114	5-Oxo-L-Proline	129.0426	C5H7NO3	Amino acids and derivatives	Amino acids and derivatives	98-79-3	1	296913.795	213905.2312	231219.1688	159163.6644	284568.5368	455381.728	241907.2136	197475.7867	285258.3067	239778.1632	291790.8067	283053.295	263893.21	358191.795	306307.4733	177006.1644	405063.3563	332654.1156	508947.9656	424660.0644	335125.038	309128.9813	304154.6062	224338.1973	345849.5463	235732.864	170868.8148	410273.728	442952.9148	363017.728	502892.8053	190943.4136	245461.7735	168503.6187	291583.6356	410989.728	526156.0136	334733.8644	215782.1925	289985.728	204840.4644	308876.0175	195254.9733	196989.7644	526960.8067	215364.3575	269386.808	383979.1644	226833.4136	413298.7656	248049.9675	265816.995	337226.2462	111575.2313	386174.3656	342111.2175	217458.3562	298647.2293	191875.8563	403618.495	335766.995	374506.4813	177240.0396	458261.3713	460555.9305	201201.728	567845.5467	351055.8563	152513.728	157525.728	270013.995	231357.365	434992.05	644934.5396	612768.995	312039.7463	436572.9962	432067.1062	192680.5632	300845.7463	148300.995	205603.1368	356116.1212	198700.4962	221088.4963	143553.3562	209194.8713	128289.5343	183348.3562	225985.8713	238536.495	197363.201	227344.495	255587.1568	492889.4262	167714.6062	295627.1063	210802.05	148358.679	157055.2312	323876.679	190454.6063	216096.5148	352617.9962	414884.6212	351862.6644	280506.495	230885.5467	309185.995	341985.679	189743.9813	282633.7644	213500.8787	298838.538	368821.4812	236437.995	275659.2463	364557.7313	288952.1212	518763.3563	128015.495	212765.8285	410037.7313	152182.2136	442978.179	431143.7656	390850.8562	205162.05	218918.1075	318087.1173	238637.3653	176366.1113	271739.4675	307142.3713	389560.864	175239.6987	264987.396	324762.7312	376979.616	310640.4963	391229.9733	360027.538	253906.9935	358233.3913	538378.295	470822.6256	440594.6063	219401.679	308876.0175	298323.3067	263569.032	411623.7435	799331.808	558878.0175	1027902.699	294035.808	480382.6913	894636.5175	415636.7662	427017.605	509540.8067	443437.1063	397316.3575	241662.1075	395525.9413	198931.3245	356471.808	587930.8067	720887.032	328552.323	443489.9733	267130.6987	215715.4935	301173.323	551610.5175	310662.4733	376968.4935	475498.8575	396301.1187	238581.5307	202535.0745	332659.295	360019.14	460118.4136	316336.3935	415052.8937	304855.8067	193722.31	458392.8935	193485.4425	198741.4935	368195.864	395584.9733	332437.4733	260183.7675	343298.2644	182390.1413	492112.864	277750.6973	334460.5392	320854.278	220533.728	101421.4425	274069.3644	254577.4412	416435.0175	265952.0163	351309.14	92912.47333	445214.032	342005.7	394891.038	855750.1075	388008.3563	292583.808
C115	Arginine methyl ester	188.1273	C7H16N4O2	Amino acids and derivatives	Amino acids and derivatives	-	1	5956880.85	8033643.921	3416026.239	8410088.145	7441456.184	2127271.614	7504696.829	3966527.148	5163343.533	6074324.881	4682124.608	6311182.487	4280730.987	7218289.144	5328544.98	5162695.63	6463607.635	5505788.958	7524284.588	3697927.576	5001099.72	5019555.859	12569948.73	4025943.855	6233449.147	6340261.201	8116766.39	5423160.466	6467905.768	5829334.412	6068436.197	4032136.255	5519175.329	4234941.586	7412013.73	3145744.204	6515565.32	5365484.139	5523372.146	4672381.327	6260660.018	5874761.153	7242842.944	5979205.31	4318199.054	4415141.655	4523553.632	4036672.938	3588895.21	7298591.885	3808586.804	4138219.521	3658220.366	5054804.021	5003496.677	6748910.651	4383689.532	3677573.483	3965933.987	6295237.716	5189090.427	6997325.539	6630233.291	5593110.743	6141168.212	5626713.715	7014544.934	5403474.848	4212319.544	4806690.866	4678756.722	4825809.939	6604755.974	4205977.085	6035259.342	5748028.512	8286744.48	5382626.403	3277422.084	5885127.066	3503072.055	5311842.256	5944448.37	5995697.964	6298385.182	5204682.64	5053093.801	3574994.184	5118695.627	5652325.472	5837735.175	2833281.666	5842761.358	7936276.528	9166657.3	3841810.334	5220437.199	4541912.541	6200872.178	7841159.629	7541192.754	3882361.855	3827889.584	3724749.659	5634333.283	5325728.118	3556336.093	3702195.757	4097418.253	4966349.07	3425958.283	5840370.917	4896583.995	5242410.234	5378355.115	4378396.583	5003385.392	6208614.31	4647674.89	5595606.672	3813322.283	5203908.41	8538974.112	6822083.368	7599398.822	6008955.438	2951671.928	3152403.883	3636282.185	6035867.456	4483645.744	4441331.883	5149074.56	2354582.205	5789044.933	4566277.312	9124684.68	6225744.172	6696955.327	10582628.55	4592218.374	4605320.547	4537217.157	4020910.29	4241062.799	4285327.584	7525571.2	5758827.12	5823766.661	4727358.718	3904222.332	5868331.022	6841772.429	5400305.487	6606813.195	4526946.869	7803323.387	4156317.765	5038850.283	6559078.981	6044065.073	6194246.539	3633695.083	4277841.44	7061063.78	3497269.707	4120431.318	4833330.539	4849315.989	4131440.683	4648195.229	5975941.646	6673985.455	3265527.883	6521273.373	6280966.235	4157112.714	6038051.776	5257400.192	8542944.17	4937190.712	3846284.289	5306070.936	5773663.848	4567291.548	4961765.358	3565803.04	5452054.924	7485228.703	4643460.923	4371396.348	3613549.132	5128087.805	5257676.275	3392692.38	4301879.472	4125305.061	4495372.453	7098312.979	4448144.382	4132869.474	5466796.619	2491683.706	5895536.104	3502745.483	4494719.127	4957903.084	3651520.683	3332031.083	4392087.509	4338883.706	3991331.989	7009854.915	4329771.52	4384688.651
C116	Cyclo(D-Leu-L-Pro)*	210.1368	C11H18N2O2	Amino acids and derivatives	Amino acids and derivatives	36238-67-2	1	37095.1815	40661.464	17233.25625	22677.183	19751.9855	37202.83125	19760.895	44683.234	16494.183	28132.027	47811.7355	9359.4855	22677.183	5299.236	22677.183	25993.737	19384.08	66784.88533	17673.4855	43717.632	9357.234	19394.496	17673.4855	28597.4508	26747.171	24738.183	50941.737	27020.234	8117.13375	7147.582	47775.79733	44242.4225	15684.212	27557.582	24404.132	18555.183	9359.4855	34701.082	20414.082	10199.078	17524.683	35740.2496	12477.2355	25687.384	16269.464	27462.4175	30823.21733	22875.237	33647.578	16634.2355	31183.7355	9535.236	34309.737	35591.46667	42545.8	22568.50375	43527.28933	24729.9588	29112.237	42545.8	34245.8	19751.9855	42538.96533	20548.216	25532.2496	46378.683	36812.17867	20621.1845	39433.3	27057.162	40205.4345	29791.216	25724.9225	23605.7096	12477.2355	22605.884	28465.464	23908.9855	35249.292	19756.737	23847.792	22752.136	22656.9516	19889.2125	17590.638	22671.6815	19861.27	25808.1945	28470.132	38125.4315	15369.2856	10204.08	41226.183	48723.792	39655.01333	29058.3	31850.384	41624.162	40704.848	58379.00533	15568.29867	36285.792	32139.792	20791.2355	25993.737	30921.183	40681.468	37618.632	52581.309	29221.68	60347.202	46913.33867	16332.082	31108.29333	48850.9855	38134.683	33262.2355	21609.9225	37095.1815	34107.5825	48224.9096	27993.792	29978.20875	36082.4345	19321.632	31133.3	51358.216	37630.968	41285.734	21904.0065	34293.234	34931.884	24404.132	33262.2355	27530.578	32777.0868	33876.234	48439.683	25768.683	24583.4856	37612.464	28470.132	27026.7355	21413.578	15296.578	59164.08	17416.8856	40852.252	48839.234	17669.234	32536.132	61836.183	34864.50125	32602.809	31183.7355	29890.683	28853.1815	26091.68	35959.05067	36379.9855	46600.236	38789.205	27453.632	25987.4855	48839.234	51272.7525	44317.683	NA	22836.968	28151.33867	63702.88533	21835.737	57015.792	55924.8	34245.8	48427.9315	30178.662	22744.58375	48191.12625	14433.183	27904.70625	30246.0065	20758.3	34012.683	39999.87875	41226.183	50241.37625	56125.7355	58218.237	49890.2355	31011.58375	62866.683	30144.4855	31183.7355	21640.2588	38134.683	36388.737	23591.0025	13320.3844	39617.00533	46761.234	61220.8	59243.4855	33213.63467	39278.58375	29058.3	36525.01333	53732.83125	70555.6488	32959.5552	24811.33375	35349.237	42664.662	27908.0825	33202.96533
C117	Cyclo(L-Ala-L-Pro)	168.0899	C8H12N2O2	Amino acids and derivatives	Amino acids and derivatives	36357-32-1	3	65612.2005	67518.984	47622.796	54590.796	39615.825	45690.19933	47361.62017	53036.0775	39247.866	50382.7005	79658.866	58574.866	52848.796	24448.64683	26800.825	48039.7005	32805.53267	52443.14057	33172.64567	65042.796	61549.9615	36805.71625	36603.29371	48374.0775	35743.33817	38076.53267	50067.5852	52074.36	31454.07375	53676.33375	36801.344	23089.78567	42500.2852	54482.9505	37496.2005	46282.4505	18044.979	32618.82375	19810.825	35499.979	57103.07625	43163.443	32632.82625	49789.866	23387.24333	43129.3275	32604.5852	25032.984	46868.2005	27210.60333	45104.53267	32525.46267	59168.9505	59160.53267	46282.4505	46595.82375	60375.28567	38667.7005	67359.866	59355.14567	61567.6305	54482.9505	54590.796	19790.479	45719.72	37490.866	40772.07375	55171.46267	77994.984	62862.984	50375.53267	30267.8135	28416.28567	28652.3545	NA	39253.4505	35515.0852	57989.19933	37063.70067	40154.64567	46328.18875	50905.95233	37299.03683	45966.3945	65109.95233	19796.148	52485.66317	54917.02233	43945.70167	40419.19933	21759.528	58574.866	53529.1445	43212.119	29706.94875	27307.29833	57419.86833	44531.535	50058.984	50142.35567	43693.325	28511.93875	38617.128	28517.979	48896.148	29099.81233	50076.1864	53897.2005	62675.85567	16931.00267	39399.71875	58811.94	27940.14683	27828.37017	47148.984	40305.344	35215.06778	38797.1045	37261.3852	42481.979	58599.78567	42034.37017	48300.31233	47447.19933	NA	45384.6445	38662.19933	35733.866	23863.31233	30191.78567	23898.5775	52718.19933	40164.984	29041.46267	33976.866	39594.105	73216.53267	30547.5705	49204.19933	NA	49789.866	36742.2972	36910.4505	35153.2005	33395.9505	25614.984	24621.38556	NA	55068.7005	15733.325	50813.84	33110.8805	75730.825	50547.56067	34292.05183	54010.12933	35433.8805	19806.57375	38412.3828	56825.9505	48618.53267	22671.772	39253.4505	49789.866	41318.31233	52848.796	26192.4828	23300.82375	23238.1305	32048.86556	32224.4505	58583.2005	45367.689	57997.4505	50038.6445	47453.9505	39499.1305	32184.36	51546.866	25635.825	65602.866	70681.2268	34848.12933	30295.825	52725.7005	77817.46267	79670.2005	72145.1445	90200.866	61777.3275	32590.81233	50319.36	52268.12933	51554.2005	44132.4615	59160.53267	72558.21829	57609.64567	32625.825	39795.56375	100171.4505	60363.99667	88431.2815	37170.796	32219.866	59355.14567	37250.8135	82587.19933	81404.2815	32618.82375	56232.19933	45181.54667	44543.49667	30845.31233	54132.984
C118	Cyclo(Pro-Leu)*	210.1368	C11H18N2O2	Amino acids and derivatives	Amino acids and derivatives	5654-86-4	1	48792.13067	41226.183	7035.7755	25768.683	18364.08	28937.83125	30246.0065	42605.234	3006.99	25768.683	30823.21733	14722.10333	18305.132	11426.0512	14239.132	37744.08	23464.08	42128.88533	19524.384	20616.183	10440.012	8156.076	22869.7355	35043.183	23661.671	17365.8496	11440.737	15591.234	18390.252	8168.082	49458.1815	33678.4525	7086.569	33563.63467	23475.582	36602.132	8312.45	39165.183	20101.0285	17467.216	13264.08	30921.183	19751.9855	34301.4855	13220.464	12238.078	29105.2355	32230.737	28675.8844	16442.884	35340.7355	6905.944	30828.21867	54908.13333	46378.683	13497.968	38578.755	22670.1588	35290.8512	28020.8	30095.8	47811.7355	43576.29867	14612.67867	26432.79733	56683.683	39327.2152	26441.46667	36073.683	33563.63467	47999.252	28059.234	16466.1725	38364.96	11308.88533	20551.55067	23383.79733	19751.9855	39395.292	19756.737	15514.136	21729.27467	11383.638	8164.08	14601.00533	16412.25125	6276.27	18523.6725	44317.683	40185.9315	32037.20625	13264.08	44317.683	42769.258	33262.2355	35283.3	59308.236	32982.183	61574.848	28151.33867	27544.08	35915.3096	51113.258	20125.236	5299.236	24622.255	22677.183	45750.632	48625.638	26990.0512	36211.638	27109.00533	20621.1845	18480.312	40074.21867	27829.683	31855.552	24696.1725	33547.13067	19756.737	23774.634	24884.292	56348.34667	45323.5576	17439.5025	12458.3	31845.216	52083.252	17673.4855	17582.136	32215.234	33904.71733	39651.632	22444.08	25287.3175	43149.21733	28065.9855	32982.183	35043.183	11437.9855	23383.79733	15069.7755	21830.4855	22433.078	22869.7355	30767.7525	17470.05067	21641.4315	46230.71733	23398.29375	44620.8	32982.183	45650.96533	17582.136	21830.4855	15389.0025	20611.1815	24426.24033	29796.05067	27741.71733	29105.2355	25659.8108	34569.132	20791.2355	23775.0825	43287.183	35747.252	NA	31519.632	30903.3564	46772.4855	23464.08	32834.7084	45952.7508	25754.8564	54890.13067	19393.582	19751.9855	29738.87625	25420.632	32770.6844	26680.5084	26799.183	33300.162	26558.252	28860.183	39155.6815	38458.4855	69652.737	33910.21867	33800.9868	64927.683	40302.20625	44871.68	36332.46933	35894.0025	19756.737	11341.683	20786.234	22939.672	51956.234	46140.87625	40536.9855	20621.1845	34301.4855	28860.183	33395.01333	29105.2355	40527.234	32165.632	27750.72	32888.22	20621.1845	35290.8512	37462.162
C119	Cycloleucine	129.079	C6H11NO2	Amino acids and derivatives	Amino acids and derivatives	52-52-8	1	1865726.512	1483613.425	1292901.762	953166.3076	754197.9305	1221123.578	889071.2574	1824954.144	927605.3229	1025912.81	1721899.88	923588.4375	925727.272	1177691.572	1017746.496	790767.8678	1907432.145	2105108.404	1485842.461	887482.7895	981870.1707	567813.3598	620226.2145	555949.075	1159597.634	1128281.996	1053923.64	1796385.372	1502095.08	887578.99	1386655.796	1275440.481	643388.2122	1317914.696	1146815.92	1559796.854	1174653.452	786515.48	822618.7069	931673.7546	553774.68	975632.0593	576464.812	664152.6211	1142166.914	580397.1661	1105341.173	1345859.421	1093485.946	2082478.54	797734.399	1712859.153	1843796.028	1536442.65	3368732.699	1286584.675	1500794.05	1181169.875	1142975.272	1245677.487	1447436.86	1684444.204	1236462.71	1912560.351	1222951.482	1172687.778	1810313.713	1234057.766	945177.7858	1074277.078	1446538.107	1225936.736	1847801.404	1817590.712	1580017.66	991605.032	1353871.207	1610680.626	1036623.96	1432251.097	960804.3548	1405755.818	843457.8618	828402.324	979324.6419	862334.2543	1117328.516	1003365.107	793128.0997	1001922.582	737357.238	1110004.777	946088.3434	820257.109	1357912.999	1226954.86	1346381.232	1491491.405	1170613.608	1239033.018	798240.5699	761669.2668	881205.1833	900304.9823	947385.1749	1141909.745	1411150.995	1179101.198	1313350.277	906707.5964	1092363.995	1236860.751	837954.7514	989824.09	1560199.069	1053530.232	951986.1916	940303.3036	1052157.433	1641291.401	975577.5846	1033477.352	1415450.132	938617.0071	1068376.498	1611195.266	1385308.669	1647583.987	1829190.828	1198730.951	1411084.885	1143509.12	1552584.805	1245044.798	1600003.731	1337857.136	1214673.339	1368007.131	1443896.512	1345997.813	1679193.9	1077119.324	956400.6523	1176677.764	1179610.978	1301485.246	1368011.866	1051076.325	2057064.227	902708.5345	1247962.257	1647395.934	1519594.66	1662540.617	1849879.306	906764.8021	1452019.734	1297361.515	1021585.718	1314992.204	1346256.757	1741297.755	912322.7435	1013602.037	816166.736	1225394.147	998779.7032	1641134.899	1437727.538	896937.3315	1505998.234	1441669.57	852609.802	1269835.615	1359197.385	2088943.206	1019703.215	877747.888	1655269.601	639164.496	968818.0513	1016770.513	1294675.536	1536169.184	1383629.532	992821.0204	1492327.116	1242570.634	1158679.568	1433266.49	1008883.75	1892776.536	1264178.51	1180663	885520.6727	1477265.188	1002782.629	848941.3485	906313.167	817186.278	1760967.789	931932.4149	1668029.77	1283582.39	1498895.266	1650346.892	1040441.473	1373668.971	1042818.245	900968.766	1187822.323	1347845.855	1539764.004	1149517.304	1825407.264
C120	DL-Methionine	149.051	C5H11NO2S	Amino acids and derivatives	Amino acids and derivatives	59-51-8	3	8958301.86	7447586.906	5291272.696	3657921.777	8726063.464	6150615.119	6250445.085	1609264.16	7070108.567	6584874.835	6446185.574	7230971.49	7912377.325	3267771.123	10027936.51	4698953.698	10272027.77	9410832.341	10607927.29	8628158.102	8529102.315	6456231.779	6321299.591	3628776.162	7711320.558	10658402.95	8479733.698	8252085.144	6726924.263	7041486.397	15117519.25	6418418.519	6685075.75	4095840.467	8337524.144	8135617.424	11608769.96	10933941.88	9111760.352	8414102.716	6720392.567	6578717.35	4726832.362	5960265.042	7188967.91	7030588.588	9328487.57	4406725.995	6942024.755	5850338.025	5964112.751	6363389.721	5965639.736	5966007.616	10105951.23	9151717.74	8659470.67	6451210.159	6550885.047	10508037.05	11664889.52	4616061.156	10320459.84	14687239.65	7180480.186	7493277.645	12977620.43	10456698.45	6019436.775	5403204.085	6956999.065	6146600.259	4340022.349	7376169.892	9513342.545	7573861.12	6049646.664	9829793.812	7051205.634	6899827.314	6623173.93	8582706.652	12663803.4	9086792.017	6342517.062	8686163.385	8620237.85	6297927.396	6835746.935	7234852.415	7685877.032	4611018.93	9107496.505	4734163.927	10526841.51	6044470.856	7237426.812	9571411.219	11070988.27	9636291.441	8029308.98	7132153.26	7991037.569	9542690.113	7858750.274	8422645.26	7294166.052	5920635.505	5836350.986	7736250.858	6854072.818	11501270.97	6807955.497	9765553.462	6865405.554	5761662.705	5765210.42	6125849.499	5958028.873	8922849.473	4826407.363	5871569.322	12105061.66	7249467.545	12528074.76	5507362.601	11502016.08	6721491.735	5549472.32	6249312.58	5225752.9	4103842.701	3497886.247	6320565.8	9565094.84	5192585.066	10578112.57	4655649.175	7343166.91	11293860.9	9909783.317	9711051.716	7702744.313	6973473.964	8971990.082	9066958.488	8447318.522	4962009.801	5648933.544	8922448.605	8185425.056	11152549.84	12192594.5	8084548.305	15421196.63	7507152.71	7569743.908	13124221.69	12927717.73	9450746.741	5315530.859	7998629.794	7616602.285	9204048.831	13603624.81	7481982.995	10164534.92	13564001.99	8577429.968	5400203.457	10568151.29	5722317.443	9618238.958	7673517.827	7875022.405	15093408.91	8525671.758	5643914.486	6617711.462	10840906.86	7053891.462	9606833.943	9285796.653	8815309.822	7766384.189	6707637.897	7958761.494	7968301.016	8559689.581	5875284.968	5506196.439	7966356.502	9849904.271	10496306.86	10758678.26	7185373.211	7896295.183	9686111.114	10260672.55	8765778.88	10171083.21	9067742.761	9839908.805	8185120.167	9578696.735	7400207.932	10930396.28	10676004.32	5597263.539	9969180.081	9264085.456	10757063.87	7922103.338	11054129.64	8369829.257
C121	Glutathione reduced form	307.0838	C10H17N3O6S	Amino acids and derivatives	Amino acids and derivatives	70-18-8	2	172351.032	101168.209	451204.9035	352002.6048	287561.676	NA	265887.888	NA	186288.025	137193.912	91396.951	487192.644	131242.552	261293.04	NA	233518.1533	482126.1745	246420.9742	132202.5705	199727.532	NA	502183.402	77383.564	NA	246749.976	406103.124	276059.2835	219816.828	356433.675	NA	70272.832	262937.7196	324862.5464	217161.0653	371122.1993	219299.157	426791.6568	432133.2	253953.824	636695.696	403573.744	206955.84	NA	297289.9104	273700.0525	480072.322	184333.1875	69588.6555	128073.715	266974.32	467634.678	301728.3885	138871.3956	288770.6623	108355.401	206526.477	187245.76	282977.24	139263.0732	144339.384	283065.2055	84466.544	75947.088	461922.615	145437.824	267571.469	61665.689	346064.366	185600.646	450733.92	73716.58	127912.2833	NA	227318.721	165315.9	252568.797	130569.656	176669.885	380489.2613	238348.432	391219.508	305592.9158	124021.4173	267511.167	617704.248	308212.056	393047.6095	347977.6075	111362.42	178341.8175	280197.468	149920.8387	229617.315	162934.947	137599.196	221936.562	144644.346	77248.3635	174256.824	164013.85	192406.5	158642.253	88871.497	835246.308	283065.2055	180336.132	223964.433	182586.5787	135014.152	188192.1195	369642.042	295648.132	163857.386	205192.2053	98654.838	312522.235	333352.0575	318836.4795	63799.84	112233.744	501381.272	123671.826	NA	NA	140204.61	125347.936	54685.0275	116705.68	201475.3832	266428.352	217847.76	235282.0008	125852.6533	175750.344	168640.1235	221114.712	226622.4333	NA	258408.9783	88654.797	277361.469	300834.654	61487.669	NA	301043.952	38401.147	516082.237	346809.3293	156990.6007	792420.972	338052.8387	NA	45218.06571	287349.0162	154495.6875	390380.067	182858.4433	293574.32	93093.81225	711792.2045	116192.1495	NA	219298.1175	361348.236	136807.181	NA	115095.31	442935.85	173610.808	408039.4465	47749.086	110946.8745	156493.141	85783.005	300692.007	96430.257	279294.5173	79984.03	139967.1	657040.2487	280781.5093	599076.4	202487.425	71545.6665	20561.07733	134384.985	175231.6335	238994.0117	533034.58	118082.202	566645.424	190082.943	212766.931	69760.174	395721.831	107111.1438	191546.8635	124329.975	784488.989	NA	173220.397	220335.5385	379702.3183	163387.12	282748.55	142446.6493	121363.7003	518580.7695	312615.072	221997.36	144057.35	221478.4	278402.1593	803831.445	112501.9665
C122	Glycyl-tryptophan	261.1113	C13H15N3O3	Amino acids and derivatives	Amino acids and derivatives	2390-74-1	1	38127.00556	29914.72667	23465.06	41055.06	28799.4512	NA	21275.81333	16997.2935	NA	27542.36833	17601.72667	31673.72667	14670.06	11759.0512	32809.04237	56299.72667	10577.35	13501.1175	34013.0525	30579.09	21121.72778	21715.68425	24971.436	31208.7492	17848.55778	31676.72778	46289.73212	24028.85713	24637.72667	31679.72889	36327.0435	18906.629	22385.33111	21791.1492	17605.06222	28126.5435	27119.4728	26467.77038	28270.44111	22269.0435	26504.27444	28543.69987	24614.66962	20610.28162	24059.62062	12374.94111	8219.614444	21701.8025	37689.99667	NA	20054.79	NA	23495.56825	17641.20337	40683.45556	NA	29058.48312	18776.17222	36995.50463	59322.8205	27608.57667	30250.116	24814.25513	10605.534	10898.794	35971.29	29657.116	37544.17333	21821.23333	32886.85222	17621.4129	22878.72667	16591.8262	23008.42688	11801.79	30469.5435	17583.0435	19356.8025	23056.092	23493.06713	27213.16	31988.84333	21254.2824	25945.074	25485.47638	21823.29	34495.32713	36547.98263	40099.8752	30563.82612	15844.22778	29486.79	37216.06763	53377.116	24324.2172	28900.01333	18875.79	23595.0764	28360.63125	38604.1256	16525.57333	31403.22413	26113.6785	22421.92433	41058.95	7048.394444	21149.31938	28761.12333	45976.98263	24082.69325	17100.67013	27179.92333	24748.8569	22437.74838	18465.264	24637.72667	21683.2935	30686.02	20533.39333	21237.79222	31396.67667	33215.116	39943.5705	21147.06825	31715.31825	25780.79237	30501.06	28712.2935	21097.5435	23598.11438	16495.99667	18182.36387	NA	28696.526	32837.05137	21113.30138	37537.06	19948.95	32886.06713	27602.50463	39878.61444	9571.588	31055.2935	25221.67	22285.67638	25802.80137	27569.39333	20023.6481	28742.06	14744.574	31051.97987	30662.9	45806.31825	31231.72556	24073.7607	24082.69325	13515.88187	29917.56111	31676.72778	23566.85891	30501.06	26570.5836	23465.06	39292.33667	25810.39333	18211.44325	46393.44325	20513.98213	39958.225	32539.70838	22266.66738	33398.2935	NA	36367.83889	32269.23	28155.72667	17632.05	26534.574	34740.3492	14391.597	29328.39333	13593.56763	32849.50556	24080.12963	24617.29575	23589.56667	28894.56667	28870.67927	50503.31825	22898.1096	24223.69263	7678.862	34060.19213	22294.50556	29538.75513	17017.00556	19972.81825	44228.45778	25949.79	45618.72413	25228.84	22452.00512	12510.264	34241.47	19972.81825	15275.81825	27128.79	20091.88125	26425.566	NA	10799.0985	20533.39333	15842.72667	15928.29	19948.95
C123	Homoarginine	188.1273	C7H16N4O2	Amino acids and derivatives	Amino acids and derivatives	156-86-5	1	1280306.077	1501760.439	1236353.914	1687032.873	1390933.086	809446.69	1345187.711	757666.7591	959751.7146	1147444.488	873979.968	1183953.032	856223.148	1389438.515	1141454.039	965078.6383	1223356.214	1001403.242	1374192.797	780705.6306	1044453.576	974731.4155	2403344.968	775308.2695	1213331.222	1209521.056	1639205	984407.1925	1215124.433	1151505.075	1224912.066	758561.1308	1063025.948	802811.9343	1399696.12	626407.3707	1279144.632	1051490.324	1047200.35	909193.5313	1264712.073	1083196.056	1366117.183	NA	895498.6135	849457.3388	901381.8227	789359.427	747800.4949	1326404.816	741471.6233	905070.1683	643981.7735	1001772.928	980096.5589	1302140.516	912336.6382	702572.4309	741096.036	1304011.21	1029810.344	1339831.531	1292288.609	1124072.967	NA	1048531.714	1255656.806	1072207.375	873674.5917	999251.4183	938739.074	992011.3687	1233281.555	823668.3	1146146.752	1285084.977	1664213.51	1172306.748	659070.7995	1146655.006	774462.37	1031611.37	1224690.384	1222601.396	1232550.64	1077829.006	1007762.76	805264.9177	1026295.367	1089546.236	1102680.865	939153.5065	1155958.28	1584082.048	1880334.685	782770.3859	1035657.688	927903.8485	1254709.397	1627090.509	1547771.583	713460.38	836633.8745	745381.566	1103667.577	1049777.232	728269.6015	726844.5528	792891.8582	994532.32	695178.475	1149953.461	1082859.456	990455.0098	980095.2031	812680.7594	976913.5518	1332122.196	1014501.246	1155279.115	776201.4502	1118373.626	1608002.031	1437395.055	1277962.2	1269084.468	991118.1348	619077.4284	722494.0783	1205339.7	912923.9029	950751.0753	1085363.904	891017.6408	1157944.653	1016496.21	1679461.969	1236573.228	1382730.828	2176356.079	875397.0909	834559.3336	915534.9038	849466.873	860291.925	856165.745	1609496.602	983340.4196	1101495.8	896945.5856	NA	1277493.921	1304126.258	1049932.042	1386199.709	864747.2936	1467275.48	884867.6286	1023301.061	1212186.788	1087753.025	1248691.98	750761.2693	832768.2	1388242.584	746966.2505	853507.5082	901380.4669	976531.476	790256.7175	882798.5114	1185401.261	1225282.956	673648.6857	1251546.337	1333807.773	837464.4862	1210044.81	1038689.597	1793375.389	1034916.955	783534.3622	1025447.233	1181998.659	909912.9	1049485.692	702528.0375	1053711.908	1439276.183	1006206.577	911647.1018	724475.7664	1050980.555	979208.498	753431.5164	909144.8368	801772.1776	941188.3745	1367749.382	958265.6995	729350.8784	1111854.946	501562.1504	1131605.173	687479.8068	891851.6291	1008821.603	736604.3932	610199.5309	830655.5673	887299.1375	898785.6335	1404480.16	795443.6133	965891.6518
C124	Jasmonoyl-L-Isoleucine	323.2097	C18H29NO4	Amino acids and derivatives	Amino acids and derivatives	120330-93-0	3	3593.352	7344.222	21751.71818	NA	NA	53726.076	18259.24	NA	28904.0535	12406.40509	3754.877	40628.82982	7635.4245	6898.841667	26827.96018	3180.799417	4042.538182	6154.289818	6151.60225	17755.76409	2716.602545	27880.97967	11660.275	26350.3515	NA	NA	5390.02	17949.716	49941.5865	120765.3236	11371.06982	11367.12525	46605.79533	2859.441	NA	6032.206583	21996.53509	23769.3805	52393.34764	4555.772857	26716.10033	9417.708	8007.902182	53882.01382	27753.343	6213.56975	NA	5753.504364	8559.559636	12536.9105	13124.74312	NA	15590.26286	4130.800571	10211.32518	25480.32073	17084.476	31565.09455	12481.17818	5177.419	NA	5525.542286	36303.14118	32921.005	76280.39018	3615.758636	29903.91382	5396.25075	2917.093714	NA	11648.98286	6876.9	83445.96927	13561.89062	8994.269455	NA	NA	NA	NA	NA	NA	1643.588143	NA	NA	NA	NA	NA	598.026	1810.141667	808.5905	NA	1828.5876	2190.125	15788.71783	1862.421167	NA	NA	NA	NA	NA	502.3546667	546.744	NA	3826.499429	NA	3024.67	NA	2636.897455	2128.3884	8132.676818	NA	3887.709429	NA	4131.675	NA	NA	8134.397091	11366.22687	NA	NA	2788.998833	7343.125714	6777.759273	NA	5040.257143	4448.141769	NA	NA	3369.662545	NA	NA	29041.83818	6283.806667	5658.8705	6044.92125	NA	701.656	2087.10225	6325.253455	NA	NA	1816.371333	NA	3388.418	NA	8899.223167	1087.91725	8929.429	38624.2475	NA	NA	6111.556923	22096.624	759.0373333	35002.05333	NA	1177.60225	37898.51236	14806.18283	NA	14807.57675	8158.503833	3035.2215	NA	NA	NA	NA	9916.789273	36904.03125	3147.398545	NA	NA	13559.292	NA	28327.4125	43779.45817	NA	59500.4855	NA	NA	NA	NA	27213.79364	104216.291	12045.67383	NA	NA	27322.261	NA	21605.09909	5506.306909	NA	NA	2155.413636	NA	NA	NA	1543.8475	2610.898769	NA	NA	12720.15725	9880.566	30401.2555	13135.25633	12238.318	14677.60682	6567.796	5424.005	26654.13867	41728.76018	63660.43355	14279.23636	19877.14273	4740.527583
C125	L-Alanyl-L-leucine	202.1317	C9H18N2O3	Amino acids and derivatives	Amino acids and derivatives	3303-34-2	3	16836.822	53729.38556	67949.61333	57497.61333	28505.13	27883.61333	29778.67333	39596.5864	14409.7075	NA	NA	52346.63	20791.3905	34323.40889	NA	28467.00333	NA	NA	21505.134	NA	26004.05222	27173.46537	72925.04138	20229.88667	22926.41778	NA	NA	NA	19027.959	35330.58	NA	25312.562	32544.134	41797.9677	34101.33813	29475.6495	20241.56	44943.85444	29044.94667	20255.17889	45708.68	NA	23153.79333	NA	28264.2105	41081.12444	NA	27299.8684	26006.55333	26149.38283	28505.13	50821.77	26788.1864	NA	NA	35232.27	NA	NA	NA	26630.04137	12672.73513	45130.23556	NA	13984.66	36982.22	72185.15889	20383.9864	17923.5075	35255.923	36868.40667	NA	NA	30359.45	30287.4805	30660.97212	55570.4175	24837.0005	NA	NA	31994.13	15154.5912	11840.9175	NA	27195.84556	9875.978667	39928.07	29465.205	71627.2305	53161.99889	28931.01222	25994.04778	25994.04778	26063.106	54871.11667	31940.18125	NA	24887.07	19665.45	32336.3905	18046.74667	96998.89162	NA	11041.324	28944.79137	31202.55222	35875.12444	17348.2127	30082.65963	45321.562	41647.56556	NA	19793.97	55898.1864	39884.6997	18563.48	21333.959	63530.43778	155821.0044	19076.8094	20200.6896	29775.83889	25109.34	24883.9248	34593.6797	22570.3248	29500.89778	NA	26603.0171	NA	35506.86	21992.45778	19678.68	41025.88667	21374.93667	22043.48	32360.88667	26041.56889	94162.16333	24275.8995	31366.3075	46780.04778	19092.89778	23115.99667	NA	28355.34667	20793.64163	26124.0155	63548.77444	31244.56778	47425.78667	45151.90778	21319.40667	16712.29556	NA	21509.782	44474.77111	59516.94333	16843.93125	15596.1405	56693.67889	24891.29025	36660.7215	27734.21778	23727.1248	33503.32667	38686.1405	16917.7495	30027.3905	30057.7348	34441.44889	24839.27	34077.49222	32100.669	71064.55333	26617.45667	NA	27654.18444	63487.26213	20216.32913	35799.32222	11633.489	53698.78222	38119.21444	NA	26011.4605	NA	23118.22	28341.59488	73466.95667	NA	91948.89778	25487.77383	NA	NA	NA	49081.95412	49809.27383	33616.396	69418.23444	68715.9805	61326.68	NA	18597.46617	NA	39924.23556	42812.34556	29515.07	NA	30024.13938	24186.3084	NA	19631.7264	78566.66333	64196.1585	17329.76662
C126	L-Alanyl-L-Phenylalanine	236.1161	C12H16N2O3	Amino acids and derivatives	Amino acids and derivatives	3061-90-3	3	54963.79111	132284.4967	30607.95413	23041.395	NA	92272.5155	23897.6924	47069.7309	42738.95314	111200.9667	61298.28238	65345.59488	51132.85429	31838.22888	33512.528	87761.89162	NA	NA	NA	59862.359	17920.6495	94261.78667	159662.2356	84383.984	24413.60383	22525.57912	68251.28462	54359.23	75680.45657	77820.20632	100462.7666	62311.2305	55122.99883	32019.94662	15638.79	38113.01662	50356.22887	54968.75013	83740.99333	23243.02836	55703.08217	202722.45	NA	43414.83253	80701.6797	26028.84488	18906.4775	139668.6005	79151.88667	41659.56889	90785.84488	35890.35508	52647.1248	84699.85556	39895.872	79102.20413	85532.96889	34649.14162	87197.27	30927.4145	34729.9425	116857.3467	145477.8302	59897.22643	56601.10444	71580.21	63057.96914	49777.12431	38509.8624	31242.73	39844.95413	24972.68125	57120.16154	25780.05418	25987.09371	30792.18375	35920.80725	18134.512	33944.8512	42294.44708	74797.92	33126.9309	23836.106	11495.745	NA	109306.0656	29510.72437	79340.94692	78134.47154	26048.54025	61172.386	43881.3905	58866.80533	73004.14262	32967.09488	24268.88444	36647.44286	15158.32933	20624.7275	NA	45618.07912	35926.14046	50626.30222	24888.60162	17822.9975	22010.106	27195.84556	54460.29431	33274.33778	66450.36607	25026.09429	13811.7525	46930.79431	NA	93733.198	46222.54094	64321.06267	71727.9771	70442.51662	83747.895	25568.95575	39750.49371	NA	25305.93969	73564.8784	28344.45333	97599.66	NA	30654.39667	NA	31386.782	36453.56889	36032.78393	28869.87667	18593.80875	36591.0684	19635.1276	62938.64825	37045.12323	38782.47888	30035.77	NA	50852.3995	NA	42297.25585	30030.64163	37414.10107	23038.9096	34242.45825	60244.21523	54411.46333	32977.53769	39728.56743	98058.1133	49903.86354	20624.7275	45040.03071	54665.01214	52540.1405	22146.92215	26607.23	48262.29333	51991.55111	48596.23444	17244.49625	31887.567	53223.34556	12162.16375	73156.46333	43135.54615	56018.27	50231.85107	33202.29413	53252.35615	27027.1988	69287.89162	29904.09354	185299.8778	39289.10778	37258.3772	50402.60092	39517.43717	65289.08588	28897.8995	159968.5681	NA	21370.95412	74602.23111	66614.48446	27138.30686	54401.16525	42149.8276	28314.49667	29500.89778	17285.56283	33939.00862	50985.14046	47948.08362	45109.03238	33719.728	35283.6585	36967.99333	18005.18125	39297.3995	61011.30027	55536.90111	23157.91638	28933.79111	28433.92	34097.6495	66246.782	31748.82463	41097.89354	38692.16629	100486.8822
C127	L-Arginine	174.1117	C6H14N4O2	Amino acids and derivatives	Amino acids and derivatives	74-79-3	1	73997079.07	81253077.71	102838782.4	120590469.1	92533626.92	51057994.33	88905750.32	47136237.93	75031944.88	91170246.61	65410186.73	72192521.94	65259867.94	110384051.8	83401691.17	53182834.55	91230655.75	65317537.25	105526501.7	52451818.06	74400476.87	55647355.42	39332995.94	31935364.56	80923156.56	87981727.69	81590424.82	82363608.53	92491376.92	82454944.55	89119247	49257358.28	80673182.15	41314426.03	100519075.7	47249549.85	79991516.3	87871916.4	76365431.58	64361929.66	78427242.21	85002302.33	73514942.97	69578716.71	96012833.99	74126887.43	62138881.19	66820422.57	52643567.36	101945362.5	55343588.43	81144229.04	54133879.56	64013074.93	75834136.22	85068879.43	69818161.25	57845240.43	53301102.86	81272297.37	88060454.53	95901143.75	67931612.22	80870492.41	73185961.98	81135628.18	114130203.1	72219022.12	48756821.68	54931740.26	67939547.31	57995896.31	104124436.6	61744552.94	73241184.89	67606926.35	72574519	83122365.3	48702277.63	63044634.11	46812052.35	74875355.56	106587979.3	77708569.95	63424944.64	65905085.1	51021535.1	52587331.41	92911476.59	61038041.06	89723049.59	44549251.46	73872864.05	84769853.07	101870609.2	52519777.3	53993069.03	52742407.59	62856978.3	75453993.76	74939868.36	46313352.93	53925068.45	49503889.15	53471654.46	91562557.05	39797477.19	38635704.04	35010654.83	63182297.34	30437749.39	60554032.48	59444082.72	80815218.52	47340172.54	50081506.21	52009344.8	68007055.9	45220156.4	70901869.61	36267866.56	53599229.36	61973887.34	62481055.64	69143987.83	79465340.18	58987485.37	42758555.93	43815620.08	78136091.84	60069745.97	42897924.57	55158812.94	61183266.81	72614966.01	60489631.94	76934476.41	62573810.54	54607592.56	103769889.1	62116229.59	77725372.89	57687659.89	41816016.12	69040970.56	59006952.15	82843306.94	59688446.02	54456947.6	58104558.54	51378289.88	75795306.2	87064412.12	49239600.83	91107515.21	69573778.19	83227074.89	67857687.79	64487894.77	69864085.07	65685834.6	69406197.81	47312259.78	43494176.58	75000464.14	42226751.4	48954247.79	77365662.7	50974819.23	45410379.04	52420082.22	60302388.53	88889957.9	45161629.79	69704472	62890203.26	51128609.9	64278531.93	61679233.6	90988234.17	56174505.45	53772956.23	60202419.21	76191895.47	68635316.04	67067529.63	53573590.3	59525098.1	53990510.02	48709223.74	60658943.45	45012818.4	60361516.43	66743664.02	51697337	49734319.1	54415176.01	55405410.83	104741974.4	73693657.03	58810910.39	67731664.55	40369374.03	75016560.69	48179884.59	65185554.7	67569375.07	44516892.7	38228638.25	75834594.68	55837616.42	54128007.96	81380105.7	66851512.05	51924803.22
C128	L-Asparagine	132.0535	C4H8N2O3	Amino acids and derivatives	Amino acids and derivatives	70-47-3	1	2115889.165	1904685.86	1395700.166	1475453.119	1072062.147	928157.4874	1797520.228	1094599.691	1096808.754	1214598.657	1526311.262	1977723.02	1482057.78	1162217.137	1711248.648	1646520.322	1131445.929	2752548.89	1404946.553	1386454.982	1208074.336	913532.099	1799904.348	482655.908	1540841.128	1903826.553	2488928.728	1413038.497	1671072.536	2045713.644	1362181.558	1471408.351	1767307.207	1960533.537	2069563.33	1234459.582	857332.0685	1365252.58	2210528.149	1263933.421	1784984.537	1540181.445	1749393.459	1662123.978	1220589.399	1332707.719	1398012.665	950277.468	1322303.276	1351200.495	1574095.983	1799671.37	1475454.323	2526870.096	1637986.029	1577169.404	2166215.942	1444823.632	1597395.652	2084947.894	2119756.38	1682352.633	1935482.882	1897161.094	1434421.596	1717028.092	1440780.068	1708653.428	1315370.592	1591617.412	1728585.776	2060836.983	2230729.202	1031123.287	1089796.009	1275492.309	1444007.064	1665754.717	1392809.842	1860409.523	1722228.508	1683208.856	1653455.414	1688709.901	1234459.582	1981768.992	1224056.343	1613577.131	1379519.89	1371079.08	1621670.279	1491299.943	1425753.033	2097882.725	1623125.673	1202094.215	1596820.235	1957229.529	2424171.964	2121394.142	1482057.78	1226775.137	1262769.258	1220589.399	1529526.455	1765136.89	1857903.991	1188224.032	544413.7348	936826.0512	1209030.511	2787982.743	1158751.396	1375472.714	1570813.34	1447134.928	1699111.937	1477188.999	1116563.022	1151238.481	1506661.634	1402544.802	1456193.961	1232724.906	1625444.95	1458889.348	1107314.226	1265087.866	1444247.012	1752281.375	1477187.795	1255632.832	1169731.256	1126963.854	1470252.703	1978276.748	1853626.889	1358713.411	1422519.98	2099769.76	2137337.42	2077436.984	1055879.464	1049926.759	1745099.504	1068014.971	1255843.885	917907.928	2064873.672	2009589.176	1790086.714	2006145.942	1010222.941	1316525.036	1008363.026	1651145.322	1068016.175	1298029.853	1179751.44	1220588.195	974969.658	1311036.286	910241.332	866898.513	1809423.353	1435576.041	1686677.58	1059925.435	1392233.222	1166842.136	2039852.92	1475455.527	1267401.569	1396583.566	1766729.383	1944522.216	1408992.525	1006178.173	1627449.723	1945138.562	2229384.633	1837956.01	1586415.792	2014584.58	1549427.833	1446894.5	1769913.712	2154154.356	955739.0412	2047717.971	1091132.747	1731473.692	1250063.238	1307277.444	1433586.342	1546539.917	1491637.007	993950.53	2096553.729	1749970.079	1288206.845	2137005.021	2270518.852	1757482.995	2226765.164	1468519.231	1352002.904	1472230.732	2003710.654	1191114.356	1692075.453	1523423.346	937403.8752	1671371.569	1743612.811
C129	L-Aspartic Acid	133.0375	C4H7NO4	Amino acids and derivatives	Amino acids and derivatives	56-84-8	1	11923167.96	17048315.23	15831123.58	22777917.49	29141860.42	16649593.57	21119531.59	15767927.6	18930978.62	22618700.54	19984217.25	25745006.64	13412287.1	21821759.51	17757725.57	14426293.86	19539676.33	19798850.19	28369212.46	16883544.05	16624851.64	18199084.24	24617488.42	9806613.187	23158128.77	19674144.63	15775917.26	15967368.37	19780325.28	21810153.28	24587696.05	27233503.41	23458200.91	18411577.4	22435813.56	17062998.88	25328688.59	22496191.38	22532520.95	21666200.18	21745981.91	20819815.81	20402807.44	23861712.64	20016037.5	24535006.88	22722791.15	19797794.67	19778582.7	18656990.32	23749084.28	18568647.81	16896702.81	18402677.75	10868162.05	19659683.36	17287205.55	13998943.19	16771784.3	20029092.32	18776849.7	22995931.19	21988877.84	21642393.34	17022726.12	22515892.38	20707968.37	14949344.32	16179836.05	19948159.03	18140225.12	18374207.63	24214411.41	15166620.8	32723144.41	19355250.65	24833773.42	23419074.75	19312373.41	19986731.32	21908972.37	19735032.25	20918944.14	27776295.55	17096966.47	24980317.03	19452947.16	17050388.85	18315949.32	20484605.74	17459741.38	19450460.59	19011901.9	20052467.28	20794063.41	24071542.2	19891002.61	17387842.94	23109267.26	20596182.87	17053566.08	18183124.48	23775851.81	21712620.13	27952457.01	31492263.81	18540825.24	16640623.4	10953763.78	23556300.7	16533137.29	14079303.62	20617328.6	21710540.3	14786798.2	20752010.68	20845655.34	18572655.63	21971823.69	16850503.4	15850343.92	18365383.28	15491271.44	15338137.06	25700236.87	16234198.19	16536194.92	15553475.05	18530056.04	22052912.15	19900408.67	15138560.79	13213933.35	16585661.64	16265425.73	17932567.95	14183107.04	21023769.8	13140664.45	26842257.43	23840803.33	25915954.25	22691622.25	16940927.03	16161236.03	17060997.31	18755373.8	29515490.56	14149964.25	24357546.86	16742580	18581587.19	14321536.62	15456972.5	21570353.85	21650833.68	21786443.46	20557121.24	16139714.66	15913960.08	14663689.2	27512137.37	19209171.55	13952047.92	16123108.09	20322039.57	18509632.35	16343508.12	17770230.17	18767029.63	18829816.51	18748281.36	14909567.14	19288177.53	22344009.24	27671085.5	21843697.36	18290192.75	21320918.93	30356561.97	24994799	20884188.04	18506127.53	19535948.15	13869358.07	24474022.88	20344310.82	22458472.1	18838091.19	16018011.67	22011925.84	20382970.8	17276302.19	23374822.44	24137282.54	18016335.52	21878396.46	23029995.33	20814994.14	30257653.42	22004043.22	23840090.15	16326245.46	18892842.67	20643497.22	19547182.96	26540150.26	22507984.23	20567740.46	25208876.7	17949207.26	19457707.91	20279075.54	25581994.71	21057708.52
C130	L-Aspartic acid-O-diglucoside	457.1432	C16H27NO14	Amino acids and derivatives	Amino acids and derivatives	-	3	91260.026	55683.432	622848.124	607187.4228	1131639.73	255951.9252	275473.714	65091.026	158426.124	933591.124	1130598.124	439381.124	679039.124	128836.026	125253.124	495572.124	214055.3855	184829.124	627494.4228	2598641.203	357516.9252	616606.9677	14462.8855	317462.9	435244.432	328353.124	93434.124	1137278.172	928038.0228	221626.1355	1343350.355	709528.2216	1161775.636	197692.124	71103.6252	377718.3228	974211.124	135428.1252	163817.9228	389464.7998	638937.639	564306.301	80703.9204	123879.6343	225728.301	1177462.801	1177781.264	356472.0204	172739.4677	210716.1402	1318643.917	507758.124	403963.4677	62165.294	159103.124	259260.8228	318261.1679	379189.4677	810050.294	542795.0258	389225.6228	234873.3925	376993.7929	259042.3115	103173.0216	183475.124	611249.6367	422179.04	347257.8228	176893.1054	65275.8216	176002.1228	322759.801	1025878.294	293523.6915	196136.172	43329.7228	729880.4216	268777.124	208407.264	479253.3228	200707.7775	590138.1204	87406.801	1362744.635	257479.7304	965157.321	201077.124	64564.8204	902855.6679	122518.1355	302839.6355	100204.124	24598.04288	88794.16788	832718.124	620119.5429	159180.4212	245045.9228	68375.0228	218646.8228	234927.124	398084.124	1251096.634	148671.6355	1070175.355	317942.6343	2691271.189	1096126.98	151656.124	143429.1679	33853.1228	675789.301	593539.294	580788.3228	357168.1343	439993.1228	1410278.23	233298.1343	434642.124	123899.124	579445.9677	92891.79288	80715.4216	257479.7304	2143753.105	757459.2228	1050840.134	399242.97	865723.301	2239303.968	299874.8228	704088.124	649251.124	326999.124	58221.5228	140395.6343	298673.9677	586327.6343	534752.3554	704120.8554	809981.801	801464.0216	440670.0228	121013.9303	647897.124	169935.124	97029.38317	133185.1054	572564.301	199693.6228	241067.1668	1468327.918	1611061.855	861879.4179	264992.0429	87436.294	212653.1343	865204.5204	331267.294	838884.801	1721855.294	649875.2216	129782.294	684315.6679	165857.801	132680.5228	1159640.168	106297.124	760804.6679	942912.1355	1024813.886	1506710.294	842021.2758	53969.294	159834.294	1301008.23	1160429.294	688376.1204	124911.0204	374944.9804	822927.6276	148067.1204	93600.301	549517.8216	1463547.355	1477206.105	800250.5498	267040.8554	66344.3228	262943.2304	131124.2918	697291.4804	303259.3228	222088.8621	610645.7067	379877.6343	877432.0871	835733.1204	243160.294	304216.1355	957821.6332	337211.301	79240.294	408408.9179	732218.9677	389451.9204	957127.2204	122545.124	1556426.855	477472.9826	550542.9677	311431.7929	513381.9677	2040629.543
C131	L-Aspartyl-L-Phenylalanine	280.1059	C13H16N2O5	Amino acids and derivatives	Amino acids and derivatives	13433-09-5	1	200078.9411	291741.8495	136792.1622	129621.2233	103058.5522	167575.3495	97754.44	97993.13333	109084.6633	152486.72	92211.55222	141638.72	131409.3897	131381.2744	91541.42842	292908.0533	99442.88556	100534.3333	164117.6667	144753.1678	60889.92	207329.3867	288086.72	141638.72	108036.5266	165343.9456	245297.3867	119942.72	163319.6633	137587.0966	171169.3867	123400.55	142936.3344	83165.1561	73896.66778	112700.33	131971.7178	157910.72	151515.6264	123568.1133	136262.1111	389598.6733	106062.0561	94478.77778	183495.4444	119317.5011	117587.0341	221246.5353	142817.7178	129601	165343.2264	127151.2733	165745.3867	148254.3856	138280.3567	170692.5067	212756.2267	109094.72	185466.0341	197194.69	145843.9411	172358.83	193450.2189	166072.0341	142241.3867	241713.5995	236838.2189	134996.9411	120835.3556	136935.5316	94630.72	109084.6633	160383.7511	98006.0403	68607.35	84988.05333	113045.1567	109022.1122	88557.6843	106599.6678	151609.1144	113211.2232	116702.6078	123581.5	92354.58	216397.5352	148870.72	111378.0381	160938.8878	92414.4	141638.72	161967.723	131665.0753	206888.1421	110023.6753	116337.4433	112700.33	94944.85	125378.2767	139396.2267	105205.7242	146625.5511	98976.21778	136374.9716	99804.1253	104866.3856	95242.16556	90239.88889	132659.5033	126560.3856	76069.6359	91896.887	101862.72	92315.17	118123.83	106684.0533	110289.8856	143687.052	140698.0244	204899.83	87036.0381	125866.7744	118429.9242	91989.1753	139405.2841	124752.5522	160617.4716	90998.3061	76382.66025	86453.09444	75325.755	86008.89	85207.94436	87212.11111	112680.755	89776.54933	118726.4411	132598.72	123547.33	236235.6078	98717.66667	90928.78889	94478.77778	75332.0061	107205.2789	118123.83	99442.88556	105450.755	78344.7561	120534.2744	133176.8061	135599.5522	154883.1078	164307.17	205502.4411	92814.16333	164540.0533	121739.4967	110892.4967	80761.94111	106407.9242	148608.18	118103.255	112680.755	136792.1622	88990.8264	115713.3856	122956.0533	159718.72	111185.865	132586.4967	128958.9561	102602.6343	138827.8489	133189.1078	143446.72	111444.5567	192262.72	81168.4753	153837.3344	110289.8856	90968.43111	150713.9756	127140.755	246457.2733	158513.3867	101406.7171	169948.3856	146693.8253	134394.33	129864.0233	97032.44111	124149.9411	83781.6083	122435.5341	102351	142830.8856	141712.1111	155034.3333	124633.5511	84782.4264	145345.4444	121739.4967	144638.7189	120534.2744	117848.4264	129573.4411	101710.9701	133305.228	158498.7744	159893.4456	93493.7682	142497.6264	124752.5522	165127.4967
C132	L-Citrulline	175.0957	C6H13N3O3	Amino acids and derivatives	Amino acids and derivatives	372-75-8	2	849473.4832	939904.1321	1065437.483	1482967.883	1073664.683	606582.8744	964654.2832	582131.9343	897465.4832	1042127.083	734292.6832	802794.1321	722004.5343	1266318.283	1017395.592	606533.7067	1000542.996	745656.3733	1194330.283	591456.3733	795996.6832	648775.2698	1703169.684	461423.8832	1037327.883	1020780.092	906709.7067	909347.0182	1042812.683	906651.7962	1046502.292	680130.2832	831248.0918	488162.2832	1308421.097	531147.04	921952.6918	1058087.743	883304.1407	715043.7321	904519.3365	1037702.592	844674.2832	817550.0944	1134836.088	789826.2832	692483.5918	798079.9918	540056.3733	1255029.088	589588.0821	923768.15	583460.6832	737720.6832	997173.7067	947744.8929	897406.3167	626193.6429	699795.7633	917675.04	1060717.192	1229237.491	812133.7067	889375.4517	898902.2343	881298.088	1242309.894	890947.04	610199.0832	597172.6832	802794.1321	625672.3167	1151053.532	773091.7929	838146.5182	616250.8804	835367.3167	992350.2918	587391.9856	668213.7067	591687.8832	944771.8832	282653.654	905692.6832	740517.0843	812294.8918	532333.6305	569571.8744	1079228.184	778799.8821	1100058.643	552608.6832	902597.7067	384001.0667	1407071.485	539371.04	661297.3407	710819.5978	734005.7067	994748.1321	775122.6429	483398.3343	616716.3429	609224.8918	681749.9887	1042519.589	492083.04	448397.4832	470302.3821	740543.4918	445480.3733	734005.7067	775811.04	938198.2918	559931.04	637623.0832	574026.0918	791310.9918	602657.4832	805525.8918	433144.3733	636937.4832	790511.8832	678073.4832	888850.2429	844013.088	669584.3733	490027.04	538773.0422	993219.68	749343.1918	522923.04	605163.04	720913.3918	832601.8918	845029.7067	942715.0832	686936.1821	570896.3733	1403801.791	813438.4278	974145.9429	645164.6832	483398.3343	745887.3539	704593.4856	1020780.092	669111.8821	747027.04	659315.4918	580443.9833	905707.0918	1021381.541	574026.0918	1081701.092	787307.7429	936864.3733	672226.2429	659992.3918	846724.7244	752803.8832	714144.3918	553763.04	577796.5411	967981.8918	520867.04	503591.2907	825155.9918	616039.3929	509216.3733	693211.6929	637748.894	1082242.763	514699.04	846816.7918	840724.6918	686717.7067	739615.088	839370.8918	1133145.492	718928.3733	693314.0951	717557.7067	933437.7067	851266.7078	845715.04	598995.04	777118.7056	695162.7821	611331.04	620732.1918	568108.9833	710019.04	821661.7611	582493.4833	684661.7067	605848.3733	714410.2832	1450611.592	742574.0343	738803.04	829199.8167	507804.5389	1066132.392	608540.3722	784484.0407	825771.8907	585576.6429	566099.04	754081.4918	699110.3744	653136.3733	963389.68	776419.1918	636112.1433
C133	L-Cyclopentylglycine	143.0946	C7H13NO2	Amino acids and derivatives	Amino acids and derivatives	2521-84-8	3	38601.9204	NA	NA	38894.778	38414.6125	20157.78	31949.778	39377.5896	39835.6205	67730.12836	35284.714	35702.119	40507.619	NA	42110.4204	40507.619	29034.16125	45244.40075	49836.2216	29412.60133	25217.60267	30221.1205	14431.122	19912.619	35447.78	40707.0204	60467.78	35551.182	65248.36222	54644.604	20599.119	21293.3705	40312.78	50212.81583	27802.78	44126.60267	62447.53	30221.1205	26100.6205	20157.78	49162.4264	29866.278	50118.619	36401.8705	20143.278	36422.936	30896.619	26091.119	26269.66125	30067.9884	NA	NA	NA	67381.2216	43956.1205	35022.26933	33654.8705	30588.0175	48614.55375	NA	41891.444	32219.5896	30896.619	32956.119	61649.604	28847.6205	22658.619	52334.06583	54618.60133	23632.78	44826.936	49794.6125	20852.78	31983.9	37485.49067	30672.182	66153.3625	NA	30896.619	46227.60267	73943.91	37088.6205	28837.119	28719.26933	89281.6205	88973.9	43849.99067	38533.104	32956.119	44816.268	32269.619	78442.936	52764.18	51427.49012	54401.7884	NA	91930.7325	73092.528	52530.60267	51841.28625	33642.619	31583.119	55658.30375	45964.898	36837.78	NA	45177.78	64742.23875	34341.6205	40308.898	33690.0204	71536.278	33654.8705	29866.278	42715.768	14587.278	36388.619	50913.898	28457.1125	48663.9	25004.778	NA	41672.778	31949.778	53533.17889	22242.78	29192.78	28719.26933	NA	20633.3625	26091.119	39835.6205	46227.60267	35722.60267	45527.1125	23353.6205	40624.936	22393.214	42234.8884	103874.7594	39924.60267	36636.92763	62998.9896	58833.60267	48251.6355	41007.78	31949.778	28150.619	40712.8216	31949.778	46227.60267	31972.78	27474.1205	40522.3705	45329.6205	56032.26933	21293.3705	57283.64917	27464.119	53350.8625	NA	34855.5175	42624.22057	40555.48875	69709.6125	43141.9825	51831.91	36629.91	33621.60267	33621.60267	46327.2216	23071.714	51129.936	26777.619	30787.9896	49318.92875	38414.6125	36992.1125	43756.278	45527.26933	48372.1125	82314.0884	43940.119	37075.119	40313.64917	61124.8705	NA	49794.6125	54409.3896	66577.9896	NA	48425.7204	43666.2884	39617.78	33432.5325	50505.8625	41315.43467	56152.4216	53686.0884	43141.9825	30119.936	33621.60267	45813.3884	70892.78	34396.6216	56831.02889	37088.6205	19226.119	64436.26933	29419.60267	27782.778	28160.8705	19226.119	NA	65150.08436
C134	L-Glutamic acid	147.0532	C5H9NO4	Amino acids and derivatives	Amino acids and derivatives	56-86-0	1	8250641.938	8428962.687	7782284.905	9379029.17	7959565.776	7384557.975	7522809.574	10928757.53	7906309.319	6003592.532	10126725.11	7201281.922	6312204.624	9013628.514	7534397.092	10094373.88	7713600.406	13086640.56	6316166.499	5753231.459	6947390.956	5139331.79	4451045.049	4416424.966	14594497.3	10298883.2	12347203.78	8532995.42	8669708.996	6560909.717	4681173.393	10732812.15	8286670.17	15982313.92	11858008.08	9524722.259	7073915.921	8099781.336	10685246.05	13046908.82	8793181.935	6984519.643	12968454.54	12171062.51	8367423.68	8893402.191	12722394.53	8642343.016	12788961.94	9453495.253	7903812.91	17669035.89	10757964.02	17911051.47	13057081.18	9111266.736	13091282.11	14258420.3	14327915.32	9327930.2	15957850.04	11635688.23	14415054.8	9463227.572	10726706.2	9481856.359	4832663.472	11502847.15	16029250.99	18535412.41	13657987.79	9792771.886	3911883.08	5950684.599	6034102.741	8732129.521	8527062.508	8497350.78	12011576.43	10691123.84	15196949.69	9015765.922	7991859.943	10191684.41	11213178.83	14485179.52	10393212.23	15755812.04	8005089.296	11674641.36	7113569.696	15192386.71	12017805.79	5892718.813	8660921.788	9264709.957	15322201.78	18036574.13	16263824.88	9950465.265	11364523.24	10469165.2	13622492.19	8956542.682	7204761.58	8683738.608	13949293.14	7624116.076	5348110.897	5817132.269	14785946.43	11375188.88	10463800	7678018.06	11735628.22	11072376.09	9194532.355	8705837.782	8883008.601	7363676.879	13875622.24	4283521.3	7485102.891	13833474.49	8389862.699	6633989.869	7079672.199	8640228.948	9564290.016	8849522.378	9081221.637	14019477.7	9782692.863	7999042.764	8183630.567	14157515.64	7114298.939	4658154.396	8428539.598	5902432.626	10116678.07	6097162.111	9048324.842	9033807.406	9432586.074	8600303.279	12072178.68	8967834.677	9541391.248	14416067.99	13744700.21	11508709.53	5463871.336	13361858.06	7016580.571	12940506.81	13163709.99	8126411.549	10230410.49	11819037.44	8375548.717	5896014.536	8011225.51	15788339.86	6279868.139	17751121.3	10536002.62	9374531.557	6875722.838	9982882.183	10066455.38	10455300.86	11642043.36	8051450.369	10824732.27	6256158.415	8775973.519	8218477.203	12000208.5	7644879.967	16267948.64	14525057.77	13128608.78	11443742.31	12417607.24	14037229.47	16589558.4	12799546.09	13195803.87	18063276.91	11907602.85	13557308.41	12604103	13780729.38	16453287.06	14927283.67	19875211.54	7656397.224	9363209.58	10369985.14	14186345.56	13407573.49	24633783.14	14936354.25	21857945.91	14678456.99	15376489.07	17808428.41	32063470.52	12042673.58	16311358.71	14976578.61	12627221.1	11746300.41	8961581.24
C135	L-Glutamine	146.0691	C5H10N2O3	Amino acids and derivatives	Amino acids and derivatives	56-85-9	1	1577211.95	1484266.68	3497261.964	3361217.318	4994384.518	3428788.089	4619465.917	1119051.384	5945195.664	3656418.972	2533793.314	5104113.609	3517446.065	4593161.847	5196547.18	2651223.74	4508336.367	3375779.992	6559482.861	5076881.241	3891874.246	7112613.357	6764362.501	1067787.968	3681800.131	5579722.881	2641980.003	8752039.816	4992503.827	6917316.618	3993206.03	2819030.038	6378298.364	2010084.89	7849981.672	5107465.25	13889614.07	9901335.026	8089019.107	8700592.605	3328644.387	3224742.393	5593718.438	4896364.183	6295105.083	5287179.027	4598237.939	2287814.334	3369553.001	3773048.34	1841587.125	5777891.847	2223019.004	1455140.876	1890868.945	5703580.19	3884604.581	4184921.68	1776068.546	2005304.526	4171060.738	2142726.135	3448083.964	7998741.721	4034756.44	4698805.83	4719581.507	6830525.625	2157709.615	2114210.432	3337746.568	1968701.218	5440546.341	3853564.233	5277328.952	4686948.669	3646323.285	8225548.981	2215816.932	3077656.404	3136266.965	3592029.809	9231680.238	4350965.762	3772238.536	6557756.244	4357779.556	3001683.754	2758435.931	2726503.597	5512969.211	945633.995	5540752.302	1361129.15	3369780.324	2208970.972	1944388.169	3108303.787	3698454.01	2008885.454	6993257.47	2379378.317	4875084.938	5913042.33	1732051.278	7297893.963	3159841.772	1829722.597	2410295.593	4565545.908	1345857.708	2827688.754	5044571.705	5015954.589	2611313.644	1818361.842	4275659.275	2358829.66	2042570.89	6540963.607	1362803.792	2686833.691	3048495.762	2212935.404	8835500.775	2476160.423	2187449.268	2068904.465	2617181.61	3034848.942	3302144.829	871836.126	NA	2685976.926	3646698.41	2528361.307	3651663.954	2449130.897	4470481.296	12030284.89	4007405.801	2908648.798	4058297.642	3449562.028	6747473.706	3191990.494	4759903.168	2752926.991	860829.865	6242128.532	2265969.729	6192044.13	19503885.59	2769766.129	13781326.13	5452116.903	6697868.212	11455421.59	6756926.713	4921410.648	1478338.68	3484891.506	4360769.491	785867.3165	4319513.051	3275210.935	3403793.293	7358860.352	4811681.19	1790642.347	1874133.17	2530672.824	3294247.437	1761881.853	2371263.245	2352557.792	2758171.325	3708264.723	2544889.446	5203266.731	2785372.282	2429177.062	3511075.425	4765798.122	2796672.129	3817349.91	1661767.056	2475343.29	2017412.306	1764759.884	2079350.004	1474795.987	3323365.79	3784620.437	6586746.374	2782018.534	2005930.425	4900632.854	8668074.316	3705556.417	1537775.108	3322022.942	1027086.711	4567872.322	1796918.071	3481741.423	3798181.456	1885799.214	822277.813	7606011.136	4011341.994	5614842.649	4495447.428	7482125.248	3143349.556
C136	L-Glutaminyl-L-valyl-L-valyl-L-cysteine	447.2152	C18H33N5O6S	Amino acids and derivatives	Amino acids and derivatives	-	3	44335.115	316331.917	411393.917	635325.9548	330420.846	178292.718	38714.049	326985.417	211472.52	534318.917	527834.846	216656.846	248237.6655	374979.348	81954.917	369445.02	449910.417	443354.417	158101.846	337189.2425	166200.6815	311737.7915	423686.417	247413.3533	439739.344	205699.417	259473.348	45174.346	56007.52	410067.472	87835.846	153827.344	303127.4155	363043.417	373019.472	28226.5588	92018.346	158938.346	243249.2425	445440.5897	404550.02	68789.2425	556616.718	398361.9588	373696.917	130305.417	325346.417	544972.417	218744.6655	743267.718	439042.615	269395.115	168750.6135	224801.0187	23425.346	314485.3635	212967.8005	190948.417	183196.846	180740.23	244879.866	143225.115	108210.4925	170505.115	439655.02	202989.2425	83653.346	185850.115	163218.348	372468.348	552496.0382	259533.387	340913.8005	435189.8005	606465.846	445384.387	379433.417	231883.8025	154887.0505	258046.948	88388.8005	79750.12	113680.7285	84489.846	36445.89	247418.4155	253659.583	235695.0505	207954.1135	154011.348	32400.115	248935.115	249787.615	271209.5535	452102.352	89357.17371	245525.115	233184.2425	236078.3635	216569.7285	328834.0405	133001.5505	229905.12	158196.348	176332.352	170751.348	64601.91033	332620.4155	17800.89	162027.6165	305117.4663	58928.45	351056.6867	157412.3005	50193.346	261428.4588	139277.4155	485305.064	114240.115	242374.2048	242677.788	240745.5505	197785.115	218329.846	142208.346	68331.956	117976.9155	440838.846	166574.718	340255.344	266261.1655	547263.9155	365501.917	222512.346	79020.448	501424.6358	143183.1135	338866.7425	169602.8635	206310.115	294115.6655	152431.917	251542.352	458085.948	62205.16114	421182.6853	762510.348	113095.917	225367.417	577620.3588	183716.2437	176504.846	70216.68667	254289.052	180735.115	283804.3635	257665.472	113006.718	271226.7192	376892.352	269951.5263	44836.5905	270927.9925	177016.917	268897.5588	221675.846	14439.208	43470.02	231033.4155	290417.4785	28444.346	154023.9155	262631.0505	93691.346	59557.07467	193122.688	383123.472	1703435.02	138359.956	450420.4925	509029.1867	226695.175	20492.417	333669.96	204687.077	454849.96	186214.2425	361571.1165	1118485.115	311167.615	357178.2048	243199.96	300937.615	238556.718	223129.6853	238216.7425	361465.115	94799.91033	255322.1358	256264.96	370776.9327	255755.115	190029.6358	163685.115	23875.115	238405.846	259095.9315	305200.115	221938.5036	67239.96	159894.6358	55491.16343	326160.6588	171297.4303	278557.846
C137	L-Glycyl-L-isoleucine*	188.1161	C8H16N2O3	Amino acids and derivatives	Amino acids and derivatives	19461-38-2	1	309234.0238	449327.6848	122068.8547	131508.0819	70049.27	222966.653	125248.6796	98605.717	141123.014	150011.2736	199208.448	218460.48	153194.385	99732.80227	127594.171	891087.2523	69275.682	161000.6224	NA	134849.1032	69860	292090.1302	266629.6464	232428.254	67463.80978	89099.01	511194.0405	155225.915	186854.3679	180052.3175	253175.7904	241933.7115	173170.9796	127259.1447	68372.94545	137650.2182	115320.625	119475.1816	177361.3267	72512.46591	161046.105	377901.8893	86118.84145	156573.0118	209400.0722	87098.942	104049.1886	311315.928	282173.1636	104336.334	263791.1218	119114.515	225424.0462	308686.59	187947.256	205471.2107	260559.2298	153448.0675	423546.3801	175335.7389	127964.686	285833.6841	335115.5622	141484	187734.165	575909.6998	168223.8012	165098.1345	147600.9221	108996.525	115313.6656	187974.8834	137271.1875	101170.377	63964.978	72898.22222	69900.3335	NA	88894.96327	74289.908	144403.4536	115716.01	NA	113325.1695	106581.7233	192437.8746	108633.6117	122292.4219	149833.9542	109315.702	88041.75287	145014.3685	151881.27	169000.587	95607.435	97711.62418	119393.736	88200.2275	146781.7605	NA	99444.6246	118373.0158	77535.46867	NA	NA	63648.52812	91782.3348	121323.1695	147164.1139	174374.431	94154.263	123057.846	74957.46589	NA	130664	85528.5062	110351.43	NA	173771.6558	114746.827	111953.1269	144890.9176	144603.1454	81792.445	106002.336	117128.2088	177753.84	87374.6523	91119.721	73229.597	82460.2004	154348.0978	115538.9276	111094.7887	NA	109134.3502	153490.5146	199434.2462	157940.6137	NA	105339.0492	121316.3028	155675.5373	92513.58073	NA	129953.25	102349.6776	113163.639	155235.0749	130838.8235	87956.827	103581.1992	125774.3222	135112.5825	46997.6325	96613.74655	NA	130829.2547	126798.287	94317.27327	114110.4318	109629.3752	81913.07733	108941.0376	98958.62773	91242.28782	103873.1232	89457.27909	262244.5768	NA	126819.1193	146430.568	138336.9142	130501.0375	126497.8317	247631.2815	85309.51736	355189.5927	84990.18712	131223.2348	133305.254	95153.28082	270984.875	159238.9142	263915.4466	109342.5376	120516.55	250115.0522	136400.545	172579.5225	134202.573	149594.3069	123422.0693	94696	NA	72941.2915	145758.1217	NA	113559.5832	NA	108505.9773	159263.6652	188601.9133	136162.25	152382.153	125015.0678	101051.9427	111487.5805	171494.7207	111902.8599	219360.525	153389.0834	164951.4384	121590.3113	208029.1379
C138	L-Glycyl-L-phenylalanine	222.1005	C11H14N2O3	Amino acids and derivatives	Amino acids and derivatives	721-66-4	1	222220.8979	354356.0708	105791.0533	79127.44463	73703.95889	259749.1958	95200.94688	80254.8784	92886.94463	197609.0595	101652.5865	102036.4784	124419.1321	68837.74857	73022.38667	669066.0071	51250.79222	129549.0144	119100.3326	99955.15444	48741.88213	301936.5295	418688.1367	169674.0784	63231.6	90603.57075	460558.8365	144131.3979	189797.4458	143713.4716	254994.9039	178406.1022	142214.9033	95814.98589	45934.89943	96407.65556	184711.8531	119728.1231	146220.9457	49970.0865	98207.0865	370850.2967	45599.6451	129975.344	235410.5595	63253.47388	97334.16	436359.0586	234013.8878	95786.3929	140127.3365	120032.121	202720.5865	225193.7111	170633.0067	183490.3208	204136.1022	87403.05444	364478.0651	120913.1811	102532.5595	245188.3979	270069.9457	122285.2791	211088.6853	542833.0104	169655.3163	177094.3878	114344.7667	73010.26563	101497.6958	139537.8979	123078.2222	58888.36057	82103.51175	65903.56	68370.37778	70068.8365	84367.11111	92702.79222	130343.7177	70698.01112	69977.323	87181.176	58500.94687	143306.8784	85536.332	136488.4469	131872.1946	87709.0929	98863.71667	75006.66	98770.58537	167472.323	166895.3828	72828.94575	76959.8365	65969.89143	87612.58971	90049.823	79596.58971	67454.57371	76850.94687	70106.96712	165397.8561	59087.03429	147224.7203	85573.5865	116574.6874	151432.0343	43827.5292	76850.94688	72279.17714	88420.05667	140999.0663	96773.73257	109602.252	102793.5446	120738.1644	138485.0126	78895.86057	109778.2903	116570.3979	95678.5527	100762.9033	159226.0117	177756.5707	126452.5816	78682.5865	48598.78914	62124.63086	98460.01444	178659.3353	107804.8208	95494.77486	105959.8646	130393.4638	130152.2571	105638.328	140732.2138	84696.86971	94617.19575	110086.3196	59465.79037	70373.8815	75904.16556	75579.16	85678.22111	109861.488	91456.91657	88444.8365	91087.49813	106493.015	115768.9401	127678.95	60701.73257	95616.66	113366.45	107231.4458	51687.21037	75237.0865	107710.8117	94742.75771	97673.043	61816.01371	78562.69575	106622.0784	94844.98327	273055.6467	81044.7336	119780.3776	139898.5696	74565.323	79136.07075	112670.8611	257178.8087	80759.24587	304049.43	82576.32075	94002.81625	89019.0865	68249.38437	234614.2121	158315.0843	240254.4458	78417.67933	67564.16	192943.95	142408.8354	93857.0115	114919.4779	116583.0865	99064.01829	78885.45889	77415.94575	60781.44462	80882.74857	109783.4389	89009.39788	77424.38437	80612.62556	92058.71222	128068.0865	133794.024	110266.3365	99355.5865	55824.08145	53553.68111	97452.19237	127230.9267	143942.07	139264.5026	100924.3207	103061.45	161454.16
C139	L-Histidine	155.0695	C6H9N3O2	Amino acids and derivatives	Amino acids and derivatives	71-00-1	1	38474920.14	37563088.43	NA	82444404.54	37613800.87	37611452.55	NA	24911286.75	40900708.13	51837745.66	44902688.41	NA	34251128.06	51824285.59	NA	30939560.76	NA	47673113.5	NA	NA	34004971.16	NA	71187155.21	34189545.86	27252294.22	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	31428417.5	NA	NA	NA	NA	NA	NA	38351384.48	32425451.1	NA	45421167.68	36300497.03	28535343.54	19402961.29	45099816.42	NA	25717273.6	NA	36700684.39	31479456.58	NA	NA	NA	23470433.04	41910003.19	NA	48309331.56	31980998.6	NA	35319058.95	NA	NA	NA	25764824.14	42375865.05	NA	NA	NA	NA	NA	NA	NA	NA	23351441.76	NA	23514017.09	39505460.35	NA	NA	35618243.2	NA	33810875.02	21175491.25	48194763.1	30055702.71	NA	32522608.97	NA	65434329.67	NA	29695718	46173977.67	37441223.85	NA	46680404.78	49171613.36	36080594	29827491.57	NA	41226227.93	NA	37514084.46	NA	22982495.77	NA	21414239.78	39486208.78	40735448.81	46880704.21	21882120.44	35767926.35	NA	NA	45363640.89	NA	27619915.3	NA	53138510.35	28080074.14	NA	NA	34429373.03	24808674.32	NA	NA	38150001.15	NA	NA	36022266.56	NA	27055915.84	NA	NA	NA	NA	35895239.95	39739229.06	28462080.97	NA	NA	35320801.32	NA	31549181.15	30296015.11	48607188.17	29790331.3	NA	NA	NA	NA	NA	NA	NA	32713193.29	NA	25564343.42	NA	NA	23624815.67	NA	22181164.47	36887150.07	32547559.66	NA	33953320.11	NA	NA	35613260.06	23371142.26	44597411	NA	NA	NA	NA	NA	32461164.32	37001358.13	25779011.7	NA	NA	30202003.15	24489935.02	38488681.06	37499312.44	27400939.03	37963968.71	31740273.59	21211491.82	34776759.41	37769528.46	NA	22608065.88	NA	NA	NA	27410729.39	31637881.05	15078001.5	26955575.8	23277816.09	NA	30142577.23	NA	25024227.72	NA	29796993.62	33461389.35	NA	NA	NA
C140	L-Homocitrulline	189.1113	C7H15N3O3	Amino acids and derivatives	Amino acids and derivatives	1190-49-4	3	111358.6027	75062.78	144908.3705	53918.43467	81944.60267	121892.604	72773.119	54257.3705	241862.78	98246.4204	77742.60267	159327.1125	208013.619	104177.778	146228.619	102788.778	114677.78	117192.3204	109489.2216	166823.619	88562.619	119456.778	89137.0216	42367.278	68638.26933	127006.619	137971.2693	165193.182	104330.4347	195727.8705	65836.936	81103.86375	133801.104	80002.2204	414701.604	170886.936	161126.778	145009.104	111257.6205	240219.936	141852.8264	110877.0204	157899.119	176498.8705	70027.119	102254.2693	52864.619	32269.619	87019.2204	198852.9347	68284.2675	355774.936	116260.936	134754.0216	102167.78	119062.2693	149395.8637	155106.2216	68775.0204	37761.619	103665.619	73735.9896	120919.6125	112982.1204	243297.3638	66816.52575	57670.119	327239.6138	52864.619	130267.6027	133068.936	124911.0204	64436.26933	83510.7204	64397.862	70121.862	84212.4204	128897.604	60234.26933	301148.936	427807.4347	143573.936	94741.119	143534.8705	85847.8705	227104.278	158574.675	88268.604	114159.936	71830.73625	90982.278	125630.6216	146228.619	59752.1125	81244.26933	53551.119	79843.60267	129878.424	81244.26933	79667.1205	105030.6013	117373.278	152902.78	153780.119	52127.78	98052.26933	136570.6027	69338.60267	37088.6205	81405.6204	86503.119	133185.119	150193.6216	65980.278	70722.43467	87019.2204	85130.119	65980.278	70052.6205	100010.778	85816.619	61056.3204	109489.2216	98209.3705	130486.6205	48328.60267	74941.26933	65968.2204	124664.936	70739.26933	70295.90075	115968.1896	66153.3625	76233.3705	82644.936	69338.60267	99696.898	49134.4216	197029.619	196799.2693	86317.5204	63161.4204	292744.936	120932.78	193757.616	140772.6027	106456.2693	91727.43467	62608.11375	175047.268	139414.3705	111257.6205	189910.8625	126314.4204	206305.8638	188791.619	164583.936	136570.6027	140291.778	88947.936	61811.6205	44923.6216	160703.6205	89281.6205	87547.26933	123264.2693	115336.119	147075.6027	138013.8638	64535.119	74399.2216	65275.8216	117209.0216	64564.8204	86846.936	56032.26933	104560.8625	107137.1205	86120.778	118074.6125	117373.278	111594.6216	103860.0204	159958.619	143573.936	156880.2693	98028.93467	84045.60267	118806.7387	110270.2387	50006.778	76920.1205	85615.8204	229029.6125	175837.78	78955.8625	55318.768	129113.1205	67937.936	100269.6205	75101.0216	109957.936	80166.9884	416003.6027	78969.73875	123264.2693	132629.7204	70178.4204	115560.6027	148476.2693	144855.619	135144.6125	59040.8625	140739.1013	50006.778
C141	L-Homomethionine	163.0667	C6H13NO2S	Amino acids and derivatives	Amino acids and derivatives	25148-30-5	3	41731.31733	16341.5475	NA	NA	NA	31784.8575	75426.416	25659.38229	33539.38033	NA	NA	120455.7088	NA	215467.9813	39521.52475	NA	NA	15050.462	94305.708	25573.58687	NA	70141.7318	NA	7841.76	NA	75026.18133	73851.4608	58109.62444	53709.6	100679.3532	113806.5256	NA	NA	22333.88588	32153.27	17375.1625	NA	30905.55578	NA	29744.59275	36676.92525	23203.27	NA	12817.493	70933.7048	NA	NA	11394.922	NA	65042.6436	46794.35	26397.1575	49731.80973	24750.32875	13064.26	NA	NA	30117.13	28459.5675	48147.408	22006.351	NA	NA	29852.79	NA	NA	145835.278	60235.9772	43131.7	44958.9056	20131.647	35323.6493	NA	45977.0901	133931.6331	NA	NA	NA	NA	6605.806	38538.9472	68635.416	NA	42324.713	34128.9144	105006.1432	NA	43597.70063	39883.67789	93258.59782	36299.69889	39790.0656	59840.6676	NA	93911.7522	26487.786	28454.225	28499.40911	42804.4484	67398.44	98226.192	48173.769	NA	NA	NA	40549.341	NA	25686.95222	NA	NA	9305.839667	35313.856	NA	28879.27286	NA	53764.4	NA	94427.40909	25570.76962	NA	23005.97489	50154.064	142868.0732	NA	136218.7683	32502.725	NA	25672.2205	NA	NA	NA	NA	30381.79733	NA	66575.8226	23332.4455	80835.398	66222.7589	NA	121599.0488	NA	66976.0791	NA	NA	NA	NA	NA	20818.446	NA	NA	NA	NA	21718.785	42528.33889	189232.3136	55488.2376	NA	76789.8171	13206.304	56273.4046	51124.9032	99062.9612	NA	NA	108139.0614	NA	NA	54440.34267	35313.856	21450.5415	NA	NA	NA	NA	NA	38388.698	60986.44267	132035.0591	NA	NA	NA	NA	48073.8285	21217.312	13908.288	NA	NA	21852.38475	86686.4264	32109.0924	123230.9988	22474.37	NA	37482.02775	21611.6	NA	NA	44246.406	NA	NA	NA	36515.71167	NA	25766.8754	NA	NA	NA	25176.9252	27310.33314	72977.49767	61876.075	107781.4332	NA	28543.5192	43396.21433
C142	L-Homoserine	119.0582	C4H9NO3	Amino acids and derivatives	Amino acids and derivatives	672-15-1	2	679456.11	400651.8008	636837.1636	685108.76	1113295.48	835549.9152	678775.461	398939.1	751048.1132	896243.5564	983906.7433	990242.47	871289.6719	521364.5325	843959.9835	757936.42	1089696.06	885140.4743	1606890.04	1144963.523	1055389.037	1098031.418	708477.0615	474087.955	1341209.61	1161844.01	843829.0075	750545.0176	577599.0125	1159341.981	1542157.74	864409.375	860498.2393	794347.47	669496.3538	947415.66	2270566.036	1006833.846	1100397.272	989819.1014	696421.022	819034.048	857828.25	1026309.28	871218.64	935955.11	1400552.88	1571150.36	1350052.556	674012.4517	1284232.547	898261.9978	839611.99	1048391.555	1105877.05	1546875.4	1337086.098	886750.9375	1012591.415	840943.5463	1269063.05	887225.8217	1161323.856	1462863.383	1105965.449	931908.82	994419.7821	1584638.92	875282.968	927525.0475	799921.9608	1336385.116	666962.8384	797844.7785	1080584.556	1245779.451	1185447.6	892124.24	1497098.233	805916.7592	915754.476	1076969.122	1119480.432	849035.3831	915798.2494	1000686.02	974431.7158	1309642.78	809920.4367	915650.4607	979546.7648	925466.0208	1266365.06	556993.85	1489602.719	725230.532	890029.2489	1313428.56	1488211.84	942621.2546	1104531.53	903525.1624	1188237.785	1478652.753	1161729.557	1030356.96	832109.6	1028581.952	970660.2114	1426848.9	917813.26	766597.4262	1001361.56	759284.72	1097115.88	706687.12	704666.06	1106696.91	927525.0475	1349464.332	672648.2166	1294975.342	1097200.028	785219.783	2166739.777	588746.502	989898.23	903584.79	807561.704	847011.3813	1112622.72	622924.8608	726432.602	774118.8	875940.47	937482.4272	1584636.14	1284795.828	1136222.14	1445768.123	1442358.52	1113969.63	857060.1	1058762.837	752527.4034	855105.9983	534065.8	628340.594	786200.3017	913027.06	882362.6145	1001954.221	1142270.551	778778.3726	1506205.806	1312891.14	973119.4811	2277153.6	1092392.66	1259620.78	1019567.78	972366.16	915568.675	673692.03	1052129.504	736806.2883	977082.43	1053283.62	962401.88	869197.58	746582.2632	957685.1627	695280.7536	751496.7925	1009533.442	1848591.938	1021590.23	889333.6977	794341.366	1034400.47	799140.482	1161452.489	1485513.85	1008105.84	899613.1858	1054439.435	917811.846	1473259.984	1080170.219	867152.8583	947992.262	1165440.01	1297830.002	1209624.47	1516555.04	1389744.244	1379458.808	1313981.176	1260787.444	985930.7451	996127.6867	1304124.41	832068.3	1016600.812	1039348.862	1527996.42	1677558.362	874598.592	921141.2376	1147686.86	777283.9808	1019567.78	970571.549	1284567.11	1385043.26
C143	L-Isoleucine*	131.0946	C6H13NO2	Amino acids and derivatives	Amino acids and derivatives	73-32-5	1	1703224.18	1276005.227	5063636.22	4228704.508	5071238.715	3784387.248	3699102.267	768209.5954	4893374.858	4617418.96	3964705.251	5718732.095	4211600.284	4222834.424	4319333.101	2604215.4	4804898.401	3814190.167	6529598.79	5238438.722	3558175.483	5855525.165	5942732.248	3399519.312	4045996.793	5470023.831	4257828.063	4122889.557	4838598.193	5914961.436	5081794.782	4501509.317	4969386.622	2771924.422	3486398.337	3985712.683	6613829.484	5750759.065	5949287.06	5570671.371	4842227.334	4271051.729	4455152.997	3854924.519	4640630.086	4978182.213	3763301.57	2764517.054	2393027.406	4176921.471	4137349.873	4337466.819	3443469.154	2048986.955	2415459.76	5961503.806	5454502.991	3846866.774	2221191.102	2780743.661	4162191.528	4130525.52	5248789.385	6086537.045	5189130.316	4727503.476	5527989.443	6020563.186	1992085.172	3159423.956	2902915.464	4191096.412	4596179.192	3169941.252	3990835.892	4468102.952	5433555.756	5127952.951	3259257.395	3869266.961	4529066.726	5395474.963	4980771.796	4973093.481	3013393.474	5414449.429	5444394.054	2765214.023	4810837.576	3058793.897	5572458.449	2972645.304	4521679.888	4241300.996	6312849.769	3165309.18	2576726.889	3572202.012	3701093.936	5146867.294	5595334.085	3600294.884	4567930.129	5793636.978	3466388.744	5050485.048	4036405.426	2989099.16	2089013.1	6059144.975	2655383.462	3056117.08	4825634.041	5139117.697	2834874.907	3475914.948	3476776.736	5108706.545	3495627.357	5382178.74	2035138.4	5293530.677	4616454.141	2329246.52	7037101.372	3084045.054	2885975.075	1787579.832	3191045.581	3427818.091	3792538.577	1342918.696	1800615.122	3410765.688	3672687.779	2923321.004	5183131.609	3195843.911	3855688.396	6618910.96	3702973.593	5196572.931	3012995.896	3181878.263	4439888.334	4357356.536	3954509.156	2850635.906	1749165.03	5066852.448	2442268.973	3419952.97	5130338.048	4118684.095	6328538.555	4339543.291	6070842.648	5577312.972	4459066.104	5876509.42	3282816.696	4593182.587	5436233.803	1778918.981	6049146.81	2075210.641	4423412.815	5543419.877	5039285.146	3801082.475	2858342.306	4051443.291	4247617.671	1992661.759	3036857.161	4560472.04	4105882.599	4864939.206	3113694.024	5769634.23	4345894.181	4747905.85	3746584.926	5766725.782	4119740.576	4405902.518	1562817.467	4435495.965	3098770.829	2222818.369	3581688.584	2933390.918	3528363.15	4650502.388	5511163.819	3695631.221	2315837.675	6278155.768	6453751.923	5163914.37	3878326.746	3885205.476	1394487.835	4427775.352	3651439.005	4855864.2	5547257.456	2953748.261	1956801.324	5391383.228	4668786.809	4699820.984	4209050.454	5552299.493	3232848.521
C144	L-Leucine*	131.0946	C6H13NO2	Amino acids and derivatives	Amino acids and derivatives	61-90-5	1	1889795.505	1216837.237	4538362.462	4025263.417	4873333.179	3637021.405	3769490.56	583922.371	4182238.222	4462001.192	3675375.472	5432482.462	3793296.496	3871303.67	4061138.356	2380971.92	4505233.247	3541068.951	6180573.273	4925923.302	3390312.288	5557658.5	5753159.54	3391105.421	3797240.068	5208847.51	4235504.898	3845890.275	4536422.748	5183746.08	4771228.913	4240164.498	4801699.718	2703988.134	3174260.832	3690482.708	5821803.68	5739239.084	5675858.547	5288369.11	4816361.018	4094813.299	4334533.867	3868538.479	4231453.677	4657169.572	3658730.288	2904125.224	2224666.444	3881694.94	4370708.779	4071113.862	3242666.747	2132418.646	2226559.566	5599585.576	5160275.047	3539226.186	2350969.746	2507463.424	4013377.676	4016726.692	5101138.913	5756439.267	4243089.058	4217647.132	5415881.861	5591789.292	1908452.568	3023686.875	2886386.957	3969687.556	4369350.656	3032208.873	3761462.29	3902781.252	5002382.71	4809849.485	3091907.83	3698273.025	4471999.993	4527153.188	4614271.068	4724440.769	3031855.745	5049010.769	5121925.534	2788945.594	4262373.009	2970046.515	5150369.608	2921725.729	4209809.252	3842907.112	5800515.301	3018386.36	2318122.567	3364815.589	3881398.738	4855132.187	5374932.122	3166590.237	4082084.784	5442991.435	3237145.104	4643336.28	3792307.102	2974206.289	1969112.794	5904378.581	2530695.691	2992862.395	4451404.056	4864390.132	2585403.886	3250137.264	3771984.348	4759564.425	3329105.623	5012660.748	1989742.924	5152739.375	4308926.19	2238090.033	6516147.919	2860569.527	2774426.871	1622649.605	3128557.73	3271720.37	3612495.524	1313086.067	1620716.428	3153001.795	3502521.56	2766283.386	4893392.917	3155762.616	3723685.092	6032882.066	3488752.663	5005431.647	2950343.201	3020172.599	4150902.318	4145439.859	3781908.344	2845315.934	1572713.01	4564746.309	2064597.037	3312275.077	4869809.516	3748156.374	6112491.738	4031659.053	5472514.599	5372509.692	4709223.112	5386144.821	3157590.517	4621146.244	5084130.534	1799832.279	5772399.414	1771076.641	4224625.66	5159690.985	4701040.498	3433480.983	2738265.602	3750834.813	3775000.46	1812182.749	2917811.772	4640074.675	4362405.173	4706237.607	3129994.168	5707672.581	4236454.47	4782045.583	3463002.334	5399376.885	4040737.628	4051322.844	1418484.515	4245294.108	3100218.583	2189753.98	3251736.047	2794627.357	3340813.298	4450743.157	4945842.253	3182426.773	2307134.721	5795909.587	6048781.406	5026275.191	4018967.632	3351686.6	1377346.931	4095556.476	3438737.157	4802591.772	5196336.995	2866818.346	1838276.187	5377067.564	4154477.224	4450156.578	4066549.609	5100535.43	2926846.422
C145	L-Leucyl-L-Leucine	244.1787	C12H24N2O3	Amino acids and derivatives	Amino acids and derivatives	3303-31-9	1	133761.2453	269477.376	75243.96	98330.244	40248.7085	269477.376	63507.969	98306.7085	108862.7085	203378.676	156989.4988	171090.744	87090.9585	96746.52883	36797.676	149767.2085	39858.553	101440.0053	NA	74076.744	24414.7085	165123.511	417756.0053	255365.376	61564.104	93688.4585	170842.672	144404.3738	134656.102	186191.3387	229829.376	156569.596	111450.0053	83121.3045	29438.676	107543.2085	100296.744	125205.744	163621.9585	NA	115454.0053	481347.6112	44716.672	90785.34	177761.9075	55722.744	104039.8024	521477.376	163683.96	85424.00533	157083.96	75387.744	188240.34	155045.2085	93109.912	169167.2453	136869.264	102303.96	145203.96	88882.535	163307.7467	220443.96	370121.8452	120123.96	131105.244	190148.5787	194082.5787	86553.24533	114062.244	80652.24533	104256.2453	77854.4585	139580.469	80918.76267	44207.2085	110784.744	84483.96	69303.96	73682.596	69937.4585	132741.385	67975.17867	27071.578	59403.96	NA	269841.7085	78188.256	163173.885	167580.4585	74095.57867	59894.604	96327.4585	144907.5787	249387.264	62043.96	93133.58	74667.6455	71393.894	72042.894	82883.885	88301.8955	77056.385	82236.385	50804.7085	77223.96	101175.0836	80493.4585	118790.672	103942.9293	87090.9585	90631.84533	31583.078	89763.96	84432.078	181503.96	91142.912	177645.744	142133.264	153123.96	110182.2085	74466.385	147359.9293	103600.5787	56103.96	213273.4024	54035.604	275525.376	98343.96	52124.2085	85523.596	73592.676	104776.672	114888.8747	95043.96	81812.9585	127653.708	73236.2085	139626.744	90389.7085	NA	50588.188	56103.96	79863.96	49485.2085	114839.053	115195.944	107507.244	111529.708	102042.3045	152406.2085	106223.2453	97683.96	NA	141429.9285	103574.244	102289.2453	93765.57867	100977.912	102924.9585	31250.604	62293.57867	162531.264	127631.595	95007.9585	51515.676	91142.912	132613.7085	54411.744	136349.244	107828.469	116684.244	150496.0413	62846.469	106883.4585	105540.744	173057.244	73236.2085	426735.744	102924.9585	102963.96	114091.2453	72385.264	177035.2453	81942.744	339281.208	88520.24533	83274.912	168468.744	141850.2085	104256.2453	81128.894	123239.244	82619.24533	89831.57867	93741.744	68194.57867	169167.2453	76534.9585	156669.744	101013.885	51392.102	101633.5787	72576.4585	46223.604	187596.9113	109473.744	86531.244	34400.894	99641.244	66638.7085	130683.96	110812.912	123894.744	71988.688	270726.744
C146	L-Leucyl-L-phenylalanine	278.1631	C15H22N2O3	Amino acids and derivatives	Amino acids and derivatives	56217-82-4	1	127789.8912	65316.082	116284.08	92039.424	85836.6164	131648.582	65673.98	74672.054	142966.2532	73663.054	134302.2164	127140.054	115886.0912	108815.7937	76504.08	108815.7938	70461.252	130170.1687	133305.7176	134922.0188	45769.54375	244791.092	282736.17	141931.252	96222.0135	110996.054	101940.3055	112099.9176	166878.0907	163464.054	144051.3938	96702.0435	90556.54875	121720.1425	96084.75733	152147.6425	149685.424	236798.0912	152159.6912	49563.424	132755.2532	100130.0907	98683.4225	90523.17	138895.4544	97642.17	64873.992	174997.592	118999.17	73681.3055	145423.3176	65490.6772	110968.5525	126969.6912	75582.0912	132492.7573	106167.132	118908.8912	87856.0164	75582.0912	237805.6912	70801.424	83178.6425	78905.092	174361.4936	138583.592	139549.0893	65506.0912	126969.6912	116916.8936	103008	99118.75733	125318.515	60678.1332	78008	176968.17	187680.054	91043.092	89966.8575	147442.9176	159418.3068	110133.0132	95805.70875	80928.092	58710.97	537062.8912	107686.1756	255815.5253	268099.76	73855.992	277707.1176	146311.054	183644.054	334749.0825	141594.7573	132492.7573	159798.7573	102169.592	116330.592	107176.11	145983.6653	160719.3575	154366.2276	105031.3176	124205.2164	121368.0907	102169.592	160241.8913	101830.7062	170569.3055	147579.6075	44769.7185	201572.0936	122343.132	220977.054	137086.4948	226801.17	276558.012	163817.0893	229214.0164	107162.8587	164527.3587	133305.7176	87664.59	207331.424	120356.7573	127259.5188	117822.6562	83404.17	109736.128	153486.5164	63573.054	117342.092	127436.0907	128136.4187	238301.3164	112908.096	178339.59	100130.0907	231886.17	121943.7924	82744.054	116965.17	92054.592	210503.2937	92857.0555	202981.9176	90016.75733	90523.17	222146.1164	153167.2912	150696.7573	124966.8924	154230.97	117400.096	103396.2875	259998.6924	123195.5164	104748.2937	122095.054	58675.092	233553.132	202860.1425	79843.992	136321.6164	110870.0936	195486.4912	91028.09067	106960.054	137149.0837	162710.1687	146347.3055	126399.6332	204331.092	162300.096	156790.592	128015.3948	259963.592	160220.4912	239820.8912	147662.7573	148732.0404	80928.092	127520.096	146062.1425	127436.0907	86221.3925	118334.0907	276041.2875	115300.0907	211039.4164	141594.7573	85836.6164	91870.557	152147.6425	104802.4912	164645.5388	104158.256	327219.7188	167338.08	116950.7937	84974.092	83732.3025	151982.6653	215422.0907	170313.3924	126262.12	99118.75733	124504.5973	89005.424	129458.7573	96100.592	107825.2912	168648.7176	96894.0555
C147	L-Lysine	146.1055	C6H14N2O2	Amino acids and derivatives	Amino acids and derivatives	56-87-1	1	4275031.795	1864010.036	4780265.472	4227935.746	7066637.662	5140365.437	6470139.871	2017582.181	7993604.374	5471970.977	3803121.42	6396859.424	4725913.045	6130648.04	8859210.405	3021498.29	6028365.474	4089046.939	9504829.251	6916501.375	5670046.047	9149243.156	7296465.632	1739138.951	4265966.618	7485329.341	3192469.855	11004872.21	6020855.158	9040619.285	5279754.753	3264288.964	7109222.104	2508957.817	9377897.742	5265386.217	18443204.6	11103579.33	10002223.82	10948182.41	4577564.135	4443250.882	7559794.994	5864529.904	12003107.36	6938974.501	5368558.945	3618628.326	5236232.85	5272869.013	2658974.879	7511535.526	5047947.101	1766262.498	5425762.145	6955352.002	5467737.233	7220899.822	3537022.257	4047640.234	4654813.936	3819457.668	4469893.001	10017398.35	4021539.835	5926113.214	5326322.547	9506042.641	3509289.124	3773979.345	4099546.913	4183383.703	6684262.582	5708940.087	6081238.049	4874247.537	6708429.614	9451391.154	2786492.828	4201024.049	4104780.457	3813861.256	14665127.13	7460056.208	3576286.159	6957874.219	7419222.676	3783964.21	3712222.253	4925583.765	8868451.208	2364655.13	8684425.417	2700780.187	3801969.853	2236739.232	4422972.748	6499555.08	3618777.866	2145514.576	10417599.36	2515884.999	7643052.284	7596577.702	3515211.949	9270043.609	4707768.649	3715314.381	4597839.593	5186011.194	1715525.372	3544217.362	6952326.409	7670013.194	4644752.566	2270329.049	8245617.929	5434139.177	3425894.315	9015618.106	1640200.175	3881797.613	3385683.317	3915521.91	11202133.14	3095327.73	4459637.85	4017544.939	4038936.549	4580050.36	3981085.819	1913588.119	3669362.224	3355982.698	4218310.483	3404734.055	5091932.925	3694249.143	6645494.726	13077503.73	6779666.047	5293860.303	5302632.609	5508339.834	9762593.532	3959201.679	7138094.59	3898995.15	2504891.583	8814756.028	2641675.764	8804861.974	19404229.26	5450822.759	17162364.34	8025707.329	11502010.67	14670039.49	9220593.652	6705355.279	3395743.681	4421414.531	5523461.307	1931517.147	5440006.728	4238345.395	4994007.897	11262170.57	10008599.97	3017144.584	4962558.639	4571599.447	5840747.802	3714782.957	2628545.215	2590702.501	3824059.684	5535085.886	4572605.594	6162324.386	2860940.033	4902248.048	3781882.445	6692417.119	3003635.476	7508076.765	3363843.836	3593114.484	3754687.739	2683111.752	3976483.44	3297006.178	6265929.704	5277561.718	9460104.15	4451629.401	2142794.434	7380158.485	11575966.15	5436089.687	3556939.768	3482803.642	2157256.404	6310560.716	3904854.365	7102298.05	7076426.46	3491701.841	1059788.594	10046323.71	5703166.929	7273960.136	7814083.04	13014963.82	3506493.736
C148	L-Lysine-Butanoic Acid	234.158	C10H22N2O4	Amino acids and derivatives	Amino acids and derivatives	80407-71-2	3	329644.1205	38227.78	870443.2635	860379.466	776366.7545	1234042	849222.468	71587.78	1743053.91	1342917.147	631062.78	1652279.184	1836546.768	567946.3705	1404019.257	478494.619	1440154.581	507682.278	1746579.48	3361841.148	628525.278	2629907.598	1154661.88	497264.778	584497.78	1552276.95	505267.78	1098725.708	1128879.227	2079930.27	829235.778	737397.78	1291738.12	518500.3705	426732.78	1214124.69	2554032.864	2134912.086	1394803.242	1738844.13	1805488.872	554908.278	1396771.455	1334279.07	969973.425	1250100.603	770897.778	771592.278	256068.619	336382.78	726193.3625	726972.78	466706.778	81259.278	263407.78	1701259.92	1068807.72	474346.278	362792.78	245161.278	612551.778	191127.78	411146.778	1616207.064	1125249.45	712377.78	539629.278	1216318.131	221548.278	365579.6027	251411.778	452816.778	889509.65	830527.78	616849.182	1396172.322	1470598.194	801218.782	420175.278	578521.278	745543.119	918384.576	722977.278	786742.78	858574.85	615329.778	1223400.537	670516.122	588244.278	581993.778	1345102.044	858953.936	1201678.433	306971.778	1282616.49	352808.778	374282.8705	352993.6205	752687.78	211282.78	1163847.267	780554.619	1093532.628	2108646.456	329432.78	1089130.33	1155568.128	951339.63	307666.278	997840.932	336389.119	438677.619	913366.22	779181.619	635470.278	691309.619	770203.278	1118646.429	586160.778	1165502.955	225715.278	1395744.87	453121.2693	193768.278	1584096.82	554612.78	378403.3705	352993.6205	305802.78	456289.278	558380.778	97232.778	367393.278	405187.78	601872.78	317969.3705	751451.778	1426020.46	890585.13	3912980.66	666722.778	1566278.07	567122.78	984821.476	1196475	915317.78	365908.619	178489.278	176498.8705	1066347.801	224487.78	1241512.144	1203500.439	738092.78	1377768.546	864498.466	628977.78	1917359.05	1429424.067	1054464.906	442399.278	810372.78	1513333.557	84037.278	2271536.195	186732.119	1229080.767	1619952.599	1647282.05	1187839.966	246727.78	636622.78	488587.78	692764.6125	397542.78	254372.78	967048.191	1243323.03	537545.778	1937843.48	536156.778	687557.778	466012.278	1043836.278	707698.278	1040377.47	142375.278	1013713.035	993078.2693	110507.78	780620.778	427909.2693	516016.278	1217127.09	947982.78	690534.2693	284257.78	1130000.5	2462499.762	945893.721	363487.78	525422.78	50042.78	648437.78	198772.78	1024704.192	451018.8638	340552.78	52090.278	1261504.23	612551.778	772842.78	437537.778	1591499.532	1174527.288
C149	L-Methionine	149.0511	C5H11NO2S	Amino acids and derivatives	Amino acids and derivatives	63-68-3	1	29357237.53	26359533.16	19877412.01	27367506.38	30960062.29	27320180.13	25600470.76	10875508.5	24298422.67	22147381.83	25937067.37	29253820.66	26194632.35	19383048.24	29858398.71	22361873.85	29367957.72	26738060.91	39747565.49	38303178.87	30381531.71	29490551.12	29458761.89	23930922.11	29440093.81	35866879.44	30391677.25	33403456.64	30139256.94	31315890.36	46102574.77	27377490.82	31007992.62	21412900.9	29906948.23	26672138.16	42725686.4	39548958.19	32034731.91	35848630.79	29984333.23	26836429.55	26319065.19	29069508.96	31675186.1	32481214.01	34375612.01	25379954.31	30541029.66	29797157.93	28842308.68	31467258.48	31132701.49	25125082.36	38391438.39	37009235.65	32520659.79	29954830.27	30096555.48	42100379.45	36084115.56	28213163.4	31756765.46	39784362.88	32957416.41	33000620.97	48764568.75	39372965.87	26221857.46	25919706.3	28054689.17	27411077.68	26506646.35	33437417.05	39291912.5	30087102.83	34110911.46	35577679.48	27729519.17	28480649.8	27864830.6	31366636.93	45426317.85	34711041.68	26312749.74	30188085.52	33488072.67	24677321.74	30317770.36	29035222.96	31786688.58	20058149.11	34103780.7	30080679.5	42603318.23	24882780.52	25377749.53	28419699	29340934.03	30624125	36851232.88	27585180.05	25815820.3	40939563.36	29198186.06	31604231.41	30774370.4	27831344.56	27639760.17	36999499.05	26859363.31	33539788.75	27742246.54	34381077.77	27934363.01	23669853.31	25666618.19	30662995.26	23474350.61	33623646.4	17642555.48	29551237.89	39049385.94	26868142.69	42817754.44	28769922.76	35845268.77	25500238.25	24512729.96	28076952.23	27044401.9	18454323.53	19056095.16	27878561.18	35523856.59	23645191.45	39325298.48	27282171.32	32125284.47	42021682.76	40977524	38495763.15	29998750.48	30716392.1	32729356.3	36052988.55	35458197.15	23705737.39	26445600.13	30496713.02	31832328.07	39794032.03	46367461.25	33760646.17	50364509.61	31791616.03	29287755.91	45125482.3	41453178.27	38482552.47	25972231.03	35643177.75	34581277.26	35602796.04	41980188.89	27354382.61	34056178.09	43156586.34	36078811.24	28002621.46	32318324.08	28351736.18	38715511.11	31117511.41	35214979.88	42056779.44	31538375.9	30882237.78	28321915.83	38792468.99	31142173.32	36017787.71	33716156.99	35703445.82	30118625.83	30303264.59	30307562.85	30404895.44	36038794.18	23432762.08	23875051.03	31967093.82	39136373.15	37055266.34	41118074.4	30509949.84	29066656.85	43319796.36	44115170.32	42496615.89	39577617.23	40069142.21	31541169.16	36109934.74	33502189.92	32472387.49	40099297.78	38570344.7	19753801.86	45349563.68	33654932.52	36763428.19	40001085.22	38154956.93	33580579.38
C150	L-Methionine methyl ester	163.0667	C6H13NO2S	Amino acids and derivatives	Amino acids and derivatives	10332-17-9	3	34085.39423	45047.01683	31355.84725	41671.96623	34526.505	32456.3465	28791.91269	25261.59	26443.12	27667.81677	34128.255	32170.68583	37075.5	22494.14677	36862.03569	30236.067	39346.2	36712.2875	32747.87385	29014.16662	45638.437	44379.91138	49680.73846	36679.39567	33450.92025	36115.82542	34556.47692	29287.427	32217.82431	38466.87385	51879.38469	27564.792	32567.5	22843.31077	41622.00215	40438.60908	43730.03077	51865.14708	36695.43208	35511.75675	41196.75	22982.715	33545.75	27981.90958	36319.12	33857.06585	45960.52354	26591.595	28578.45575	30250.82077	38842.125	29870.86769	41472.34975	36855.85	52978.43308	38069.16	28346.17333	33936.32	35441.62967	53568.165	52886.02508	38862.89654	38268.90846	44385.97917	48843.375	45985.73877	51167.80933	35900.375	39234.125	34769.845	32962.639	31828.953	29768.44269	38309.03446	49318.80854	40565.00892	36717.84	39625.25	35904.82015	31433.02769	41263.91554	35228.997	53895.14	40798.23908	46996.59808	48217.56983	37449.72115	39364.0275	39456.63069	35322.79075	38822.472	38668.21962	55327.1615	54096.37417	64540.02108	34324.55815	47225.39142	37666.125	62850.92423	53753.26985	48068.52917	47192.25346	46905.431	40508.741	71599.31833	45122.797	37078.125	45906.87167	67262.01233	55908.19908	54717.838	63793.4025	42644.70833	43318.77083	49272.88767	39437.6355	44601.95367	54024.23444	53158	53332.3875	43083.49038	52156.15125	66866.01042	44363.18075	65709.875	44581.375	58459.067	47620.13858	30382.84738	42690.43269	39875.22262	29468.1135	36294.95633	42557.97538	59518.905	36683.695	61984.125	43159.98508	61105.71	49253.06988	55939.56	57478.09858	52179.75	47341.882	52601.77523	64141	56891.79275	41269.32	44249.74125	54044.55	47621.02367	50974.57517	74832.81231	47507.54367	70404.684	50809.96358	48719.72108	71114.99575	64925	58847.25	37901.92358	47781.84	53847.46446	58728.8195	55497.741	42176.75	54962.78992	50970.0555	53904.38654	43046.88054	67866.06215	54954.075	49307.71333	66101	66887.625	75123.125	53279.56546	67493.382	51780.19308	67693.699	44208.907	59041.65167	50200.30208	48456.8645	40411.52923	51927.45231	48647.375	57558.41	68265.25083	41587	46324.375	45706.5	54139.75	48844.25	54530.875	51279.10915	50806	56296.625	49774.40515	56926.05231	59015.576	48256.25	38896.78154	51531.05354	45513.95925	43945.80992	55830.24	65399.67531	48812.34583	55630.924	46234.09808	43356.87883	67189.002	39349.78125	47078.5
C151	L-Methionine Sulfoxide	165.046	C5H11NO3S	Amino acids and derivatives	Amino acids and derivatives	3226-65-1	3	686898.5143	704870.9794	840735.7354	720864.1286	820142.4257	623175.774	643624.3914	722930.5957	672390.6058	772697.9528	677193.8889	790058.5791	641211.4368	727234.6118	766675.5682	737878.7243	812423.1757	769889.9957	795270.0883	802458.6146	778831.7308	726795.18	818708.6193	723022.7554	844721.3914	681326.0846	859428.8923	778701.4611	725250.0185	734882.5594	681505.3954	517178.266	705229.6011	806511.7246	752855.0246	669383.0757	875999.5063	711250.189	704690.5191	771366.5717	771809.7171	654090.0489	664435.2317	647538.6317	749976.0728	892496.8029	866079.486	704597.3748	749080.3011	777656.2449	673598.4763	767952.7689	657243.2571	748899.8409	669727.669	661834.5671	634242.042	725910.6056	595243.08	690945.9743	710286.1998	645095.1096	673059.3943	628668.4629	709361.7969	716373.3111	733804.3954	708823.8643	659318.7807	762740.1103	722484.8229	637115.6134	549886.6767	585728.382	595892.0036	672141.252	703341.1376	754474.5694	676834.1177	819351.7663	635162.5429	649291.5792	722209.173	697501.9929	641904.3394	695704.2866	624542.5303	635344.4686	659580.0454	582496.0416	613392.5571	571338.414	726886.6596	696374.7886	827978.2277	649745.3857	651590.9836	644663.9109	590568.354	645425.2257	721398.7857	653229.7043	511481.8429	563790.1166	614009.0914	505740.5254	575651.07	738657.2829	662528.5457	794370.0857	601752.4984	584647.0564	577520.5447	591955.1857	616342.7214	694088.19	729401.0743	855522.9429	654547.8471	827286.112	752543.7771	760828.3057	749534.3663	656524.8643	688566.7157	630286.8583	678178.1686	602429.3074	752409.4444	687343.7016	634865.6382	655624.8617	920960.5693	827080.524	842716.2009	833188.5874	805511.4969	721313.5507	933295.77	781347.606	739197.5143	751237.7786	679529.5277	667929.7393	718169.868	569722.3174	614442.9554	725897.4763	649955.0404	820604.1513	700290.8164	705407.7626	632982.2683	669824.9023	819608.51	802180.7414	686719.2034	639890.5426	630028.085	815297.5393	703972.1263	740095.218	670819.6829	662015.005	734889.2118	673155.0314	699120.3883	712777.8986	667849.0346	676415.1349	786463.1666	815219.5706	824017.5543	702893.9623	679709.988	617810.0286	668028.3454	780615.5443	725268.063	697501.9929	803275.681	754885.7829	690851.3991	717089.4051	632262.726	699206.1291	666506.4136	598295.9623	707383.6303	616986.8203	728682.2901	758152.755	630107.5474	634599.5143	571339.5634	497116.3629	573022.8806	612314.3931	601605.2157	574034.9734	553255.391	512210.6589	598221.6029	632443.1863	598295.9623	669285.8203	586118.3443	609618.9831	495677.2783	602533.7229	659190.5781	654368.5363	586435.0089	575292.4483	636755.8423
C152	L-Norleucine*	131.0946	C6H13NO2	Amino acids and derivatives	Amino acids and derivatives	327-57-1	1	2043736.36	1374986.644	5325706.881	4527536.85	5326212.562	4529609.436	3869232.963	890774.8452	5167845.414	4888729.1	4254845.528	5781749.532	4258336.044	4304158.499	4492832.507	2784636.799	4970172.258	3732275.056	6944109.298	5538503.333	3933452.373	5909163.627	5749255.956	3664502.841	3949302.557	5610565.543	4573997.777	4276147.165	5034211.646	6065937.315	5487632.83	4744093.635	5112434.65	3014252.185	3710410.584	3953381.388	6481029.199	6013068.892	5745572.76	5847011.728	5154305.208	4684523.817	4811854.873	4378690.163	4910242.018	5198283.803	4337883.794	3242799.033	2331378.065	4296196.667	4612762.08	4336879.795	3846691.762	2414667.684	2503807.778	6148975.881	5766087.322	4120529.839	2726829.656	2785322.581	4512786.951	4166713.062	5507181.545	6523831.252	5237334.052	4811044.377	6137280.94	6073497.553	2013063.007	3692928.094	2926227.933	4545503.496	5017291.092	3864768.485	4573969.204	4469054.083	5405206.892	5189994.358	3510083.232	4528964.599	4921549.161	5501636.501	5747871.37	5052965.79	3521774.984	5342029.252	5632850.095	3197796.323	4950273.379	3546137.202	5351781.052	3443153.52	4690513.852	4183384.659	6162575.25	3268952.537	2882419.805	3792444.432	4444038.46	5292724.998	5698407.86	3727259.651	4747938.815	5976934.006	3639497.71	5310880.636	4087295.186	3432861.36	2265847.297	6594593.933	2851081.395	3561430.81	4917217.867	5101511.277	3064113.134	3556098.916	4142725.398	5399437.219	3971373.924	5601117.067	2348170.718	5747258.834	4619573.2	2792934.574	7180796.323	3516040.416	3281850.742	1970059.482	3276602.52	3663316.116	4088260.888	1550732.718	1959351.216	4016967.435	3928817.972	3108868.958	5237723.374	3803353.785	4499200.592	7021504.163	3638633.394	5142712.854	3397108.969	3482547.885	4640596.92	4435926.672	4184126.787	3473156.266	1698981.091	5074984.008	2586103.193	3611214.311	5447488.042	4134999.227	6608135.141	4965649.124	6035303.14	5961029.011	5155828.704	6059987.129	3473685.707	4913353.244	5406600.3	2053762.105	6207538.1	2298483.203	4342319.858	5724753.8	5150760.888	3990823.966	3078358.098	4664550.585	4255825.201	2256490.492	3606770.782	5096396.296	4447132.428	4979893.769	3032981.124	5803644.228	4643216.047	5467682.736	4415796.83	5519080.488	4565101.588	4986397.615	1558389.238	4641485.666	3367026.812	2146841.528	3750729.387	3407203.595	3691801.52	4682991.588	5821419.066	3722989.545	2524324.405	6446619.139	6159554.1	5181859.904	4227364.228	4549018.933	1551875.426	4604120.858	3915873.1	5077980.817	5746134.487	3257889.14	2013285.156	5899894.557	4740372.495	4917936.248	4650063.835	5778065.757	3742123.894
C153	L-Ornithine	132.0899	C5H12N2O2	Amino acids and derivatives	Amino acids and derivatives	70-26-8	3	148244.066	130924.7617	181707.058	541759.5214	537109.474	143762.7388	314259.2588	97762.15575	169549.09	590296.416	138423.91	120481.848	70878.19375	420020.135	214406.587	69398.144	261095.528	131649.675	746291.181	NA	114255.641	NA	1014991.203	55355.104	179985.042	138973.109	165008.0425	166436.572	171965.2675	NA	354472.239	116848.134	109884.3325	71779.36	223196.113	75256.657	499370.3289	216101.4813	238209.504	112057.674	153071.949	315291.75	207212.9302	209424.8333	414893.497	128014.1113	175956.802	226173.06	189872.966	292602.8179	215504.985	114988.687	100895.2932	170536.327	148994.601	294966.703	217382.8288	162179.5	168999.891	184929.004	233488.28	240406.3	247729.734	440559.0314	NA	307601.793	423498.8745	148493.339	68848.945	74525.953	128417.642	148086.304	491243.868	148159.6113	169550.261	270792.2821	87157.53	411414.456	84056.264	127476.612	98444.3564	369208.6736	248883.5975	250529.2037	343011.1037	144496.128	147975.725	68115.899	144650.117	172845.455	528228.732	87906.2912	113706.442	168842.5804	374670.7214	136410.961	84430.7275	111326.97	148127.987	154751.4062	NA	84357.8226	113933.799	191463.5451	87890.576	797924.084	NA	76372.5275	36999.7875	62989.261	NA	136256.1975	217198.9425	253405.571	125940.69	63734.74	107643.1343	NA	149225.214	136438.9125	108807.1106	102559.335	113341.09	168564.6667	311201.7763	224477.187	102720.12	127073.407	110689.04	137140.494	395303.838	102568.3848	81978.504	65186.057	92102.663	113912.2613	232165.973	124718.2138	127455.44	499063.5	145381.992	357219.405	91497.1665	66665.2075	NA	53587.2944	154235.004	63003.88	79301.82375	NA	119150.9202	164606.299	350262.494	101811.448	440630.3154	139890.002	441541.2105	123613.49	90655.92125	370788.5643	113635.956	214041.235	57692.26125	45962.921	397865.986	94447.84512	113145.9	487788.7893	132138.4353	57679.947	182461.8675	133325.73	189142.262	69763.496	148326.217	196471.2048	103087.814	74340.935	153287.3438	568995.0579	151107.512	131994.7704	404901.042	350994.369	157097.847	165888.544	139878.312	157681.8737	120956.4432	130367.43	99952.7178	131386.3434	163848.392	186354.1313	148721.2352	285812.996	103813.6964	93016.043	892034.4093	114987.516	117759.7896	129269.032	124443.032	139855.0764	149454.1776	113364.1163	183503.2512	129523.912	124608.9494	318037.745	164276.0113	150690.135	500496.399	184442.2128	342756.384
C154	L-Phenylalanine	165.0705	C9H11NO2	Amino acids and derivatives	Amino acids and derivatives	63-91-2	1	164869.4531	151595.2457	1203559.84	753172.388	1081130.238	1066793.43	1013568.26	69808.9	936771.5	1053288.418	386216.0974	1282734.064	1003513.263	1148001.963	833081.8394	270795.4063	975220.7066	560965.3989	1752288.15	1265140.837	631317.9109	1313310.278	962901.8909	276590.7801	512138.042	1077322.707	907678.884	1266949.114	1240542.746	1476389.956	885792.25	862133.7258	1104753.646	389466.2783	601776.417	790998.25	1728646.3	1457050.761	1051743	1353328.46	1088496.161	611468.0485	719386.877	732465.3943	1296673.174	1166262.02	605034.5777	345247.2145	212356.1366	1065728.868	676942.784	1152960.62	959849.8138	197213.6757	171744.027	1265245.857	999352.7929	911870.0065	303000.151	154226.124	805704.6327	248455.5951	704619.96	1904852.518	874265.3116	938212.5474	1597492.046	1088387.125	230217.904	609794.3484	548931.012	516268.172	1095632.642	419304.9529	1238494.087	891129.7701	1005799.979	1371741.006	601213.8032	1093369.577	841605.4386	1467056.763	1230373.24	942293.25	424831.506	1113428.936	1294661.959	393714.354	1128446.369	455229.3051	1339479.639	353224.788	694072.038	919585.2043	1034676.786	787646.8429	403735.7499	690261.4607	685370.196	704457.154	811409.7214	837685.608	843930.5979	1151923.275	553842.9964	1215559.687	873701.024	463004.1451	227503.7014	974422.9671	247029.489	281686.5926	1129362.786	1097267.001	263710.216	709310.4146	776218.344	774137.4436	384506.7107	1514969.596	400570.764	625654.9303	1025154.872	312993.184	1283600.898	687741.572	947731.0156	190621.748	844788.0472	670492.7129	553000.6994	125312.7874	201739.219	648886.2765	876733.2043	171328.72	530756.828	881929.488	572382.2846	1954543.872	355358.0151	1011054.252	286874.721	785030.3109	822062.6087	929278.196	823168.6995	628458.2829	130866.0043	906089.5429	513975.9469	855310.9259	1351893.861	745359.121	1971529.603	723419.1021	871168.194	1480284.138	828434.0276	389440.2015	398227.0977	1082419.215	823998.0095	184250.1634	1529996.144	183038.0143	770694.0269	1086790.684	1132522.688	684266.5914	450536.5882	382235.2727	1020280.686	81120.34286	601953.9934	694333.607	952658.07	1008081.95	356546.2789	1151446.295	597071.628	601127.583	549694.2822	1268810.931	852893.328	984593.0995	92085.877	681383.3895	828168.1144	193604.796	578367.5045	357341.524	132747.3234	798789.5296	1162451.745	654572.3173	190599.7009	1191769.803	1867216.264	1010801.971	224337.8674	276592.5296	209471.42	1092191.7	262616.5999	802823.3433	1076254.032	282128.9257	201539.625	1459784.327	700987.875	895938.7185	224336.1177	1278452.469	474075.8991
C155	L-Proline	115.0633	C5H9NO2	Amino acids and derivatives	Amino acids and derivatives	147-85-3	1	176584.8061	134550.9804	1332220.558	1506685.87	3484548.496	636164.5889	491911.81	183948.7459	233909.6197	2186869.339	2364856.713	482467.4948	1210262.496	300547.1197	210586.4948	803660.2448	539109.3698	362519.9947	1481099.143	3413305.445	569449.5889	883625.2448	101105.1456	585289.7304	913132.9222	574793.31	123635.294	2266040.582	2131348.31	417240.997	2887389.31	1248055.7	2529118.478	312697.9222	129967.3084	714335.7	1743412.496	336562.9334	517517.4767	701473.9767	873589.4811	1390360.723	145948.1198	333865.8697	798505.9767	2498755.935	1690661.31	1353070.81	404854.124	456386.7044	3361886.496	741965.1444	1160354.477	204395.1343	428606.8111	663402.301	659406.124	885782.2304	1928683.478	2039201.256	832197.6433	731544.5956	701473.9767	723632.7656	231831.2556	374021.8111	3306091.084	1326106.801	671151.4767	558655.1679	241089.2304	418277.9543	1161028.31	3078940.804	1000151.675	291244.551	96989.7995	2977520.101	744660.7	325528.6456	898254.4228	560689.0333	2494544.477	192600.6679	2399087.178	349404.7995	1858900.282	445454.0333	165272.9947	1455613.478	307306.8111	510691.1355	181274.6433	66434.2995	221645.0971	1839881.812	909014.6433	214769.6367	278556.7447	125290.4947	345718.4778	460477.1197	517167.4959	2892922.829	366923.6686	1911296.301	518865.1433	3887564.17	2003993.81	212270.9767	235242.3697	94257.66788	987579.7448	2264280.144	920665.1332	803635.0144	920275.8698	2400207.81	238570.1444	1095666.477	173862.4767	890220.7	170063.7304	192008.1343	487177.8084	5289221.807	1250380.881	2240996.468	645652.2567	1287922.24	4186917.323	516995.9804	1145530.143	1534458.478	428491.1197	101170.1343	226375.0971	348221.9677	1012194.589	773574.1433	2020858.596	2078286.811	1842125.124	665141.8111	339259.0444	745273.1433	360172.124	213618.6433	173971.4228	948770.81	317388.9767	529039.1674	3582651.891	2864415.938	1823406.477	460520.3084	269797.294	373883.4334	1561959.143	373364.634	1727048.31	3877877.438	1061300.977	287764.0333	924512.81	333082.301	277001.5495	2030273.31	235200.7	896885.6433	1753438.124	1678809.09	3029675.123	1934774.23	174115.801	228461.8111	3287484.59	1316118.478	1392826.977	146235.31	673172.9767	1097285.48	253883.124	179750.8114	1195945.294	2841413.414	3193321.772	1019555.882	275964.4677	134550.9804	504040.81	285044.9767	1371264.31	462936.9767	390355.9833	1167835.418	764902.2929	2427361.256	1115207.643	390195.1444	650228.294	2454316.811	738534.81	215157.294	733878.4778	1455373.476	1130956.793	1979848.105	282846.1343	2875920.667	1364639.38	1165167.367	836240.6433	776269.4767	3533242.388
C156	L-Saccharopine	276.1321	C11H20N2O6	Amino acids and derivatives	Amino acids and derivatives	997-68-2	3	53312.52333	62630.5075	67235.226	22348.86333	47998.323	47349.2145	79886.8015	33820.0905	167047.0597	47328.365	45372.56533	105343.5067	80454.475	75953.976	93612.76225	52659.908	57199.12	65709.47	102460.6726	95325.225	61236.3795	155733.949	46015.6345	105742.302	40847.312	78443.816	53620.98133	119314.9335	106406.916	140216.5128	140917.205	139958.522	94171.37167	42929.8485	106253.222	118429.9133	179259.927	92254.80333	97119.496	104705.0333	79860.8505	73314.3108	67077	91616.33	61672.974	75093.3865	28410.21	65949.8288	105652.0853	55764.92383	44192.5245	99241.4332	118052.2575	64547.8735	105426.633	55707.4984	85637.75	76072.8225	71578.2155	58419.16167	45725.3935	42820.0245	76303.633	81083.81667	82678.85167	59057.635	103113.76	90472.53967	51451.776	29988.555	71023.254	75597.5964	60290.508	71131.9156	55062.04675	40553.90673	38194.8135	38154.123	35429.247	52050.68133	106284.6188	48665.4644	77275.40133	76614.50333	42463.1475	115510.7808	73863.1395	48573.272	107046.038	41667.1725	51077.86667	52351.81867	133432.8883	110094.1547	55531.01	53850.865	56144.046	26201.6625	35127.37533	41883.50933	40702.235	78829.64727	39757.38667	86828.92833	35985.1305	51198.12475	35039.259	41223.369	64709.874	109493.5833	34586.96533	43543.14	51083.79733	66330.661	50489.4885	36300.7995	82979.85	57519.8305	65441.22	107684.0105	43117.514	56160.448	66364.9245	46039.32	83236.4964	50571.752	68512.486	43783.85582	65708.317	34259.666	49558.8975	53364.388	52376.845	92254.80333	88680.1096	39142.956	29042.6835	48892.833	92652.105	73267.91933	46220.65067	58907.7948	135113.32	58080.825	113647.9492	88449.63067	64175.84	79229.5125	81401.905	94943.55	57701.842	63773.14133	147051.65	50439.39333	108205.4876	77010.7525	89950.423	87435.771	111107.5395	60031.4304	79885.652	76285.939	48273.55	36165.58	46574.1134	55791.36	41541.7805	89151.7715	85871.21833	72135.7875	51378.62033	47063.5888	89309.2392	61210.55	72672.8696	105938.427	64248.524	115068.247	55386.202	69243.545	65340.506	42298.5105	86915.994	95182.63467	63761.7315	55386.202	48252.5615	61033.852	58939.846	112949.7707	53938.272	43877.991	40769.0525	71578.2155	69470.27	30270.86375	27463.203	77335.4985	105287.2415	50190.2355	49813.49333	72916.1325	50016.4525	170426.1312	68849.792	64670.4012	51452.9115	38985.2925	53211.52	72144.04167	92169.6705	88743.2	41566.21867	82741.17333	46440.6
C157	L-Serine	105.0426	C3H7NO3	Amino acids and derivatives	Amino acids and derivatives	56-45-1	3	428748.2262	452466.0135	518383.6735	NA	683338.0527	516167.9198	384699.8509	333792.2469	650922.888	551879.4608	694888.502	980255.3333	NA	424753.1435	551008.4928	579619.9665	512310.6302	651772.6075	1101270.171	700222.8878	633562.8571	NA	309307.1212	308250.9297	719796	853676.6588	502511.89	394870.6912	538755.1272	1085500.525	851103.8805	728742.0656	805720.29	647776.1045	410822.2818	685297.5273	1023601.839	794674.1663	668828.7953	675373.6958	738375.3792	478113.1193	771048.4522	818107.4713	678736.5281	767766.6853	763609.9289	685723.15	495051.192	619829.0605	727094.7636	827367.5547	753627.0756	604327.6048	855650.6978	722490.3312	1074146.076	683724.9153	811638.69	757675.4064	676103.5628	756033.9891	789885.4721	979599.9417	648362.7818	611652.0799	742761.11	903002.9755	577875.3309	655097.8805	606916.0439	794432.9036	601055.6475	658183.5565	600609.4146	578079.6672	850428.2653	897695.1283	632506.9988	620203.0525	1006325.28	805061.32	565013.9361	566147.912	547953.8028	826709.9984	796198.5195	730113.0312	579290.1003	751589.1683	480149.38	639165.0256	779256.5671	568933.6474	734310.5392	593236.392	504607.3122	595856.8432	1048347.59	923388.2763	704114.6238	654480.8448	655716.5757	801341.3263	635132.5022	653586.896	458185.1088	NA	717094.3469	594441.9766	537181.312	441071.1616	757398.5585	602444.9209	456868.7568	686625.8345	534707.0261	NA	410657.0182	841262.6805	435146.2064	NA	664745.7233	536524.5072	896981.624	NA	718194.0196	502478.5448	444426.8552	656774.0364	458846.0272	373269.4352	406182.3488	601093.6618	652427.424	605645.328	652934.9165	536002.4071	766209.3333	787668.6016	820135.8046	756998.0645	562984.6895	432792.59	615388.7527	498563.55	470913.0995	433798.2157	581867.6402	801720.1167	604941.6599	607008.9007	807090.4765	689049.8433	943924.2747	862885.1877	586702.5	750245.9178	716878.9069	601131.1781	530599.552	652278.8365	611663.2	529906.1852	581399.0075	611326.3831	638617.3705	851047.8033	524942.7068	468371.4182	672620.0502	556675.128	468967.44	659427.1273	657758.9578	983962.77	748300.7609	690993.0238	514626.5572	NA	789309.3408	1092630.938	768900.4	743188.011	558286.3986	912210.1345	833495.43	675401.1829	699849.0088	564565.18	545884.1144	686584.3785	766273.7796	882723.7777	866708.7272	878783.6841	766762.92	927376.6571	1235785.402	675784.8664	670156.1744	1155064.245	736589.1975	826820.65	673392.064	672114.9891	888645.5586	738983.5236	575243.16	853803.3455	859650.34	590523.4216	874364.8	647823.1595	802379.043
C158	L-Theanine	174.1005	C7H14N2O3	Amino acids and derivatives	Amino acids and derivatives	3081-61-6	3	2799046.717	NA	2486226.837	3608813.824	4034047.835	1291953.146	3355609.214	1156458.151	2150920.354	3754996.249	1765458.035	2961505.459	2052629.687	NA	NA	1478239.613	NA	2361125.956	4852502.786	2256187.619	2129209.684	NA	3807327.969	2640016.904	3690359.546	3583167.306	3680753.664	3119054.932	1685066.473	5463267.883	2472296.05	NA	2750717.136	1305771.072	3196032.597	2185604.624	4298591.04	3589027.295	1882149.789	2329857.774	2501874.244	2148131.996	NA	NA	2074195.071	2619834.023	1725781.145	1382454.409	NA	2458870.91	1833919.7	2200093.405	1341873.078	1505712.227	1392265.229	NA	1510262.545	1371182.766	1665225.667	1940824.415	1717468.848	1235164.681	3278931.516	2167025.184	1684225.738	2899323.536	NA	NA	1947085.992	999920.77	1591232.102	NA	1716427.875	1313644.112	2044390.614	4243631.994	2988129.042	2490567.122	1239122.412	1818609.445	NA	NA	2797718.333	4576994.273	3290242.644	NA	3208430.61	1324612.987	3165335.883	3718951.825	2929008.198	1524987.397	2635419.05	1113342.92	NA	2555043.987	1840069.934	1993332.026	2313016.764	2960562.898	2793866.825	1630409.464	2326006.848	2667393.356	2576760.977	3003184.52	NA	3121621.686	2394453.561	2546065.741	1525771.89	2589183.752	NA	1589154.38	NA	NA	1440576.841	1650453.514	2665561.839	2143975.143	1544398.291	1937215.757	2694231.408	3590674.471	3655800.636	2609376.565	NA	NA	1970515.213	1636574.459	1557465.952	1615795.515	2202506.095	NA	2416191.924	2166834.31	4746750.312	2389175.906	NA	NA	2598507.524	2549183.028	2060227.91	NA	1489304.04	2608117.487	1652530.161	1981649.37	NA	1482135.504	1481097.348	2561132.394	2858155.061	2550740.967	2903104.285	NA	1901757.482	1995577.491	3945964.309	2533629.959	2534866.041	4281657.959	1279599.135	NA	NA	1564876.127	NA	3559115.034	2378481.376	2693081.115	1563176.518	3171845.372	2451215.139	1593547.1	1955715.493	3795047.121	3714803.312	1844207.162	NA	4547166.921	2034355.833	1419924.205	2491720.057	3200452.509	1761314.659	3483759.837	1190181.069	2879887.328	2507866.859	2759824.366	1015632.634	1204208.157	2456713.84	2611239.176	2096181.906	2782100.146	1746177.203	3918601.151	4727530.03	2892824.454	2153327.005	2163354.447	1108000.751	NA	1485534.281	1407330.474	2323604.191	NA	1634420.268	1822230.615	2555359.305	2472579.041	1573493.963	2274888.525	2228654.635
C159	L-threo-3-Methylaspartate	147.0532	C5H9NO4	Amino acids and derivatives	Amino acids and derivatives	6061-13-8	1	1751155.246	2179652.97	2223133.185	3554683.841	2700546.328	2251519.762	2628183	2711944.048	2640649.206	2362486.597	2780873.257	2503677.132	2090241.338	2924164.1	2744181.275	2725112.867	3116101.976	2960774.934	2829440.617	2542367.618	3178424.058	1480855.268	2211574.306	1398404.154	3899681.05	3541506.53	3190084.71	2924744.698	2994791.164	2493547.741	1453391.724	3126173.707	3331408.958	4379959.743	2673780.353	2909596.496	2737124.152	2774517.682	2733984.095	4574370.749	3396196.713	2427166.022	4154868.872	4243703.531	2635957.137	3848508.296	3325211.789	2398913.791	2227626.696	3006076.597	2387533.438	3903496.076	2582607.724	2591334.407	2060396.187	2257492.389	2793628.116	3049134.576	2540123.36	2238567.712	3520643.311	2129473.525	2254045.082	2716589.043	2417010.588	2740566.522	967373.8956	2737301.542	2950758.935	3591739.578	2802994.319	2266476.712	1365284.367	1840935.136	1944715.028	3081164.898	2101867.166	2216192.197	2538629.468	2654768.531	3137924.838	2142200.051	2714789.125	2341296.72	1965261.648	3616781.94	2423719.316	2768671.957	1850617.011	2746055.771	1692374.954	2789707.227	3205274.087	1894741.142	1946650.947	1568906.135	2607887.476	2798368.367	3328347.183	1958643.33	2896757.882	2370728.731	2730511.382	2785898.441	2306278.92	2152123.533	2886200.922	2297457.814	1323808.899	1494106.058	2605806.542	2043523.188	3253389.769	2356613.248	2455804.332	3270497.867	2353433.244	2637015.885	2088505.548	1892557.71	2340494.646	796528.7615	1625619.697	2206507.669	2525731.543	1877051.62	1369098.097	1891203.613	1896221.077	3029959.737	2552579.388	2554957.073	2222774.862	2155368.692	2083173.645	2611452.091	1964303.853	1565548.398	2242136.851	2415806.14	2439435.107	2155776.766	2456268.899	2013367.104	2932831.041	2710944.863	3404098.015	2180762.15	1836874.198	4043315.491	2838052.101	2646254.349	1731019.667	2489698.253	2490936.033	3196853.989	1980990.811	2771628.678	2577280.403	2660891.138	2100222.929	2050386.166	2037841.255	3116431.938	2261501.417	3766393.857	2658615.452	2390892.205	2699466.996	2703876.358	2426088.378	2111856.041	3408557.128	2453635.457	2592458.599	1109875.205	3189698.285	2741715.108	2617800.795	3143008.875	2805071.908	3566620.152	2463460.291	2764644.479	2812868.495	2736672.929	2689267.29	3093564.132	3211841.262	2184209.218	2398260.865	2543008.249	2124408.798	2712478.75	3396826.218	2923076.825	2688585.685	2280897.898	2442754.335	2498809.341	2678025.864	2928079.108	3526348.385	3056988.191	3205200.693	2862119.391	2963649.322	3035676.176	4024084.289	3028809.109	3165941.632	3517845.063	2956133.783	2992396.64	1942790.937
C160	L-Threonine	119.0582	C4H9NO3	Amino acids and derivatives	Amino acids and derivatives	72-19-5	2	638555.4204	449507.3996	430913.6216	690148.9	1009727.151	663254.0658	696583.4007	393686.604	822518.0216	894550.4011	1010624.679	692586.3204	793767.3456	423006.936	869160.4008	717145.8204	1194718.9	715742.4204	1603378.9	1260234.764	1030086.234	985265.6037	657405.8559	553233.9	1322598.9	1088345.12	806376.6216	707166.2811	647058.9	1156079.757	1530403.9	941615.9644	762489.8456	800272.9896	641453.6216	830832.8158	2186483.9	1122528.623	1063973.843	876431.7204	775124.7367	879188.9	917695.898	922042.2204	748020.6204	1009153.9	1353489.401	1474571.651	1374638.72	587873.1538	1044214.888	771286.6216	733875.898	929569.104	919235.4204	1451868.9	1394432.888	770290.8625	1078715.652	745872.1896	1276033.9	909582.5744	1030805.72	1423816.133	1121936.455	1018188.9	861256.5689	1605463.9	835031.4204	905264.5871	814259.4019	1199915.42	650533.9	687368.9	1044005.114	1293075.949	1252403.9	818908.9003	1474704.089	806908.9	868011.3204	1098201.679	1078045.068	846591.5678	638861.604	954753.0258	905994.2822	1365441.902	623773.3625	981970.3989	944594.4011	975176.8456	1287848.9	361991.768	1411089.458	811773.9	960427.1211	1285524.528	1528849.901	915857.4216	1157188.9	717145.8204	1100289.714	1430209.566	1030958.823	1048768.9	847588.2758	1015408.9	1001428.843	1392098.9	1056350.776	828103.7758	1014018.9	777718.9	1050087.901	502844.936	670688.9	1002671.655	1039038.9	1298273.9	651186.0204	1286458.9	1047378.9	641453.6216	2280491.179	575537.2548	802051.5204	957723.9	828948.528	853542.1233	1128693.9	597942.0216	720033.9	797178.9	849675.9008	1065397.151	1460654.151	1239099.843	1093943.9	1426339.055	1454648.9	1149543.9	847588.2758	795849.6216	825704.3011	892465.2344	540723.9	567602.8192	823054.8992	891003.9	963712.8371	938905.898	1132949.154	838116.8989	1578773.204	1305918.9	999503.79	2335908.9	1161358.9	1392098.9	1041818.9	1148153.9	915328.9	567684.3638	1092041.504	625924.8204	946317.5246	1089773.9	936948.79	863898.9	657317.6138	1058668.124	592545.7325	1021265.803	939584.7204	1779364.901	979963.9	859075.9037	827906.898	974403.9	809315.1508	1170232.816	1268682.02	947298.9	758756.5896	1136338.9	823102.5204	1322712.92	1070228.343	796892.8158	933878.3625	1180267.82	1387143.898	1051155.02	1579803.783	1289577.898	1251139.52	1631873.9	1480363.9	939033.9567	985684.0658	1219771.837	795034.5204	979721.2216	1010431.982	1183776.32	1499541.32	785210.7204	875028.3204	942440.898	787315.8204	1051548.9	890829.898	1334413.9	1399048.9
C161	L-Tryptophan	204.0899	C11H12N2O2	Amino acids and derivatives	Amino acids and derivatives	73-22-3	1	4513566.265	1274716.674	21627266.83	14776223.3	21667260.36	12914291.13	29375169.68	724760.0571	17802189.39	19548703.09	4340318.422	14434409.69	13614626.49	15007494.94	18976157.31	3792424.285	20180454.59	13069640.53	29322168.66	20719109.92	16083918.56	29172008.78	25501967.89	3086582.037	11354950.83	18274266.37	19954432.16	15527854.86	22671331.62	31660171.98	18825316.1	16264913.41	21046034.73	5274998.965	13658211	15825513.4	29510367.79	34267131.87	21228551.31	20938083.83	20109985.36	11732430.15	16386152.46	13837585.8	16423890.75	27894282.81	10226312.2	4942489.737	2678977.05	13558830.47	7237480.73	16411227.52	10813631.5	5066256.969	3977449.11	16628094.38	8856046.149	7553526.833	2407401.828	3689952.251	12856731.9	7505512.944	7979460.932	29157850.38	14111724.86	13091291.91	14890593.43	14081135.9	3224913.05	9249462.105	7949292.354	5880839.721	14421534.4	5256785.016	18320333.18	23026755.17	18900900.89	18571280.4	6488868.281	18740175.88	13477942.7	18818540.94	21934075.86	15783904.93	9293169.307	18099707.64	12375763.99	2693743.609	21573779.44	3109768.65	29858047.59	4484686.829	16326726.36	5193462.878	18656604.64	7418163.092	8142801.594	14906618.18	12052351.86	8615506.243	8672241.725	10748632.69	9421134.462	17904222.53	14010536.26	25439504.97	11474182.52	7693664.297	1598111.514	24536878.46	2210224.508	6317403.784	18530234.3	21950838.16	5161782.464	11147662.88	19215067.56	10021403.66	5481771.615	19637446.49	3814245.086	11421913.85	18955071.04	5630812.478	23518457.06	5580827.768	12864709.07	7943568.94	13048268.7	10797963.24	8209172.014	4184850.775	6711702.633	17544309.68	15483518.16	3975359.581	5752319.885	13939525.8	8898472.217	43113359.17	5931148.371	17454637.17	8576037.361	14422757.72	11689142.9	22175585.75	9492455.671	10545451.07	1656528.878	14641526.3	4791882.219	19103439.76	15541740.1	8916916.815	22112456.25	12248728.65	15306220.83	22167333.66	11118751.78	11230970.51	6245894.586	17297066.68	11427440.61	4939860.639	21347508.06	3670405.423	14622204.93	16892816.78	17829525.82	10667718.94	10743365.63	4756618.591	24086939.93	981029.8685	16199669.78	8479686.072	15914760.91	17934449.3	7925059.771	24303736.89	10157113.66	11353355.02	7382571.246	30553895.66	9920337.627	20218570.18	1930895.516	12598287.56	11669624.01	2406572.251	6107472.073	7104347.902	1025764.32	17055315.88	18522214.22	6802394.217	2987695.312	12542469.3	33733430.4	20219143.36	2334503.736	3512886.068	2567591.229	17079264.36	6844292.722	13559294.48	15148044.56	3488941.084	4568840.884	17723242.25	11638624.53	14012355.71	2250149.006	36695880	4828056.337
C162	L-Tyrosine	181.0739	C9H11NO3	Amino acids and derivatives	Amino acids and derivatives	60-18-4	1	13646474.88	7314794.08	26721848.56	30781784	38117082.53	29280824.19	30724807.96	4299855.088	26732380.4	30034925.71	33264707.6	32742389.88	29877485.44	29607598.14	26313221.22	9846616.56	54935885.49	44955850.67	51695957.07	40218420.33	18520913.4	32692033.57	42886268.25	11084318.66	32041322.22	48937604.69	33792319.44	36774889.87	33089246.63	33942579.96	23918088.53	34064426.66	35777817.86	19511560.53	31887611.23	33260561.89	36784927.67	37503487.62	43857531.1	47834726.16	36268904.16	20587395.84	31026604.4	29891915.97	36018560.07	30860202.21	24958197.5	18476757.2	10307765.6	52327943.17	22263759.06	34713717.57	30931751.97	11699870.16	14334996.79	39430033.54	33090081.7	32404663.28	8050682.92	13502349.36	35785895.74	13176244.88	28541980.81	44503209.15	33941806.8	33332096.16	48949030.4	32980714.89	11949141.16	28477058.7	27384741.38	17474885.65	33285419.08	16720841.82	36345638.33	41059814.99	49835947.06	48142796.29	22896407.67	32091351.88	35617561.18	30845826.26	32014722.96	31400533.86	28454079.52	32812191.85	45651463.91	16106438.56	33393087.54	21150342.4	48894174.84	12682409.61	31577972.8	29591598.72	47336935.25	24954679.64	19433240.09	41641488.92	33294209.9	31342317.13	38246333.16	29304955.68	33671959.2	41132032.97	19831712.56	33606541.62	49471205.94	22192464.58	5307651.36	53876561.51	6214378.679	13177545.9	30954688.03	40291337.75	26824697.21	23827480.16	30142070.64	36941038.77	15882034.26	31549142.94	15876239.55	34708692.03	37319205.8	13114952.4	51897472.63	30400885.5	29657179.59	11161341.1	41108466.65	25558902.53	24641342.57	7235008.905	9067461.92	25004344.21	29951083.25	15073669.39	21458267.64	32123322.74	27640269.3	51479319.76	19945655.3	36384780.36	7403436.48	27711293.39	45487126.04	37611618.66	30298927.12	19931047.59	8758226.016	35124657.57	24404926.28	51146895.32	34242768.1	26536956.16	51712946	28735971.71	40297091.99	34733783.92	31973257.57	20255186.39	13734111.41	42808924.03	35219191.14	9487034.48	37117532.04	9269267.92	33371041.29	47483578.85	38109873.85	30614713.68	25465098.4	12564210.96	42265710.41	4247021.629	31652979.95	40557345.73	39188314.61	40095965.14	21540882	41978282.86	35053873.26	22860344	25502838.3	45911847.59	29988781.67	34588023.32	9444809.352	26007759.76	37329548.08	12542094.92	34761965.89	32221543.2	5573444.109	32203197.45	38783885.18	26005156.59	7588951.26	39688852.61	40587675.52	42252022.74	6612072.487	30236042.96	10225410.14	35354625.33	15651108.94	32877982.94	32408673.29	9722730.075	11008547.39	35469415.52	29117877.54	26315725.86	10721787.21	47154206.82	24281104.04
C163	L-Tyrosine methyl ester	195.0895	C10H13NO3	Amino acids and derivatives	Amino acids and derivatives	1080-06-4	3	27504.54644	18617.42375	44325.155	29614.8006	31768.225	36253.0535	15759.2015	27870.0301	16122.1445	40268.16255	40848.0676	27065.2739	28546.2975	35232.1891	17769.13333	16856.62825	44831.59083	34437.88543	30967.482	42283.2432	23026.98382	69165.705	49525.415	27026.86983	23664.66686	44930.4009	26557.2036	22696.47333	37189.5062	59224.7511	22680.705	30741.468	35354.06833	21452.35675	32581.2003	39339.96218	51418.7219	70034.71417	29153.7981	36807.5708	53939.759	20936.44857	41357.3755	34437.88543	43082.05286	40375.9758	29813.11714	20301.29733	22981.8163	34416.76	23274.34473	39958.30709	29107.0027	23690.73636	16618.365	47429.13286	31871.46	26981.0184	18388.53775	34214.3676	44802.2445	21179.5979	25634.389	72588.3289	31777.14764	33822.2735	29723.5615	14107.2925	22374.7186	21958.02	34178.2161	NA	31242.4105	19219.54036	47891.9342	41839.23	47293.6332	32382.43286	27459.1152	24596.53833	25082.4544	30831.213	39810.2288	34280.13	26713.8081	49907.64211	32831.14782	24672.83483	54769.537	19297.96	63540.1925	32113.6025	37000.13571	34955.028	60457.22833	42715.8666	24513.1129	46887.0766	45628.43571	35723.5467	45846.759	47421.6864	44842.6615	34298.6598	24250.01236	55956.8107	38823.694	NA	39301.8185	63860.11357	25662.32625	31841.817	36378.595	22515.7176	27161.8665	33289.71055	37954.44714	50391.80178	42218.3916	55853.979	15979.8149	35470.088	43884.4684	31024.059	56161.0336	31995.94036	25715.4665	27247.0443	23701.6598	35779.052	NA	23646.75943	NA	30425.631	34399.16073	33190.4603	30083.1804	58788.345	32298.408	94737.593	20498.43167	39972.5985	19667.6417	26306.23818	49907.64211	40265.9556	47886.51	37868.03429	25615.00655	64758.07457	37310.4914	36756.7311	48752.68783	23076.79733	92096.95833	40784.23467	32624.34	44490.29564	45742.87457	36299.1599	NA	50416.4024	42250.0837	19438.884	49011.63182	40595.06733	29107.0027	43101.49433	49238.99067	51895.753	40785.1806	26053.875	41117.24133	34176.2344	36743.46667	25693.801	15314.384	87623.1916	39705.0759	62974.1105	32774.2142	43835.2355	26136.7854	65145.3792	21112.8214	47724.5412	22940.5325	19841.64	65579.86167	28186.5445	47351.89333	37811.1161	28237.937	33779.2329	55846.85833	32165.5422	38018.45886	39259.3109	72615.595	52344.54971	31148.7315	40203.8846	23492.2485	47907.23	24331.91429	41847.8788	29497.28945	32267.2767	21519.856	42213.4702	32777.1663	30586.3596	41228.628	56964.7815	25492.392
C164	L-Valine	117.079	C5H11NO2	Amino acids and derivatives	Amino acids and derivatives	72-18-4	1	4848112.946	2040792.286	6519829.544	7636505.563	6266756.729	9219026.086	7108603.558	2516427.319	10857364.88	7892631.188	8696263.877	8411011.716	8935466.342	5267535.619	7579590.45	6667940.935	6733198.28	6509518.49	9794059.957	11803816.63	8160998.517	12439612.32	5931621.255	6731135.807	7698430.402	9527935.603	6742282.31	8749331.022	7546794.734	11335574.79	7181212.107	7694914.963	9234262.45	5433956.49	5826673.399	9877393.356	11224293.6	8747545.631	9562462.192	9873210.247	9874361.717	6913702.381	7985388.77	8394319.452	7719633.203	8147912.87	7768196.888	8278662.62	5329633.323	5597096.943	11063967.34	8121354.797	7571116.15	3366635.404	6497635.808	11397769.31	10334365.96	7759963.394	6917986.792	5682491.7	9034140.376	5415865.782	7519522.954	11435921.33	9737093.88	8702590.662	6490798.674	11365126.26	5083096.983	5809031.41	5664116.988	6696928.833	7017010.443	7684855.094	6093906.364	7550827.212	9301983	8773445.286	5889789.03	7394065.969	9256641.413	8940489.156	5954114.54	6950601.275	7668280.05	8226430.866	9688759.2	8623070.338	6674990.866	6302246.313	8540868.166	8709182.323	9674558.187	4067871.626	10062248.15	6069752.7	9127380.99	8029626.13	8388589.606	4996261.16	11956080.27	7947533.544	13535307.8	12273670.8	4614435.278	13938239.9	8557992.253	9190300.05	5386231.085	10098527.15	7928628.134	5677170.656	11545843.82	9589822.859	8675166.572	6603279.516	8304955.714	10125208.16	6619768.502	8940264.897	5431638.234	9228827.136	7408694.491	5386545.237	11792216.25	7420268.915	5573491.182	6377558.575	6043920.061	6697815.893	7652934.795	4294991.206	6387335.543	5901610.394	6841607.776	5728524.824	7382753.793	9617338.952	8150641.888	13237042.92	6567738.912	7515472.942	6151532.388	8679891.133	8682078.518	8367118.051	5117910.405	4393797.237	4112570.404	9748678.76	6873213.843	8493320.637	8858819.393	8972126.919	10130086.54	8485288.093	9219147.66	12292200.26	10133512.68	11009987.32	6499503.895	6512671.301	10451700.09	3446699.396	12360009.59	4163663.62	9546747.8	9461454.37	10408494.73	9281981.126	5567142.948	7717128.21	6584428.716	5857721.166	5887249.636	4876404.172	12653092.23	9702383.82	8661869.779	10917537.22	7725391.732	7483992.21	8423594.251	10051116.27	9587631.624	10248483.84	4415559.724	8031784.812	9621936.487	3470843.572	7923791.905	7100069.895	7108547.557	9326734.065	11986957.6	9646387.015	5966314.1	9877753.354	11982738.06	8211415.084	7521388.128	8020081.995	2930371.445	8226969.952	5654917.82	10954865.13	7674835.234	7064088.326	2984462.827	10565231.62	9059358.21	10101094.31	7297322.409	12308353.1	10035351.34
C165	L-Valyl-L-Leucine	230.163	C11H22N2O3	Amino acids and derivatives	Amino acids and derivatives	3989-97-7	1	429917.8827	732337.2075	214290.9575	265875.7512	110828.7778	634393.5836	181135.0436	228321.1375	341281.2524	569883.7296	325083.4575	401260.3512	318387.2075	228327.5011	180765.8827	586986.1296	67994.85	236386.9296	151474.5505	277899.8005	85823.678	544608.7512	1015969.563	567950.0078	229997.6939	151589.7075	428614.9586	367319.723	352252.3512	446833.4575	608931.7512	437694.26	317555.216	212600.5308	166808.4575	360769.85	237108.8885	276902.5512	474884.7086	61994.8875	266034.7075	1218085.416	136979.7075	263816.5493	361600.9296	195412.0078	270904.7075	1090890.957	509482.3939	219747.1439	434953.3512	188688.1512	444444.0836	695557.8827	245086.3897	445408.362	367225.0436	269387.5112	494988.1512	176393.2853	416634.3333	580044.85	821831.6591	322847.5512	350414.5512	592391.5512	462050.5563	213547.6362	346540.0563	226669.3512	276902.5512	224616.6439	379275.2124	227739.3303	151294.85	309864.7075	242902.2075	146110.9575	203084.8268	310690.6122	447048.5531	160649.7863	119054.2952	190373.4125	109527.4125	880088.5563	224077.1444	590533.0436	458306.9524	221032.5847	392135.3524	232795.3512	354557.4716	598339.9125	302184.3333	187462.9512	325857.35	254253.8897	253066.0575	226307.44	328160.3052	239497.1637	274047.44	185679.7075	186850.3512	240417.6667	242388.0113	280953.5505	302375.0221	344901.1512	320258.043	137669.6412	283641.1512	179591.1695	681810.9575	261191.5211	483917.5189	365155.452	488134.6678	464473.2222	203100.2316	483252.4125	219417.3897	135057.9718	322234.9512	285423.3897	535419.7512	183174.7512	181949.5512	211563.8448	270876.8939	249160.5493	262631.0505	256644.85	280633.1189	378011.216	188106.2524	569112.7512	266906.3005	222381.1512	254848.9512	199051.7689	265425.9575	181919.85	347351.5512	230729.1362	325297.9512	186261.8827	256488.5493	491880.9575	321622.3512	326523.1512	233982.35	494602.6123	269533.0563	192976.3512	276218.2218	265866.0563	251785.9512	183853.4575	208638.6363	402291.404	375568.5493	286450.3005	235207.35	176635.723	428614.9586	154633.723	329586.1512	305200.1156	351722.1765	375000.9575	230161.3268	308757.7512	282978.723	514591.3512	236470.9512	1086811.058	305082.1512	321622.3512	317282.35	246544.452	488330.723	240467.2075	917532.35	174574.9102	166912.1363	408544.85	444754.9512	259792.1524	361867.5353	338107.35	276255.8897	220615.3536	200471.223	201507.2075	372820.223	236470.9512	419025.7512	327946.1625	238269.85	246232.35	241865.5505	194997.3075	464358.1512	389071.8524	250920.7841	185625.1512	250437.7656	187025.5563	414669.85	262990.9575	269551.3512	279349.8075	705294.8897
C166	L-¦Ã-Glutamyl-L-leucine	260.1372	C11H20N2O5	Amino acids and derivatives	Amino acids and derivatives	2566-39-4	1	400263.5331	346612.032	377069.1749	525337.1794	478796.032	574431.4606	505852.6674	165696.6034	647032.0295	1119183.094	249254.3442	700036.7795	348439.4606	785379.0343	439201.7463	217409.832	860526.6891	536191.0108	1772006.318	572554.8936	322893.3189	1307839.461	2469764.462	653696.676	299467.5326	954536.6034	928452.3189	238793.7463	633592.6046	1192473.864	728062.2795	319457.2389	266236.3903	202878.1046	377185.864	659102.3177	2640881.598	1055654.318	466757.864	304693.5499	837670.926	366407.6357	709661.1749	587344.688	534729.2606	482650.1177	159880.5463	459383.0295	96591.496	580147.1177	484278.3177	400872.7474	265137.9308	261376.843	207791.1973	1637092.613	203463.272	274786.8442	179727.9617	597578.8891	768138.8891	357638.2795	410089.864	921750.9617	933825.7463	400825.7463	269860.032	633715.1973	129796.5307	359446.176	237575.4606	384819.7608	931552.416	363117.2423	656588.7451	1465108.829	646399.3624	398856.512	276308.596	763874.8891	134005.9387	676573.103	163756.554	832098.8891	544544.0971	278997.1749	459170.5097	87968.55167	512298.8891	269370.6985	779194.8189	204681.7463	226637.4617	507593.856	981948.032	459912.6034	106032.5307	113310.3177	532400.6034	942131.008	313772.2795	250785.2389	260012.6686	843325.864	837120.4665	917539.0295	380159.4617	326395.8936	100045.248	741945.7463	259982.3817	496667.1782	672503.4606	545538.3183	598797.1749	257405.4271	187736.832	329562.1432	723147.1046	1103776.603	205084.596	326572.38	1107301.602	182143.4606	1846695.76	352034.6749	500725.1749	226493.4034	254343.926	244682.3114	307070.5295	150133.8936	86769.64	387424.6034	801352.512	98491.01083	566579.0331	194968.5295	561030.3177	2134432.655	643126.5463	701866.9749	243175.1775	231484.032	132024.2606	619580.676	467911.5487	166541.832	148374.6891	331323.0942	269923.5108	157825.864	783367.4606	660717.1183	1540645.179	147144.512	1058090.889	253383.4594	845500.032	770709.7795	248870.188	655993.6297	656558.5108	391485.6124	1348517.107	65198.2795	449144.6749	247959.9617	549521.0331	426792.8341	201055.4187	279178.1177	256916.6674	96296.36517	698087.4606	379400.512	567297.864	746818.8891	470958.7795	3587424.096	674616.2606	414832.3897	547629.1749	325392.5307	273695.688	554394.7474	185397.6763	339951.3189	763265.7463	191912.2474	154750.176	220557.0295	385597.1749	207977.4972	534899.8903	383226.7795	145639.1973	806609.4617	717580.032	652969.856	220074.3442	415962.1296	59355.68914	585464.676	216901.5295	336969.864	289386.5331	229668.1296	135243.5283	469658.8891	335578.5108	811640.5307	490369.7463	1417271.843	120354.6308
C167	Methyl 3-aminopropanoate	103.0633	C4H9NO2	Amino acids and derivatives	Amino acids and derivatives	4138-35-6	3	3232258.558	4647731.156	5241649.119	4108542.439	4313818.427	4484019.306	3687121.663	3289879.864	3175203.742	3132680.322	4249562.202	3769200.947	3608172.279	2821227.105	3322044.448	4240813.209	3344249.658	3082759.199	4296182.094	2579927.073	4383462.577	3213923.553	5620933.608	4042241.291	1873267.124	2579134.657	4540426.91	3377554.524	3696114.643	3444509.837	5628608.406	4477986.276	3921832.514	3907153.408	2263118.923	2680312.189	4352757.892	2599320.843	3334697.396	4230913.249	2277076.235	3645300.871	2059921.977	2145001.811	3731171.496	2840611.8	2722982.753	3304145.793	3165201.36	2672641.797	3596721.745	2590442.367	5156996.091	3832331.983	3641710.579	3006206.203	2740812.314	2853650.72	3360205.267	5503548.124	3108938.43	4996364.231	3772544.863	3421549.142	3651578.906	3592380.367	6190511.303	4311484.849	3441191.364	3953909.626	4419133.767	3592775.563	4169089.041	5034042.855	5605957.991	2296444.282	4848390.487	4308744.472	2632604.189	4300388.28	5076308.592	4551186.782	3331124.662	3825625.41	3044039.673	4646321.012	3637143.92	2647541.06	4143471.245	2719829.033	2486527.919	3373826.898	2791013.144	5399034.798	5156343.82	3724446.141	3048559.005	3069559.033	3737468.142	3853704.045	3546148.893	4036804.776	2729886.019	3398629.811	4843343.599	2708411.761	2520258.779	3194275.92	4971593.545	3800224.588	2916532.792	2513678.763	2144824.977	2796445.058	2579531.179	3800475.908	4773734.577	3849235.182	3240641.366	3167492.173	3086773.015	4379172.6	5869835.039	3364219.11	3226686.041	4585071.263	4323360.487	3343662.075	4263268.768	4546268.597	2687588.402	4462980.102	5051762.192	5094864.164	5191298.251	2645840.6	2721630.353	3660171.025	4536696.823	5025245.502	4761172.596	3310622.031	3476533.476	3812464.391	4300451.497	4051076.566	3767337.479	5288979.826	3929131.563	3520255.214	4169676.847	4254731.153	5827434.53	2959147.398	3902847.372	4030492.708	3687482.262	3823990.27	2502106.199	2912201.399	4471630.774	3875654.233	2608522.272	3962601.444	2940886.286	3131523.076	3400924.778	2368500.283	3255497.92	2528236.143	3098958.217	3180218.48	3781728.917	4236690.696	3810437.333	3734602.98	3409204.496	4183269.057	2448562.952	3436017.672	2497360.26	3874349.371	2767383.406	4556944.812	4042627.098	2604954.684	3489315.878	2790425.24	2769468.477	3812433.392	5050689.449	4045794.524	2591081.905	3892929.231	2256272.856	3162253.242	3087560.601	4038550.07	2529446.216	3751110.851	2993887.83	2832737.965	3476782.809	2519684.033	3040509.132	3137566.276	4762073.156	2829690.959	2940796.838	4355665.562	3373792.556	2306574.634	5370597.215	2640846.182	3010155.814
C168	"N,N'-Dimethylarginine;SDMA*"	202.143	C8H18N4O2	Amino acids and derivatives	Amino acids and derivatives	30344-00-4	1	723735.415	660961.8315	721905.7183	756400.775	948065.3331	663153.2653	466287.9802	443196.4087	347526.59	339207.2862	540101.2176	754413.3968	422006.9717	774102.0497	505700.675	414500.448	581857.562	564377.1227	942041.6869	367296.7704	534349.2189	613219.8113	788227.948	514668.7308	829983.5794	785077.93	852579.1774	376044.114	455493.8137	682928.4768	624440.504	505976.8002	668486.0293	554814.316	643177.0314	400212.925	1029874.532	NA	447337.4878	581741.398	711311.4382	323662.4426	874227.1804	846748.566	433648.137	348148.604	689134.0159	533560.375	500915.571	944521.89	602688.7454	399570.42	186947.8485	529566.2713	538452.6644	1027585.545	518456.8904	316975.462	455680.0053	577253.551	629267.4158	540943.3218	795970.8	861305.775	648863.3445	737955.4227	496529.9173	469890.9367	687223.0517	554575.5133	657525.2017	485955.2871	588509.4081	449645.4849	847073.9537	802087.552	NA	462366.628	497393.9159	526362.8464	369540.017	445352.95	521244.7179	355848.5512	453953.5698	710772.1268	NA	490846.2103	375069.11	781391.6331	603622.7562	795869.3402	783334.7306	775734.169	687061.574	405873.9958	NA	618746.0415	899941.1318	696237.7255	695409.9675	467291.146	353646.8125	612209.2773	697946.6308	397133.819	517287.9114	566237.8193	597405.4081	NA	493125.525	640316.625	656589.0886	347848.4325	548821.0434	395706.2078	379272.1365	1122325.922	864922.4567	489137.758	403012.684	644655.2647	851031.1712	565497.9044	1071366.033	603934.2414	658038.68	403219.1328	466611.418	720846.9253	625166.451	464179.5253	527474.038	374663.5826	650426.0068	556043.5464	751651.436	767750.8757	848244.1611	768859.422	588038.7539	588904.8953	510885.9489	402560.984	423173.712	618604.2433	914488.5171	598192.1267	683776.3638	595707.6536	525422.8045	564734.7627	852612.9786	565277.8362	815255.0857	491302.7493	933886.0044	541589.0438	559694.1172	1127497.044	552050.0873	756285.4782	455569.9456	517095.1611	636443.6693	444910.2947	386535.4449	636373.0023	612167.4056	658524.9584	544045.2906	496532.11	456107.4045	426400.9708	NA	951221.6136	504887.1447	1039002.181	485526.5653	1022837.868	650560.4672	622024.7924	640911.1843	722078.4523	NA	671447.3429	490321.0695	790637.9609	1184493.886	551859.1173	587228.3494	558552.1578	526136.7706	685469.554	249381.65	495705.4917	562043.608	693840.0433	836493.0964	456474.7992	477445.2891	NA	239381.6236	618620.0068	379269.5383	479777.5244	467534.83	576797.9553	674834.7023	452759.9792	608021.8255	306902.7162	NA	522465.7568	502348.362
C169	"N,N-Dimethylglycine"	103.0633	C4H9NO2	Amino acids and derivatives	Amino acids and derivatives	1118-68-9	3	6520435.511	3219675.73	2323499.283	2214950.685	5240534.907	10138774.42	6645863.17	5237423.017	7677952.695	4483689.767	7036861.739	7490889.087	7126152.867	3251630.228	8278552.679	12286013.5	3099103.317	2671883.672	8039030.783	5121622.292	12790513.43	8716378.495	2368234.615	4959189.618	4407065.883	2630175.192	4311387.672	8861488.184	8750848.553	6461312.567	11670235.45	7565094.108	4022016.4	7408755.917	3554313.785	10550954.28	5634652.418	3204301.883	2876392.146	2239218.754	4880699.274	5751783.71	3291197.988	4523853.281	5716517.136	6579901.104	2160665.15	8397880.008	5713429.947	4298714.331	8490287.726	5051986.8	11950630.19	4095338.933	9398069.244	7515043.533	9382645.152	8138680.033	12872020.28	7455031.183	3062051.85	5482085.301	8622365.896	4270835.252	5082359.005	4834438.079	8284545.575	8790906.072	6683562.662	2041770.335	3155046.396	11676419.32	9038034.5	9053964.85	8544960.837	6167850.616	1823925.879	5852443.598	7116338.433	4526580.308	2844510.437	7607596.704	10764883.74	2147070.864	5083836.967	5058370.768	3665078.428	6446073.232	2612720.299	9042010.515	3764213.067	6903939.657	4402089.134	1864954.923	3957863.542	4493167.072	1954370.11	2363723.373	8302026.865	5421773.261	9810410.304	2454662.983	5099359.124	4504701.474	4281449.199	2518704.293	1723171.106	5987336.564	9321489.81	7908279.328	5560970.047	5193611.55	6413434.503	5837525.933	6538275.357	6475345.528	2301830.756	8672167.243	3016667.191	8066164.62	6640109.823	10270461.74	8950151.962	3328274.179	9122626.383	5137796.6	5867125.825	2183656.16	10668878.55	6930973.672	7097973.184	6837661.617	2886788.477	8783837.485	2923627.526	4037108.337	6185330.72	8622862.238	10140139.8	3959898.915	9084479.914	7022092.75	10553183.4	5167427.893	11525439.94	3310209.051	6540016.157	5456040.86	8745829.3	3034382.762	3045842.367	4338977.411	12442423.38	6704144.452	14954495.19	9844133.383	4857441.4	3988386.1	3461025.756	6789616.555	5359322.448	4517097.55	4909660.417	6164235.7	8515659.068	3407056.76	6034895.816	10053578.96	3871051.35	2019787.956	4784768.827	5482276.888	5830926.8	7061223.283	5286076.996	7723643.033	6794762.971	9841705.673	3543310.478	1919573.152	2593881.705	1908472.421	4819921.738	3917590.107	9605611.317	3332521.517	4786780.085	7212546.354	6257379.223	7708077.4	7819981.897	11202583.07	10630203.96	2755707.448	2600835.519	10484623.2	4305812.716	11720083.18	1495160.799	2213223.183	3930068.3	7548500.242	5958016.871	3515108.95	4567417.41	3800647.516	2283931.614	5818905.633	3492523.352	10625539.4	2471646.578	6364500.766	9909406.909	3943605.245	6974978.361
C170	N6-Acetyl-L-lysine	188.1161	C8H16N2O3	Amino acids and derivatives	Amino acids and derivatives	692-04-6	1	404534.572	391929.923	1345272.291	305574.1477	384044.251	757920.7045	358060.1698	232671.098	1316796	472370.2842	437760.3	961967.655	1039515.432	568306.3316	831900.355	511958.2195	666391.6403	647792.55	714236.5982	1217521.168	355330.3787	803120.3333	638275.6823	311968.3476	296440.9773	730714.0533	697500.4427	1042454.971	754365.3157	1280172.559	506519.4403	426884.448	1083999.298	527692.7517	1991698.632	965638.66	1440708.545	919652.2272	544425.1423	2385578.25	926498.0515	556880.7965	880685.715	849995.3747	422073.376	724120.3445	215728.9937	180724.9948	244195.4247	1103522.017	522186.049	1978799.678	839551.0528	454579.9883	596465.7953	567110.5837	999921.734	657878.5808	290347.8536	322922.9897	481253.0992	254468.533	615146.8295	712233.269	1513616.967	217876.9712	517826.386	2435189.529	253979.8427	477263.472	867785.6705	583912.6587	521980.928	439505.1296	400866.06	426954.444	580008.6705	836736.8703	307799.0358	1959401.392	2297931.241	748139.84	661069.4033	934841.8304	414649.4072	1099453.621	881184.12	328140.6198	582231.601	338490.355	440866.217	705101.9202	602248.7427	366030.6468	623369.9076	196602.5903	358305.0208	493739.5808	318474.1922	457248.288	580393.8296	786636.5234	805442.6548	969201.5812	382077.8033	376195.1328	583849.0305	259989.5872	272514.2608	445237.0242	358888.8107	511463.5528	694901.242	448798.0198	314363.3405	336711.8148	460516.5432	521560.3228	279136.158	544913.4866	337155.2263	335376.6862	707459.6667	527486.1956	848214.8768	385512.1344	351832.8322	230446.81	577340.3708	373466.089	166412.2782	369928.101	345940.8068	755420.5507	326481.0488	242595.3222	394910.3335	235298.8085	1393099.884	1843518.677	371046.6272	359264.152	1563878.101	899012.016	1332587.615	860663.036	822117.28	479322.6746	232131.0295	831867.7952	605580.2912	597135.2533	1140269.189	429597.4773	1378641.119	899011.0066	1282110.096	785718.9788	913871.7472	422554.5193	406372.84	215736.2596	1239182.445	168342.292	664857.648	430244.6372	874884.9513	978983.0948	737018.4313	503972.379	265590.952	251869.96	655960.06	293615.806	433223.61	175697.6468	576005.2422	1118536.45	577825.5336	696869.3867	919223.432	378966.0922	312363.877	1006428.283	824642.6125	935634.3447	428708.848	410143.9424	566357.8253	496027.972	267323.2987	392710.1696	441756.128	986375.624	860196.3632	372901.5715	181955.961	1304562.838	405277.609	524244.336	369624.1068	625671.3813	212177.9424	2070012.918	270701.16	561995.8592	697432.4537	322978.1072	418479.824	908369.2253	792455.697	700101.7322	366947.182	795700.2816	143142.0976
C171	N-Acetyl-L-Arginine	216.1222	C8H16N4O3	Amino acids and derivatives	Amino acids and derivatives	155-84-0	1	115763.26	119938.525	99690.15	51840.80667	115625.665	80940.22733	59072.349	82560.9575	85701.89467	50511.78	60833.48325	79633.348	74110.295	54811.14467	66329.8075	69093.62533	88086.6875	48774.636	113123.4693	79027.71067	69425.75567	117272.628	82886.8075	72795.70333	61973.21	107242.2083	57360.368	72775.60667	111520.4632	92998.004	387110.6575	77988.4112	93286.5675	45888.63067	110513.7425	68260.43	157177.5667	71777.96	77036.085	130990.8425	82212.84675	34893.96333	81346.498	62473.89667	71374.43625	47606.3676	48727.797	32952.956	57649.03575	85487.8728	43232.5775	46507.01	53875.95375	101941.19	100111.41	53648.8315	74140.529	46499.904	51963.8064	204318.52	105373.035	117385.398	84835.905	113764.525	55605.8495	53532.864	236671.6308	140985.2742	68456.27	31457.25	54830.202	84185.0625	124594.0835	114639.922	226249.104	56073.732	131353.2617	255369.8656	55258.1575	149534.7867	131923.298	79421.61667	146901.9815	68910.415	63139.28667	111801.998	66290.28525	78699.748	144217.8033	145491.7596	67275.9335	54829.341	65797.34	72396.5276	162518.545	48518.24	57649.03575	52514.594	64854.82575	92380.50333	242148.5675	126274.19	85134.368	70534.52	84738.6	38787.998	53060.0464	63640.815	84705.50367	99461.425	56595.336	68564.5695	54363.54	113647.56	67284.595	73083.2784	72765.98	158292.785	44686.6255	87869.232	51176.29333	156219.5316	206070.97	57321.772	169852.0575	105028.3275	84069.66225	66589.5645	64684.655	146591.34	122214.33	57854.4816	93937.41	169240.456	99691.02667	64149.058	130664.135	140159.5624	186716.8165	252224.1925	148866.2875	102742.1528	105007.1333	79117.5396	187352.2538	78326.892	68429.36467	109617.9077	127528.0976	180718.125	95420.6845	209645.8875	319885.0795	90933.26775	276602.06	112923.9995	104930.5224	150678.822	72080.5165	83235.20225	93017.4875	117373.6523	99882.083	82135.1124	245288.7082	53545.837	116012.66	73999.56	106270.3884	51473.42025	70736.9652	67963.208	75120.33667	78010.205	127585.6602	128334.5768	92192.5092	224419.808	57328.5768	99900.9396	100802.2135	68389.7676	42739.466	69730.518	41192.04833	66913.36425	82257.756	60009.1932	162989.3573	56250.38725	64161.692	44953.80975	122388.833	65108.06133	NA	69884.535	46683.0525	182277.7344	59483.9175	66792.705	59484.775	91933.8792	83030.94	227902.5785	82164.028	38216.53	125043.5472	48727.797	73135.3175	93703.8565	52517.189	86158.248	95736.52425	39815.16	90064.67183
C172	N-Acetyl-L-glutamic acid	189.0637	C7H11NO5	Amino acids and derivatives	Amino acids and derivatives	1188-37-0	3	NA	NA	77222.745	53088.768	57467.163	131026.701	NA	109064.55	102615.75	57739.55	NA	101106.9135	61843.348	117938.7898	72229.9725	90171.8415	NA	99463.896	133880.617	114321.5702	79098.399	87196.892	76803.246	NA	81170.784	NA	128895.0415	171883.049	111902.284	109202.632	124646.478	91705.9935	97216.912	177527.6165	66933.7005	93987.6195	95231.026	90703.96133	102864.2478	NA	114137.562	95884.59567	101579.0655	74763.1185	140204.61	55355.706	77258.23433	88274.83667	52757.40167	118906.653	76998.219	84731.9355	145079.5248	NA	NA	NA	103695.5755	84020.307	64351.392	NA	113920.74	176197.3452	NA	225506.5791	NA	151116.9833	NA	75074.9155	NA	100045.8433	124953.3378	86404.84967	178177.872	162824.118	111075.7305	76899.5085	95467.4712	NA	74676.5565	118349.1465	NA	118822.0157	NA	78717.427	81729.28867	61801.1475	88059.66	NA	85356.4635	NA	66223.365	NA	66224.8535	100509.0948	86585.291	NA	77185.5525	NA	114633.873	NA	56623.79	NA	83072	97920.9725	85711.3488	100393.7805	NA	87472.9735	119599.909	78027.32	81831.431	97922.461	56396.1104	NA	NA	NA	78056.6356	79568.4096	57768.685	NA	NA	49131.79	147270.5784	NA	102531.675	261770.6614	118509.655	83388.726	NA	NA	160865.4782	NA	NA	82581.82075	NA	NA	NA	NA	91256.95625	140977.668	104801.8388	112695.363	57934.5684	127273.034	119596.9005	126108.777	153239.548	89598.01067	NA	105107.079	71641.74875	113571.6285	140226.5395	113486.8487	104651.7055	69654.79333	122109.8817	163221.98	NA	90638.33625	NA	119670.075	75418.732	72100.61333	127683.164	NA	94903.5405	160304.056	148391.028	86328.396	151658.375	140688.396	99879.62425	NA	NA	123211.6987	122840.5164	126616.51	209712.5198	129011.092	112311.69	72989.01067	67993.4775	203917.0751	121309.573	90806.422	110502.059	110465.145	156068.385	94721.1248	NA	293602.3315	89237.7915	122034.6875	101412.486	106386.0747	85530.258	100782.4917	155391.135	NA	111564.1674	53396.36225	232817.9242	130298.727	135705.258	127060.4205	NA	114397.137	69407.67	114197.2563	136842.69	99302.67875	120377.8013	105117.3413	NA
C173	N-Acetyl-L-phenylalanine	207.0895	C11H13NO3	Amino acids and derivatives	Amino acids and derivatives	2018-61-3	1	39012.49371	64228.04625	123557.1771	NA	70812.59657	51599.78057	NA	49116.64457	37142.476	39646.06629	63819.3816	203204.32	74572.02514	133494.3337	31517.22514	NA	99730.66971	51461.16887	136727.1771	75507.20914	44590.42675	114156.4474	135721.1709	33218.31086	74869.56514	117805.4537	34064.80457	72131.46286	104770.1732	NA	77570.37486	55421.1564	158703.0315	79471.09029	84058.4712	45308.352	103856.7995	127711.5651	148728.795	168601.208	278429.7474	71234.6976	91380.79657	NA	154517.5903	111003.2331	37030.10638	41451.05175	27149.24114	201299.9617	68493.4712	58989.33375	92200.03429	61233.9744	34640.70825	93995.73943	57444.09829	71095.13657	33191.84267	79562.448	72027.70875	59199.3564	100888.0251	101302.0663	88427.10457	80540.352	77611.58283	NA	30458.472	50970.63771	104072.9228	73627.6868	100584.1964	29599.93029	129186.7474	62090.10457	113255.7806	210794.9732	77070.53486	55252.9575	91854.49371	69895.488	111001.676	51118.0796	43420.92343	103894.4213	65821.5216	26476.08229	86398.37486	56446.46171	92827.17714	54876.01886	54919.488	123021.3317	99152.53	50945.13112	54159.36	40199.30287	95296.3228	161180.3589	42655.74857	81928.65371	64997.476	101507.5724	111984.7794	164845.4949	92950.446	32198.384	30736.53314	94135.85875	56175.4732	61549.17787	57398.59029	83610.0868	54852.3648	85928.60571	100980.0343	91380.79657	69622.89143	83885.59029	57262.06629	NA	63117.5732	39109.94743	78996.9228	85291.74743	35934.6636	30583.488	48014.96343	67399.488	120909.9564	47910.3636	40110.59657	160349.7868	88983.168	42677.04387	74886.56743	62443.73314	54527.95486	207603.6366	119201.5903	126113.6677	61813.09029	63920.31086	86666.67787	63654.51086	145057.9474	89691.46286	47069.10637	115509.2411	62667.168	88930.73314	NA	67774.54388	102152.812	113905.5765	143081.295	67083.744	55231.295	NA	73280.67771	179784.0211	58035.80571	58374.3312	124787.4868	40115.16914	86359.22743	91608.67886	71439.168	73327.24057	69908.36114	NA	86408.16171	27579.168	NA	141494.1311	69125.96625	114865.0971	54571.46286	127830.5966	64022.67112	106952.208	24162.978	161454.6617	62648.77475	73327.24057	33434.16171	61862.09829	NA	44559.35638	51132.66971	29500.85638	32125.39688	NA	65264.79387	NA	45200.29725	80108.946	139288.5428	68940.74057	40339.22514	82156.39029	26366.295	56010.13886	49295.5868	73970.74286	142884.5977	70698.09829	32833.24229	77139.81886	158141.295	38764.4415	64291.94057	68057.79543	66820.37029
C174	N-Acetyl-L-Tryptophan	246.1005	C13H14N2O3	Amino acids and derivatives	Amino acids and derivatives	1218-34-4	1	408977.4549	512241.1416	838001.3958	1216367.023	469566.3257	543097.0174	724640.5179	617525.0869	636669.9863	252287.0229	439950.9706	1151477.023	298376.5956	350308.6164	216055.4606	603157.6646	378175.4003	753908.904	308794.3176	465796.5799	496235.1435	1495335.274	1390616.283	786609.7206	358892.0229	516598.896	571871.388	166168.62	596403.0264	1728533.894	170599.936	562682.4639	1321386.892	927657.9639	598587.7371	563494.1657	230635.1749	621986.4103	620516.6897	453286.3935	1897023.689	382296.6345	647244.1092	541701.8811	845140.968	472055.1503	667795.4674	520732.1446	140396.2092	704304.7674	843697.7656	424259.3176	317959.9488	837810.3625	200745.45	674530.3668	160144.908	630116.9176	270389.5524	546156.62	528282.62	917994.908	134084.1375	380712.5176	487900.62	525634.62	638367.5675	340421.61	736707.95	413094.62	407875.6213	385217.8687	504265.6996	147901.5584	299949.2462	452814.62	595595.45	415193.1112	446032.7176	667964.62	720036.7488	327235.3875	703476.7488	530007.95	286652.62	753027.9863	303515.9176	346694.5092	661744.3092	683811.1512	374107.2463	578038.6092	545245.45	1551529.309	479018.7309	384192.8625	573531.1656	433945.45	663330.62	410757.95	264856.6213	764186.7464	535030.7656	362782.62	892192.7188	444273.7211	370726.62	822373.6491	194847.66	849649.9344	213549.9862	412082.95	325048.62	448701.6375	588920.9404	339612.62	1087170.45	1580529.709	571745.45	970868.5416	521662.62	370365.908	489078.1416	388484.5416	245132.95	401254.3713	248844.7416	255586.8712	273620.45	384981.6375	289832.5404	344143.9416	379094.8668	868964.5176	807188.7656	397020.1668	263020.45	795353.4617	339132.1183	284263.3512	779343.1524	573583.3383	560698.9014	211128.1668	522799.3512	636879.032	1028545.182	913829.1435	689679.1817	1147045.388	840459.5404	619544.5889	170438.3246	154696.6668	130132.3668	349217.9048	707571.97	214868.896	390643.8257	470938.556	452644.4606	628196.0309	637336.4003	730187.9656	363686.904	764962.5752	696448.2451	209065.6581	582248.2668	948711.925	389038.0869	931351.3067	523972.3309	728540.1332	1305722.979	863434.2451	787560.6525	2450372.776	413849.88	853475.4674	591980.0469	2139978.705	323380.3166	712428.4606	283599.6263	534554.4081	1240369.539	457242.6404	1235047.968	289729.974	2165196.275	309068.4686	164363.7463	432387.6503	350236.3996	402017.1908	504831.7843	989701.916	560255.1656	1343110.659	1156319.525	512564.4526	419432.904	233234.5799	507088.3337	372696.896	540203.916	498425.4617	629521.9025	254081.4434	657848.3246	385338.1114	330825.908	646653.2764	219345.388
C175	"NG,NG-Dimethyl-L-arginine*"	202.143	C8H18N4O2	Amino acids and derivatives	Amino acids and derivatives	30315-93-6	1	567585.294	589365.7121	609192.5429	799545.0429	728023.6679	538729.3744	579143.2929	344927.294	532703.5429	474213.8855	511320.8297	821840.9008	380019.8297	594850.8554	440547.294	516060.3818	616704.8554	540898.7929	807186.1143	446666.4714	383923.8252	711892.6508	962556.1646	508800.7304	506404.124	603046.1054	661839.294	198871.9	414712.9	661379.1154	650168.7929	517440.3733	626147.3918	529337.294	639908.7594	297844.1228	930941.294	575875.3112	961693.4077	532654.7917	649723.6099	401898.9677	701251.4677	643222.8103	447336.3554	370243.301	540908.6343	442498.6143	488995.5429	665436.9224	566032.2349	468507.4179	261512.9677	667438.2918	421102.124	521442.8925	366942.124	431628.7929	322326.5257	483873.384	432547.2228	493647.248	435090.3925	574867.3348	569676.8297	696544.9918	517626.4737	445941.6343	516313.0429	598098.6143	343247.124	454887.801	488950.7918	402299.294	762089.296	763993.2857	1058565.418	324221.6437	417693.0429	505471.8122	356734.4228	427932.9222	592119.1054	650958.4011	586349.9726	683125.4476	731101.4751	478611.0647	335165.0971	675898.6143	626540.4284	548411.1054	528068.124	700706.1679	639773.124	511112.1429	520004.4476	571878.5463	881684.6054	618592.4767	1061626.792	422067.6679	413203.2459	519044.7929	654835.6937	421866.9334	414018.2571	525191.2304	458220.1433	588021.4804	406027.9677	587338.5429	612667.7391	333230.7459	650168.7929	355172.294	489678.4804	1028777.186	637434.0257	607224.2476	410545.0429	575316.9677	876412.24	511526.5257	820327.9543	450213.124	532728.4228	394168.2476	326967.97	491727.2929	575045.6679	459416.6476	550168.2571	412196.5257	1078396.361	522382.5429	945197.7929	784707.4804	722367.124	957490.6679	449313.3103	435726.4179	578087.4918	324243.2228	409944.8029	442555.7929	660649.6343	583766.2389	630746.8286	638331.5918	356057.5228	552686.6674	737152.2228	1093221.504	719828.4179	495309.3829	691225.124	388592.8925	555291.8476	656021.124	587250.2476	637251.294	370931.4677	392726.1252	593209.301	404334.8297	402736.5257	599725.1545	680639.4019	365572.24	381988.3855	668566.3678	481170.1444	407725.9804	710009.1154	892845.9918	495141.9804	862222.24	486714.4476	868708.7929	520310.8114	535745.9749	372650.8925	547701.124	364587.3667	610556.8111	435726.4179	618937.9	1257386.477	542264.6679	516995.9804	386478.5246	349340.124	444731.4228	350055.7515	282977.1425	811160.3137	551155.8084	679918.301	394669.6697	320229.124	472960.8103	199281.6425	402779.0983	375627.9179	336117.1425	516256.5257	381779.7228	585252.8476	424129.2476	464522.1343	374356.5257	362022.8925	387871.8228	536192.124
C176	N-Glycyl-L-leucine*	188.1161	C8H16N2O3	Amino acids and derivatives	Amino acids and derivatives	869-19-2	1	369292.8376	467724.8507	119234.4037	165783.1413	69947.797	263507.3732	124864.8916	114742.463	142278.7212	173362.8337	196468.93	206295.1855	164010.4932	107932.445	123949.0508	982190.6318	73355.485	157981.3521	97454.876	137300.8065	74961.85391	318739.712	322457.7319	232671.088	92443.85725	94649.06144	614230.3141	157759.0809	228797.634	170012.019	245218.467	235815.0104	184641.6734	144605.276	54188.424	151169.6784	98972.335	112067.218	172677.9934	73265.688	154820.303	426754.3445	76759.601	143818.543	213439.8768	NA	115533.084	347786.3686	353702.2195	131161.0028	254366.9431	123533.3534	251735.0907	354921.2445	231045.89	232170.6635	303511.8771	138593.0442	491638.2764	177609.663	142234.1262	335563.503	372407.3137	151581.2031	184118.193	641314.5022	182008.9034	174996.5209	169104.8205	121405.1367	139905.0081	178373.4994	172360.3767	133371.144	58696.60333	66998.15625	67116.14775	NA	95762.11	84665.472	134220.3589	93637.3447	66095.69244	116452.4555	129583.3458	208826.2971	106839.9767	146426.916	156521.4352	104707.8933	105660.1495	142870.112	130803.1573	185831.7998	92336.554	103636.9554	126916.7467	102637.704	164930.5412	123450.5205	115169.558	117879.622	NA	95586.8986	NA	NA	118657.481	146746.08	137704.335	180282.115	NA	118153.3881	NA	78514.12013	135609.5945	96920.45367	106000.4251	185721.4667	162417.054	117832.7567	121269.379	166662.8172	142351.209	81395.98822	107841.5719	106765.6205	180239.5759	105500.1653	90394.848	84762.594	83736.74337	191777.1492	119470.8801	NA	94542.78	99545.74171	151180.5295	164530.4544	153601.6119	98233.41111	97713.08022	117525.793	143047.827	82060.08	NA	114038.232	97701.10333	101959.2932	192802.272	123359.4607	100071.8023	114737.5913	128916.6276	161887.3001	118846.875	105257.1527	90221.09737	126547.8709	153432.192	113518.4435	112625.7411	109875.0482	89538.92057	147051.7553	87279.31467	88584.5345	92698.87486	118260.3489	331284.3136	NA	125424.8889	153336.6526	135086.2824	146767.1975	143908.8035	287271.4231	NA	379019.7642	79606.296	144559.0752	141942.0943	103797.862	256673.4429	148095.9644	279926.402	105467.4775	134912.654	270590.7756	158625.2108	192312.4718	133273.944	156392.876	134125.028	101311.826	81799.896	82775.4016	146137.272	105764.352	104460.768	92666.93143	102219.5556	173410.8829	192410.6105	125467.3805	149282.5967	134141.8338	96171.53778	127998.3886	203204.1313	112861.7378	213782.2401	153219.2066	175521.0324	129104.129	269027.859
C177	N-Methylglycine	89.0477	C3H7NO2	Amino acids and derivatives	Amino acids and derivatives	107-97-1	3	8126.9815	9226.306	9271.79125	23749.91625	24082.2464	17403.48	12963.89	11028.2315	16494.38875	9287.4815	18121.46875	18207.1452	18134.512	11023.48	6325.6985	15083.48	16952.71875	14727.76375	31123.3452	20858.7925	15571.773	19325.013	16144.306	10443.48	13417.162	9287.4815	14033.845	9336.162	23310.48444	21579.162	22693.164	16368.34375	19151.7315	28187.8452	12167.41625	17885.84283	28389.4956	20854.29125	21513.984	22591.66625	18210.2464	13923.48	24054.711	21461.34283	19188.65067	28985.6968	22320.6464	22591.66625	15905.51375	17383.2925	16445.8452	18081.162	25256.6464	10538.0115	5285.348	17410.9815	17568.513	15749.162	7693.9956	23170.79125	20883.48	16368.34375	11679.0032	20552.044	23749.91625	27224.66625	24549.59375	17154.7956	15642.16625	17403.48	9867.7315	9226.306	16332.162	20107.943	22012.54125	16804.0425	25256.6464	28271.88875	13181.292	14493.295	15670.2315	19761.273	16619.292	17403.48	6966.4815	10379.306	16823.48	13261.806	14030.84375	17808.928	11926.1565	20357.152	13904.79125	20756.306	26066.41625	19294.345	13797.4485	9853.0425	19700.2925	17675.89	19723.48	18776.211	20128.45	17958.66625	24908.16625	26899.344	18571.4815	27145.854	5159.292	15663.48	9952.7615	14483.91625	14991.306	20854.29125	19111.164	20555.5452	19116.91625	19188.65067	20303.48	7662.89	11749.0452	13926.96	21708.711	10538.0115	29547.5425	9402.2464	22295.211	13210.42667	15220.0115	12647.9485	27803.79125	NA	6374.79	12167.41625	17983.48	5159.292	12282.67733	31805.13875	15905.51375	22596.5425	17157.6968	24913.5425	25437.2968	14684.5452	19700.2925	12188.7315	21122.211	21472.7315	13510.3452	16525.9	20892.4815	15843.711	28081.1236	14472.0324	21854.13444	18705.84375	19544.9485	22320.6464	11023.48	9957.013	11631.31733	25139.345	28646.345	13261.806	17820.6985	11498.4485	13552.89	22472.60967	19143.48	6343.806	19874.59375	13510.3452	23380.84375	17991.2315	18563.48	25133.96875	18334.443	23560.88875	19696.04125	26694.9815	19544.9485	14503.48	9957.013	19290.21875	20854.29125	22043.48	16430.211	14634.7615	17289.92617	16727.89125	17439.64933	12768.9815	18853.89	25678.164	22228.34533	19381.3452	21058.67867	21733.4464	19143.48	22623.48	23864.3675	25057.84983	11049.984	20872.29625	10955.806	11603.48	20479.68	23413.5115	13446.46875	23170.79125	17383.2925	11116.512	18928.6956	19290.21875	18189.711
C178	N-Methyl-Trans-4-Hydroxy-L-Proline	145.0739	C6H11NO3	Amino acids and derivatives	Amino acids and derivatives	4252-82-8	2	210862.6508	263183.4216	137184.0658	221917.1125	308756.4204	177529.43	211921.8204	185972.8158	99531.58937	168982.898	222043.7056	221290.6857	129294.2344	228370.898	157189.2204	130097.898	146160.9179	144944.898	138147.0192	37341.264	216503.4804	118806.7388	129139.6216	120450.1151	233027.04	255643.04	223448.2325	80353.73333	243992.3733	160723.8196	454483.1091	241772.1679	322805.7067	314581.7067	112511.8827	112744.2758	244635.1444	173417.0967	242455.1054	230952.3167	197951.3109	208289.1667	182463.9113	206259.4179	150941.4804	303406.5257	299362.1343	255643.04	350904.3733	142545.85	320723.7056	193750.7325	127900.7337	204599.7758	113143.2325	250317.3992	150146.92	195308.9	291792.301	328803.6492	220691.04	303078.38	392024.3733	290121.2167	109489.2216	306694.3063	353703.0422	140719.4825	405011.7758	360443.3996	258384.3733	148732.01	231921.801	74388.6204	271452.8378	264932.2971	175433.4204	237824.3733	252922.2078	156584.4008	221996.6508	268664.3733	355387.3918	354908.7758	406582.8158	357072.3733	386607.0667	409190.8744	263772.8394	438330.7571	200832.6522	303753.1789	351429.4008	341309.7067	119838.048	354212.9008	402340.3158	343496.0362	482157.0432	375751.2746	386645.1204	396661.2758	130848.7769	233027.04	292949.4062	233807.9543	156963.898	304962.3167	342028.4677	196019.04	250994.898	222007.898	290595.04	223345.7513	204928.3733	298932.6204	359128.3733	319627.0429	340116.9825	288374.2918	493387.9008	357856.301	304987.04	313852.1508	271821.4179	234583.8192	290586.898	352960.3733	360557.4867	316245.0971	473010.8114	168916.0217	376133.898	102873.9	215644.898	272091.04	265251.0204	308388.7056	77933.548	282261.3407	254747.9804	204453.7929	125270.0258	260108.4514	89854.74743	77860.12333	197389.7067	275236.1054	95923.9	221376.3733	244481.5418	279991.0418	187502.3407	97587.39917	283697.31	189290.5257	214342.0258	261317.5929	154842.898	265709.0206	283741.7067	243021.9918	61517.03625	286233.4011	179571.04	168295.7325	172574.0246	171429.6054	199394.1154	280315.04	203530.4216	311589.3637	182118.4567	354212.9008	219909.0258	183084.1355	141793.9	293155.1444	123723.9	280688.898	259069.7067	298206.21	297656.898	254957.7067	255663.7633	296077.7067	187663.9	314556.2056	123714.01	371464.3733	338568.3733	181294.256	135686.7349	332299.898	211199.0467	291965.7067	520361.898	396001.3918	272969.7204	249147.4216	168203.9	338066.3554	168275.898	191378.1507	339226.2056	143530.898	579073.4278	342680.3733	413990.7863	272776.3733	352988.9856	312540.7325	329641.4677	208413.3204	298254.8925
C179	N-Methyl-¦Á-aminoisobutyric acid	117.079	C5H11NO2	Amino acids and derivatives	Amino acids and derivatives	2566-34-9	3	4867.78	4303.3896	10305.3705	7555.619	NA	18767.78	10301.619	NA	20852.78	11809.278	12512.78	27782.778	9810.269333	NA	18059.778	NA	NA	9615.119	28497.78	43940.119	8928.619	43956.1205	15805.122	10420.278	9501.714	12690.30262	7116.7675	12218.0184	11114.778	25004.778	12361.119	9037.78	25717.78	15040.3896	4172.78	16682.78	20837.778	25717.78	17365.278	13902.78	25917.936	13892.778	6109.214	12512.78	20837.778	11114.778	10673.0175	5558.778	4864.278	NA	12365.6205	6184.8705	NA	NA	4811.3705	11817.78	19448.778	5558.778	7558.3705	NA	8144.714	NA	4985.8625	20837.778	15118.122	9037.78	9060.528	15799.3705	NA	7119.6125	NA	4752.214	15987.78	11122.78	NA	17174.862	18059.778	11130.782	2063.619	9031.278	18059.778	10305.3705	NA	15292.78	9618.6205	10669.266	26490.182	NA	8336.778	8336.778	13892.778	13052.3705	16480.119	NA	24310.278	9031.278	5608.269333	6257.78	17172.8705	6373.649167	15976.278	15793.619	13739.1205	40507.619	NA	17172.8705	15987.78	14012.26933	4864.278	23345.119	6869.119	7642.278	16486.1205	NA	15409.268	8928.619	17166.619	20837.778	NA	19448.778	NA	19462.78	18754.278	NA	45177.78	11817.78	8931.8705	6952.78	NA	9725.778	12361.119	2780.778	10988.119	6871.6205	8342.78	6871.6205	9031.278	31277.78	6869.119	55602.78	4864.278	23615.778	12512.78	8245.1205	20681.6355	14597.78	NA	4864.278	4811.3705	27464.119	NA	10427.78	12177.1896	5498.1205	25699.278	10988.119	11817.78	31972.78	14420.619	16480.119	4207.602667	11122.78	22226.778	4811.3705	28773.25111	3560.5175	11528.712	18754.278	32667.78	14587.278	6952.78	12692.55488	9618.6205	7642.278	10578.30375	8409.602667	16670.778	23632.78	8823.214	38922.78	3475.278	6253.278	4809.619	15107.119	17365.278	NA	1377.119	9031.278	14012.26933	NA	10420.278	9732.78	NA	14425.8705	22937.78	15281.778	8596.9884	18767.78	24310.278	18546.3705	6257.78	9732.78	1482.434	6871.6205	NA	25728.9	5562.78	4867.78	1406.269333	14425.8705	8242.119	23632.78	9615.119	24310.278	11387.1125
C180	N-Monomethyl-L-arginine	188.1273	C7H16N4O2	Amino acids and derivatives	Amino acids and derivatives	17035-90-4	1	6686013.927	8317418.196	3944183.044	9687847.127	7235526.34	4381897.744	7071170.717	2194305.722	4989000.133	6052040.03	4495024.803	7272676.46	5068127.31	3490702.197	5779911.715	4961649.985	6868221.79	5181361.667	8314423.93	4068371.087	5625945.394	5249795.756	12968010.41	3579485.029	6903798.661	6642080.942	9328967.543	4940010.589	3311720.67	2944301.41	6637482.157	1979844.144	5876246.764	4168866.717	7111047.563	3225763.083	6334206.294	5328730.556	5388610.841	4774075.518	6439588.612	2920209.063	6964888.363	6014887.23	4637982.027	4206537.54	4603522.437	3910677.483	3968295.71	6883090.805	1976522.269	4358013.453	3159259.883	5373972.806	4555499.76	6733623.142	4977057.1	3935226.077	3935646.084	6396205.328	5094192.32	7461052.89	6693959.399	5919175.436	2821791.276	5790680.23	6311569.704	5375863.01	4072479.083	5694752.57	4677029.136	5435828.782	6902318.664	3864827.298	6001621.49	6004741.751	9232884.523	5728200.341	3548939.484	6266705.305	3732952.03	2799325.46	6748644.512	5888481.474	6001900.355	6099909.35	5630395.879	3836004.684	5305514.584	5738100.812	5994216.961	4746338.255	6094410.838	8554943.349	9029951.954	4089195.075	5481663.402	4907863.105	6466746.486	8370597.494	7960272.61	3479496.455	4335509.523	4044086.872	5516349.123	4911670.166	3330060.709	3844666.303	4053047.053	5218058.61	3921626.515	5783798.021	5173340.89	5228038.686	5273816.198	4598801.257	5112779.728	6367492.174	2373963.256	5559930.79	4076625.592	5226880.022	8371427.471	6650148.853	6924723.173	6381176.276	5404395.477	3188055.083	4247396.506	6321662.831	4649579.579	2534835.126	5376024.075	4829124.073	6150410.646	4872334.843	9025246.627	6266870.317	7624141.371	11435950.6	4591143.432	4323089.194	4655436.65	4151116.44	4208337.761	4462148.492	8800239.486	2842193.707	5983476.645	4256703.917	4059156.632	5897157.917	6913468.363	5180541.016	6820664.176	4831340.585	8478414.88	4451238.629	5211669.301	7117107.879	5715204.561	5700208.664	3916847.883	4145853.855	7070436.55	3951799.526	4515369.13	4865188.187	4878874.947	4472816.104	4996255.152	6060089.884	6709525.437	3597808.404	6638729.181	7225237.691	4065602.515	6193111.186	5325470.674	9150040.91	5206141.52	4148835.503	5211888.693	5564051.246	4562083.35	4994853.786	3774700.864	5873424.945	7739360.591	4869840.11	4401691.862	3583384.932	4983086.06	5170904.84	3717384.345	4471989.173	3920275.883	4975829.353	6406371.269	5351692.849	3897537.269	5522163.829	2621834.025	5521736.08	3395106.283	4425973.431	5327506.398	3853772.683	3217535.883	4282560.635	4671895.683	4380827.683	6893352.892	4190034.795	4323539.099
C181	N-¦Á-Acetyl-L-ornithine	174.1004	C7H14N2O3	Amino acids and derivatives	Amino acids and derivatives	6205-08-9	1	726599.6251	881556.214	774206.3383	1257304.91	1132044.614	444610.8625	1108328.214	552230.8183	1093243.977	1204798.482	632342.16	838027.9818	893605.7004	1509053.207	1099115.027	888767.208	1115043.231	687227.044	1230026.417	662843.4807	817036.1966	532781.151	1715183.893	236604.3383	894361.624	1012775.625	936075.651	1091443.054	984820.3743	773586.9811	1179637.511	712436.151	1051180.197	437320.5086	1431963.624	523427.0537	1150455.569	1002129.767	1119569.305	880837.3394	1039211.398	1165125.917	856160.151	910464.9097	1319546.151	937238.9457	1015552.982	811987.124	850406.214	1237628.197	532402.5292	1102673.27	696466.0075	640771.43	1036933.339	895806.912	969905.304	549443.0537	708177.5897	1026284.695	1137149.624	1005595.447	1258330.609	947626.3383	719083.5526	878669.2803	1202204.304	973865.151	540015.5205	555604.6125	942160.768	635701.1742	1285721.547	693070.4474	883832.5526	567960.4097	615102.4823	967127.536	551352.6172	661864.7726	538903.416	931630.4823	1396553.27	862873.9109	824711.7705	783277.134	627077.6315	620517.5897	1114417.16	582824.9811	1124143.124	479552.5271	823230.4823	617567.0885	828923.8317	595350.651	537117.651	719092.1973	841016.6182	810206.9486	786059.7694	364555.3565	719870.151	605121.8383	545169.912	985258.8172	512464.2705	417636.7406	328177.0205	627925.2034	307446.5263	872684.124	685489.948	1088220.41	609456.1022	549506.412	505463.6251	488734.8565	437895.4097	920897.5901	362155.416	596539.6713	747128.151	857788.812	736510.4823	984879.4648	742530.7314	605218.8194	535646.9486	1013557.376	934108.1966	637476.651	395621.3287	758809.9109	983662.4823	724921.416	970035.0537	673406.6504	443053.876	1639704.937	701916.1611	901793.9097	952871.1065	554538.2217	852955.447	623203.9611	836441.4457	728050.5841	795936.0205	723492.6689	609527.6251	844923.8999	1177116.939	566342.2705	1168265.029	939792.651	729160.173	740438.4774	745182.4823	721523.6537	695709.651	603031.4588	535362.1611	528938.214	886107.417	586514.0914	543267.214	1323371.239	516613.3394	416112.7931	569173.8754	578556.1966	1403662.16	478673.6091	699833.7792	834477.651	642947.214	571484.8669	742455.68	1241168.459	921719.744	561877.9818	775085.7966	1052541.651	1094413.981	938955.3383	575468.5874	736896.0886	420007.6013	599326.3114	706422.3379	440525.1989	742318.368	1127131.278	760668.1966	900242.7425	720629.2705	629468.2716	1619130.523	784825.9109	707854.4423	927829.1309	852176.6176	1187382.487	715493.1228	737556.7803	985634.412	555083.151	454537.8743	1258548.699	751996.1966	674025.912	1175940.777	994324.8754	870408.651
C182	O-Acetylserine	147.0532	C5H9NO4	Amino acids and derivatives	Amino acids and derivatives	5147-00-2	2	168826.6869	195205.7571	30462.50125	NA	73537.898	83403.59314	110656.6507	NA	190066.2862	76034.764	162421.2862	NA	219205.7325	42812.1204	110586.9112	76721.78625	75339.53625	152745.5362	157976.1508	NA	NA	123695.91	NA	NA	129247.2863	215430.3204	74471.15075	265207.0938	89780.40075	NA	NA	53964.35538	NA	125965.9008	176832.2548	161422.4216	198359.7862	NA	NA	61244.02463	NA	197620.0037	99528.91125	88470.91125	141098.9	134433.3625	253649.7863	152026.91	207818.9	52226.59387	NA	111352.5258	166568.0362	255773.9	185228.4113	109204.6612	254840.1093	84201.432	79486.28625	217742.8548	234946.91	64466.38	62641.27575	168641.4112	248252.4548	NA	33180.91125	76977.1037	319018.9	193459.9037	334525.9838	NA	NA	374424.2537	318889.4625	220140.0768	69912.03889	99546.9125	NA	43852.65075	52203.15075	65349.12333	190031.91	226898.2678	91944.2216	60811.898	59213.644	242796.6204	156598.4644	188606.4537	251576.4112	63342.83938	218402.4113	124386.91	73079.40075	263053.2758	156892.2862	350353.584	317569.5537	160179.1037	135442.91	233559.2193	265735.8789	181048.91	NA	480541.53	158965.6612	114538.4887	199319.6216	120262.6612	189375.1613	226137.0206	141098.9	190066.2863	206453.898	306117.3043	389677.9537	NA	264181.6037	172097.0363	139614.1613	NA	57837.24483	58959.6216	138231.9112	114136.0258	78448.66343	165185.7862	56554.16571	136839.9204	211487.0037	62468.6216	77254.65075	55682.52575	140305.2862	273642.91	217033.8037	NA	40440.048	NA	174125.6727	330962.0364	91926.53625	73697.4216	186948.1738	323139.6548	61173.9	58460.77463	190196.2216	158245.91	164494.6612	299520.8526	205924.91	448612.7037	216833.7204	165215.6625	75167.02575	187992.9112	162391.91	81559.66125	48500.85538	223290.0548	140305.2863	61950.96438	77412.91125	287031.44	154632.3037	193677.6204	NA	96141.3204	159656.7862	191169.4578	161730.1613	167862.1125	80868.53625	183155.0362	145886.1143	55613.9	80607.898	NA	123468.2511	266829.4125	125965.9008	53281.41788	61065.0216	54325.432	201087.91	131320.6613	66396.49367	167112.6037	192073.2037	119571.5363	128419.5204	84901.64963	322947.092	144541.848	199291.2204	45970.31583	111969.1612	203157.2193	323883.9	150873.9204	316475.1204	79342.27575	294710.2548	389213.9	70289.58713	163326.898	163645.8537	NA	123749.4825	130673.9	54793.8548	445236.8935	177460.6508
C183	Oxiglutatione	612.152	C20H32N6O12S2	Amino acids and derivatives	Amino acids and derivatives	27025-41-8	1	927384.7275	1069396.704	1458132.078	814730.8	906424.212	1642591.912	1244405.848	993728.736	1721262.375	1044787.937	2955578.125	1440131.724	1884396.245	1658768.544	1254098.522	1373094.352	1368296.504	1718944.898	1481737.603	1375321.08	785067.2312	1674768.596	1445739.602	1237085.041	948676.86	1025229.744	1522118.9	1289289.771	1974973.65	1960477.249	1459380.923	1670145.745	1352739.64	677230.15	1020550.449	2493059.877	3042943.358	1005832.674	1789142.53	1465386.269	1014309.92	867228.96	1216422.9	903284.1675	1795139.565	1105755.651	1897430.15	847715.3685	1459797.752	799610.7938	542089.886	1260992.502	1833439.151	966469.4988	1445958.014	1086464.225	1464452.08	1785964.376	1404868.657	950577.712	430875.8685	887524.19	1098943.902	2065746.993	962613.6	782603.12	1423098.559	1161061.72	1075820.13	682763.12	2042651.772	1226239.478	1081062.735	789384.0087	563619.8588	1159208.96	546754.86	1335594.855	409370.1688	1506840.832	1496026.57	961049.796	808222.86	1031018.72	427237.6185	1502124.058	2085031.501	2693083.385	1126374.34	1218985.268	881133.76	1404036.123	677950.617	1052249.583	1771215.509	1204283.619	1140829.133	1151919.846	1175114.21	1481934.173	1608196.936	1275134.899	1529471.527	1433111.784	1270865.673	1186213.6	1320092.235	1463978.949	1044466.053	879420.1185	581083.6185	720666.856	1489975.616	606722.688	1984953.916	1064687.52	945095.7285	1338955.002	985447.4175	1674109.92	1238520.456	1097476.855	1061696.443	1049524.736	1195764.668	1393461.687	1796883.887	1429985.807	1703711.782	1484133.184	1336250.419	730662.856	603952.6185	1034572.77	1215815.042	976613.3685	1543836.803	1187442.418	730931.0155	1563153.323	541138.7737	1461816.481	1127573.593	1403194.023	1243139.331	1348595.932	958978.444	903981.2893	1228774.56	1288016.302	268456.8833	772644.8975	2016109.499	1381914.046	1496562.088	1470724.101	1797213.96	2165426.725	2151773.316	377404.8363	1359986.796	1837830.803	1583575.207	1299555.194	1529318.912	1634744.732	2443274.118	1016555.995	1812535.609	1717101.33	1582227.108	1327909.275	2538291.222	1249280.136	1673824.028	1456410.186	1999598.256	1874047.559	2634068.892	652603.12	1144792.628	1038559.6	1442854.98	1879619.742	1186567.356	3383365.639	2093333.235	1300060.72	1104350.988	1297333.464	789165.545	1015856.261	601350.6363	1418595.668	1655974.513	2160572.43	1782459.046	1754157.962	1236631.888	1528726.16	1788341.22	1553896.575	1398299.776	1316369.6	1226802.675	1301227.072	1805441.022	915282.8685	1535238.59	2303230.8	1680969.008	1441891.36	1064064.433	820168.6185	1492776.012
C184	S-(2-Carboxypropyl)cysteine	207.0565	C7H13NO4S	Amino acids and derivatives	Amino acids and derivatives	-	2	431575.172	216265.1057	203051.5363	NA	NA	150454.8323	76797.31607	206989.0965	141330.738	NA	164897.8652	109549.0517	196241.922	NA	98100.43445	NA	224307.8759	191133.9617	210350.6516	360111.4974	130187.4388	20472.192	NA	123125.0275	NA	367469.4763	358113.4306	252177.7878	132396.3694	NA	NA	NA	113365.2826	232770.3529	153024.5728	197206.663	NA	258467.4335	NA	159917.1554	159333.0434	NA	126938.8457	135530.8799	50847.53482	71918.51086	NA	NA	NA	75237.83333	NA	256556.9964	NA	420236.7284	NA	474199.205	131931.7841	189050.0574	NA	380554.6911	521507.5216	NA	NA	194572.6617	240892.5858	NA	NA	256604.4474	217873.3302	148431.3639	294873.9104	177787.5008	165556.4987	46952.86257	NA	375830.1146	35288.8425	147561.2685	269234.2748	322809.7126	353398.67	96564.486	166535.8548	NA	231613.1361	166354.91	199955.1063	236939.4192	313505.0864	NA	59201.348	297376.0263	271915.9719	409528.249	NA	NA	498146.6523	496362.2344	277975.2476	NA	172377.9184	147274.05	NA	167604.7098	240526.5096	NA	450228.3359	209138.9888	233256.0609	NA	309716.021	231208.2999	133313.8529	NA	309364.4597	142170.1875	NA	395588.8228	NA	93589.87077	243114.9199	NA	365411.2017	133161.5589	NA	186875.7787	161178.9493	232242.2696	225234.6162	119875.296	145445.475	327911.038	437405.551	172770.0692	NA	NA	264451.2496	210079.9093	269519.2602	301462.176	218354.1285	165070.1889	168282.9373	264337.9552	300062.8798	351943.3361	125172.7983	NA	185272.8525	275983.9317	389808.4486	337638.9255	202230.406	NA	162616.0937	455566.416	166184.5408	NA	267597.0987	298964.7737	305693.7725	NA	81226.7904	32236.2125	289983.5881	157559.2405	NA	249505.308	198405.2	358446.8798	248886.6952	NA	NA	116747.9526	237250.0188	NA	218251.863	196789.1135	262672.1427	NA	220787.6532	145484.2597	110241.2857	NA	201816.7393	241539.0525	NA	219905.3287	716555.7969	NA	NA	232207.1948	279699.8187	198433.8619	NA	224977.4973	NA	194002.1684	372239.2543	NA	266524.5149	211032.3569	482358.5506	364823.3401	NA	240916.338	NA	284553.2197	368827.858	237877.6002	NA	158059.4688	NA	482781.7809	NA
C185	S-(5'-Adenosyl)-L-methionine	398.1372	C15H22N6O5S	Amino acids and derivatives	Amino acids and derivatives	29908-03-0	1	187696.7005	148440.9422	564627.92	641600.6667	860435.31	368195.6484	438345.2427	219529.3909	557589.375	452787.277	369182.8407	631133.855	313749.7147	595927.3613	439993.873	274444.38	473567.9153	312647.0903	953939.2517	429393.0525	410901.407	611265.9254	748518.3178	244306.87	478300.6733	423082.7085	390214.4243	554705.7398	772455.2733	650425.8458	656049.939	459841.7329	606677.145	329827.7084	434724.374	301980.5213	1063619.661	663397.779	569015.9595	669906.8237	582576.7118	510018.6127	657844.5368	598343.3858	881760.5525	823273.385	508871.37	392501.164	434456.981	784145.1177	559717.9636	829610.103	397659.3055	210697.8549	282474.465	667868.5919	556263.4364	402067.442	221450.9057	342835.1912	498485.7771	503038.6189	303180.4448	664463.1855	406395.0749	574739.3662	729789.3025	652547.7589	306270.044	530284.468	283542.8432	393644.9141	609565.143	452925.424	800752.576	749972.0781	824942.1933	827487.2242	544472.957	676726.952	805935.6455	800644.614	732197.7684	1204434.367	490684.9688	1086195	1018665.829	593523.1218	882920.0563	593127.0573	582853.443	636518.9482	898079.791	1031612.366	885127.8895	653758.9269	409767.4309	543221.0065	637550.757	572909.9535	700575.1853	790472.851	655511.2527	1003234.113	799928.0593	561068.816	653485.8117	624813.4897	1183589.88	971941.865	366999.808	595064.5758	954867.782	806265.698	504797.7645	651886.1385	874757.772	870615.6727	506807.7922	1378600.966	328035.2291	521570.863	810613.8978	601848.0818	1262970.127	735409.3338	603898.344	521185.609	401038.3004	830500.569	554169.5735	207229.005	340256.9888	761646.6989	944594.8909	418762.0334	885556.9323	525524.5756	695789.1964	1309042.063	664198.3891	870171.4767	492382.1264	519846.978	720339.249	339503.5867	1005420.171	943845.8917	228136.37	793504.6012	470582.9509	626651.739	547210.7651	310252.0672	1017593.701	582686.9625	953778.0214	779482.872	335986.3967	564043.2892	320732.3223	1254367.52	951029.5522	417323.837	827654.1356	663695.2784	779849.7353	544797.981	498787.399	836468.4447	488890.282	773533.1792	408314.343	738086.888	413711.7996	571148.0585	1085015.976	803763.8345	677243.994	1482904.952	621034.612	533230.789	363293.4505	606370.6945	376564.2268	851444.6836	477017.45	445344.1117	896660.988	203786.1007	601543.9467	465904.6364	483324.314	823665.402	908709.12	681457.6316	579603.8389	1405401.89	1127780.05	990717.1836	720225.821	390776.7109	280991.5015	492873.24	483828.5967	587614.5604	850821.9537	502558.1063	312112.8917	612472.128	420510.2627	590001.8422	816441.78	788310.2325	568274.3455
C186	S-(Methyl)glutathione	321.0995	C11H19N3O6S	Amino acids and derivatives	Amino acids and derivatives	2922-56-7	2	1691866.421	1126014.238	1486558.261	785222.6417	1168496.104	1345361.572	539942.7583	1841512.704	453458.397	673789.368	1131835.969	670901.5517	535218.838	1457337.4	526523.046	420148.5825	1077276.698	1352895.865	947305.304	564028.692	506813.3904	251883.4505	505734.6576	707555.9133	896704.6572	754040.637	1093731.119	986170.6112	1293686.296	483715.3067	661634.0208	1351855.397	457822.2558	1209531.972	783985.713	958330.488	509399.7664	275203.236	591409.92	700975.528	411870.858	620099.0624	313775.252	336631.246	617971.112	249141.9507	556982.8932	1214231.753	836415.89	1285677.028	866269.7694	1309238.897	1214027.618	1202799.245	2045176.769	844506.386	983031.4438	1003699.084	1222110.334	1146606.687	754358.8097	1592670.63	1199391.442	1060511.243	828024.908	737346.512	1424671.8	998348.7492	1002238.801	1040818.292	920651.556	891770.8275	926916.879	1179586.31	586965.9803	726482.7742	1171569.215	1160681.677	813805.266	1616679.547	813508.444	1509214.361	408739.856	504816.2835	981465.9498	660880.4244	1279431.504	923054.023	565347.44	1283614.311	518224.6512	2296337.148	613355.1096	640327.1752	786247.3236	920496.0996	1414298.295	1103543.716	761629.1152	818074.6232	742043.6675	615327.948	601008.975	514868.2055	709376.3748	605467.216	958804.9128	1088038.236	848282.8872	446127.1792	980446.115	955363.0364	590520.1974	388458.532	1019238.277	825246.66	459867.44	785340.15	717989.7585	826741.797	769688.514	870670.3384	960963.7758	781841.1673	399496.2944	1373479.903	970719.2944	1230742.04	1983771.179	733067.712	937986.236	1110356.501	1430266.724	599360.1456	659716.5862	996818.2167	669728.7036	911129.3732	1381904.231	1202708.353	1027919.054	707094.084	611737.0104	764559.2067	490899.2724	508189.776	1018995.338	883007.0931	1457625.629	467166.2144	956711.4524	895675.263	658492.116	1618629.883	647536.152	797966.0517	1558264.643	452168.6133	544688.2864	1043832.236	1359123.734	1089685.871	625504.344	791101.6212	566125.1024	1100474.135	569658.6507	955632.7196	682145.163	878385.0225	1054262.542	1028153.632	951387.7842	1305787.115	1206199.836	1058666.684	643834.9296	602968.7466	2089113.736	412903.372	900070.4892	634393.2084	1087409.46	1254346.222	1757214.53	996695.6916	1862287.974	889585.8192	1207198.996	1775377.162	873637.79	1390977.873	1685366.402	1061834.452	476057.6976	1904956.033	1450976.037	880575.1056	580165.6304	736623.668	1702223.252	1056299.752	1294779.082	1447357.463	1731851.593	1507921.149	1051900.334	1482857.901	1502790.168	854403.804	1365472.186	1572301.355	1846464.686	821580.5048	1450262.131
C187	S-Methyl-L-cysteine	135.0354	C4H9NO2S	Amino acids and derivatives	Amino acids and derivatives	1187-84-4	2	1257362.598	781787.4444	5601702.36	4457767.56	4592189.507	3995639.755	5567273.713	561788.8764	4298403.43	7950956.134	2888059.706	5165062.208	3392321.821	7074454.108	2847168.873	1000279.002	11564758.39	5542740.913	11707156.35	6949994.668	1526719.093	7727069.952	6712164.311	1017357.398	2712288.181	7941771.456	3640437.785	7776389.5	6125341.988	8210981.734	1849592.316	3869115.993	5157975.821	1926580.113	4066349.116	5749110.368	9055714.684	9333090.75	5785806.694	7522874.593	5331247.175	1855184.288	4689668.172	4492428.854	8373826.754	4588779.36	2369220.826	1583639.98	841164.6927	8985836.925	1877915.815	5339079.824	3161170.634	1184926.713	948349.1398	7143133.122	4067105.803	3288485.108	679139.7582	884258.8255	4656966.856	1072244.453	2273135.918	12126701.85	5407533.1	3885746.352	5720451.607	2867523.36	992021.9809	2956077.31	2146990.836	1407257.994	5734745.584	1172128.098	5983178.289	4989870.903	8115321.668	8529890.127	2082180.503	5824900.302	3650754.398	2962490.4	2844864.327	2756837.414	2761605.434	5583453.948	5899295.907	1221551.556	4512725.608	1500507.278	10774035.27	1181691.196	2918198.811	2467840.061	8528299.375	1897900.142	1454853.506	4125328.004	3596656.205	2328826.367	3314652.095	2823166.09	4906928.714	4927142.133	1639330.785	5465836.106	5619577.682	1795893.513	925952.9438	7664500.198	479541.7156	1098753.889	4927295.004	4143196.424	2203788.583	2183280.26	3596850.62	3392630.568	1197167.809	5090465.318	1179664.005	3022545.723	3599422.673	835821.5875	7913498.679	2249394.727	2857593.548	1111889.566	3854008.174	2507067.959	2044406.222	432493.056	853870.4264	2241450.15	2735471.216	980637.9916	1736655.15	5564927.044	2620474.298	13807460.42	1400548.984	3638945.183	606049.107	2581075.376	6456571.284	4361614.412	3306666.703	1859661.248	629024.123	4073099.515	2474506.766	8339227.524	3573657.33	2163350.414	9850929.649	2612255.098	4153523.859	5165122.446	3396233.216	1422215.329	1007820.673	5285091.856	4081831.268	643299.93	4442456.726	839554.16	3084563.02	6244036.378	5203159.789	3309934.704	2108116.327	1002651.802	3965847.917	367113.732	3391177.459	3799580.615	5325332.312	6681040.391	1794606.487	6464936.23	2791069.574	2147796.049	2091421.234	8108576.55	2568942.916	3637727.202	586048.4528	2223230.088	5039081.38	904983.8294	3530449.106	3858056.054	370076.5785	3039540.69	8294661.596	1940429.225	578088.2015	3015982.378	9360619.304	6017195.919	396234.0144	2484440.934	778492.4831	5120546.656	1110835.896	3899027.07	2540146.952	720900.5802	688899.024	4418703.564	2230508.869	2073276.216	972519.2885	7022164.77	1798747.199
C188	S-Ribosyl-L-homocysteine	267.0777	C9H17NO6S	Amino acids and derivatives	Amino acids and derivatives	-	3	18418.07673	18370.94086	6430.533	18864.207	12093.09714	NA	12517.937	31492.3976	8497.185	7213.9375	19480.974	16416.204	18138.54743	NA	11834.36	20344.41714	6370.104	NA	11099.538	17075.31858	24443.5653	6954.261333	8346.257	16862.41636	14169.9292	9449.874667	8069.110667	7143.5474	7790.998667	7234.774667	12620.625	13998.98971	8905.554	18072.39929	7788.60225	7512.886667	6400.438667	5491.170667	6393.810667	11301.16	16864.46786	20632.92	10158.22171	16947.4012	5500.2	7512.886667	10743.499	13825.50514	17278.11086	8327.8272	23979.296	6312.2175	11182.101	13987.54071	19287.33857	10877.416	14292.828	16469.6775	13436.6222	20940.04714	12831.385	9681.6	11796.525	4731.766667	6066.676571	12401.11314	NA	12273.625	26658.89736	22829.174	14199.818	17308.275	11074.1808	12956.0288	8258.727273	12551.53667	9171.444	6400.438667	10628.566	8069.110667	8927.065	14142.764	11931.57	10267.506	18414.35333	NA	10629.537	16010.5638	12455.8112	16534.73714	8344.341333	17941.3368	20025.99533	13180.67673	5302.593333	9939.4086	15373.13109	9763.705	12126.55786	19601.1968	16408.6725	9767.066	18217.2984	11405.489	15003.1708	6671.7192	14331.12571	26890.13886	19562.79	7160.7951	20582.21086	21945.8864	11683.601	9452.175	16452.28486	13057.976	9181.558667	12899.69257	14879.80571	9664.4052	18890.6672	NA	12795.08333	17014.83086	NA	13057.1964	15733.644	14509.658	12978.6528	13489.696	11994.928	25794.68171	14936.64	11650.8428	10310.806	19868.4442	22039.51686	12791.493	12362.20914	5287.990667	18661.82686	13621.94	11795.41371	NA	7135.1775	9230.326	8733.54	6956.662667	21217.77927	3915.9675	13195.728	NA	18112.19314	13004.875	NA	9333.8	8272.4928	2787.861	14444.39967	14334.48033	19195.15114	11741.109	8517.284571	16178.19114	NA	16207.33229	12831.385	8231.505	7509.63	12015.39	11247.144	19322.867	8030.3664	24717.63571	14407.69	17112.4938	6975.873333	10430.99771	12042.37714	6177.273333	13788.466	18738.34857	17564.46457	7548.549	NA	12782.798	22481.39486	15245.28467	16603.971	23376.3684	10694.3416	12920.022	23082.03	5872.4955	10748.972	23707.761	21423.54	16277.21267	NA	11543.32691	21888.06514	36943.2708	18943.734	11682.55	4986.339	11507.851	15342.977	20933.307	22757.95243	6139.3215	12550.12	13481.325	15079.57527	6678.550667	16570.07625
C189	Trans-4-Hydroxy-L-proline	131.0582	C5H9NO3	Amino acids and derivatives	Amino acids and derivatives	51-35-4	2	3885883.911	2210614.036	15539723.59	9588687.332	14194822.29	12161248.69	10696030.91	1443519.906	17618298.95	15099068.38	9361665.732	22250714.87	11187894.11	13964477.85	13926524.54	5956164.891	12518967.46	8926375.253	26760906.64	17215138.03	10747498.11	23865220.68	19565231.02	6511365.108	7782604.897	17295364.28	11823386.12	10598935.81	16451929.43	26752762.17	14728933.37	13535023.21	16351679.98	6190628.804	8861022.016	11393589	29504729.42	23758631.93	17433847.07	17998924.15	18051379.63	13177512.42	15397837.95	14864605.66	18529845.71	18366864.84	13395463.07	8131945.383	4655374.823	10015773.85	11863000.33	12647778.77	9695787.715	4237375.7	4228705.501	20528683.89	17734761.98	11248356.69	5600938.225	4227910.75	11654872.11	9747130.508	14360858.38	22310313.23	15519709.28	13994264.35	14202331.42	18289738.43	3920599.454	8968225.225	5777085.087	13423885.76	15241463.82	9223603.917	13973910.32	10571648.51	13752951.05	15651781.99	8033533.846	13583416.98	13217792.36	18822159.36	14067713.82	15119550.09	8468029.313	19042000.33	14690193.44	6732399.415	14156236.97	6541921.855	16087357.28	7512317.321	12501851.1	8483611.9	19317445.3	7361216.594	5537686.508	7795899.173	10827017.2	12599044.52	15709954.5	8832055.951	14299873.15	19010467.6	9246678.866	17264090.56	10054757.28	7477708.898	4431120.356	20287738.32	4955793.258	8385646.53	17034067.76	13872358.54	6638464.082	9205683.688	11724879.24	12211799.34	10457975.25	21858802.99	4632210.542	12829919.58	12443808.19	6036961.071	26281031.79	7654855.855	8784095.962	3779378.5	7017664.717	9098940.481	7863102.796	2838003.369	3834548.867	11808008.65	10524934.68	5728694.932	16654117.22	9514275.027	12112454.56	30070538.54	7499817.705	16122890.61	8533955.328	9667262.459	10714787.97	12331199.03	12053269.13	8264143.823	2646685.067	16557431.9	5381230.668	7936270.453	18079232.8	9649106.188	26322567.08	14716817.56	16519354.91	22704922.42	16451355.3	18232777.19	7224467.398	13356295.94	18928369.2	3457193.101	22693282.4	4460473.013	12781630.29	18226886.39	16297548.15	9891369.701	7119463.974	13560838.66	7783878.637	3748840.747	8713780.976	11388458.6	12562664.36	16702103.38	5625496.984	24770029.56	8570295.492	15703645.24	12234011.88	14595419.83	11239240.59	14225098.72	1929607.359	12228661.64	6539361.831	3578642.649	7595498.116	7269119.448	6315938.244	11898275.89	18233879.16	7757230.444	5139433.063	18239048.66	31175081.1	14005607.73	8795284.044	11175154.78	2207782.844	13015162.29	7336487.918	13260222.51	15188678.21	6714882.71	2941610.843	19089756.3	12385010.71	13065196.58	11951464.77	17674711.14	8646201.007
C190	Trimethyllysine	188.1525	C9H20N2O2	Amino acids and derivatives	Amino acids and derivatives	23284-33-5	1	3887491.204	3281156.828	4657129.742	3537543.859	3122626.546	3748382.576	3154157.771	2707390.144	6438478.615	2940196.184	3500337.424	4442075.746	4707249.61	3955414.193	4530278.896	3142601.102	3682087.581	3983657.307	3772815.827	5089068.882	2597477.658	4291230.952	3529368.91	2004005.401	3641600.276	4464198.533	4803992.512	4562443.027	3571720.783	4256158.97	3168742.584	3074550.478	5081148.622	3389399.846	11000258.74	5068478.279	5433320.135	4516388.042	3428656.304	7791595.322	4503267.789	2929869.724	5500933.746	4688874.043	2811685.054	3038683.11	2483447.584	2415009.125	2597616.977	5470298.709	3252713.203	9368876.564	3878960.736	3636367.63	3669157.96	2647893.39	4367577.012	3554829.163	2429706.248	2374875.135	3910293.296	2874399.689	3839620.332	3783644.04	6809928.449	3047911.587	3330736.015	7064580.228	3110748.897	4077107.611	4543878.825	3309688.411	3055667.243	2573160.579	2987808.275	2324284.801	3378120.457	3992943.997	3032257.728	6897883.642	7598602.23	4034379.524	3682550.612	5314951.936	3524386.548	5674479.562	4812727.714	3303183.338	3543507.269	3042282.471	3622948.912	4337682.398	4487858.219	2993980.244	4720524.098	2350386.044	3074427.549	3217731.885	4144108.458	3803661.383	4028236.707	4357243.182	5210892.346	4490826.266	2800221.458	3344014.396	4231340.554	2581943.012	2265451.582	3195065.393	3072739.328	4816326.571	4237788.361	3005840.654	3002585.256	2596177.254	2994841.536	4360778.626	3056275.525	3577779.804	3155127.542	3237514.667	2945219.512	4251496.282	4084034.934	2622542.83	3205059.834	2189516.747	3686214.788	2679555.819	2282744.464	3565321.659	3198715.345	3770967.499	2586422.1	2976253.918	3580790.193	3024114.178	5105714.965	6248882.75	2946460.086	2425432.043	6420939.662	4525821.889	5646564.275	4576960.107	3525989.818	3149348.525	3437556.613	5666115.65	4027151.537	4034452.871	5473555.093	3271772.025	6040351.711	4614358.289	5789425.12	4531012.261	4882026.942	3481974.693	2074310.783	2089940.448	4445586.921	3011404.413	2819919.931	3750951.391	3859391.257	4296245.204	3568647.799	3039425.92	2684114.787	2477613.918	3085848.245	2340650.459	4431956.091	2981183.478	3343049.329	5544243.776	3439368.507	3913248.307	5321506.107	3236605.263	2962332.253	4140126.258	3697861.548	5178084.586	3360557.874	3565754.641	4754365.124	3521421.86	3114504.187	2900514.294	2964509.261	5274248.98	5227646.116	3261294.363	2557385.129	4013488.66	2845785.538	3262446.368	2735839.045	4064090.037	2634080.376	7901030.846	2581108.932	3485512.243	3003976.008	2955126.435	4030125.968	3630877.713	3854806.36	4177287.822	2405140.325	4727254.425	1718517.591
C191	¦Â-Alanine	89.0477	C3H7NO2	Amino acids and derivatives	Amino acids and derivatives	107-95-9	3	48108.9348	56614.82963	46178.39325	32434.07963	50859.59667	49012.4779	60677.5	34259.15889	35735.51825	54416.57962	48376.89325	31926.54111	54215.9225	53178.85463	23839.54	52773.89325	36547.7365	42919.65225	34631.26333	41776.64213	42875.76713	45995.82	45068.891	29514.54	37127.37038	36068.31314	28677.92889	32091.20625	37581.05	48882.35463	44524.45463	39636.90675	40127.95463	50569.64213	55261.05	35367.49333	49476.14325	37165.88571	44043.666	53323.51825	47609.04	40361.0336	47808.22963	59514.70778	58432.81889	69246.891	65523.666	60153.666	45659.97963	49007.9768	67671.666	56804.15111	50493.54213	45623.57962	63223.95688	64917.48444	48340.721	47277.64325	49733.74286	39573.891	39578.39213	44104.3257	44763.55	59521.572	32389.504	38130.4801	32467.48556	41663.54111	40040.70778	31699.784	39524.48875	42875.76713	41969.2878	68830.22263	43249.729	60790.0961	48700.82	56401.22963	53023.37444	44529.51825	36870.61889	52165.36587	67781.93175	48876.666	86079.68288	76291.82	53861.37889	58516.83444	42985.93125	67757.02743	65407.82962	74653.48444	64449.666	80171.684	57475.35463	57799.28175	49953.11375	63391.784	84855.666	64016.80675	73755.154	76959.06	68857.68175	55722.37333	56394.666	62219.43	66597.666	79537.82	51657.684	56809.98556	50943.17	75851.94556	55733.82	60218.04343	54215.9225	68600.0757	63383.04213	58540.83889	64695.9348	54428.95688	69365.03287	66642.66778	68717.82	66141.75583	79139.588	83791.41712	73188.83917	66605.41713	46536.82	62316.16825	64487.31429	63301.31889	41244.9865	54651.82	49236.76333	61672.15111	53028.82	58806.391	57840.45183	83781.666	19770.49467	53166.47738	68713.01825	53947.8685	49956.47963	35731.45463	65789.39215	39351.6	50465.6416	53686.4416	37595.28988	28037.57962	41171.11375	23641.07962	48559.572	60584.15	61672.15111	61672.15111	54098.09886	46994.6336	54246.666	53558.81778	48915.391	43170.956	31926.54111	35564.221	50481.78988	48253.00583	55728.09667	38488.56477	47547.4336	44015.8404	52752.06238	51366.31314	38483.64325	35709.48444	36529.91712	56401.22963	43506.666	56269.04111	16619.216	41801.5515	28659.05625	56614.82963	56269.04111	50864.2336	65465.09667	19299.216	50025.76825	44652.7768	40368.3348	49464.891	36834.76825	66664.31314	49733.74286	41151.784	62117.51825	41118.37333	38136.666	32389.11375	41900.54213	53178.85463	43165.312	56269.04111	53709.666	39499.76333	50065.58863	60690.666	61137.54111	39037.58917	73698.55675	63301.31889	67621.92889	58530.108	62799.04778
C192	¦Ã-Glutamyl-L-valine	246.1216	C10H18N2O5	Amino acids and derivatives	Amino acids and derivatives	-	1	90435.30831	NA	82874.72769	122116.1065	94060.889	59938.631	32677.216	33850.656	103479.9535	178768.9003	151970.4222	89165.40545	56704.61167	85075.50369	147542.9698	115459.5	206378.5675	150250.0581	217292.8828	111510.4655	NA	220108.229	154614.6648	152841.624	122329.9406	202098.2995	96318.8135	80182.41092	107857.68	247286.2651	138767.464	63266.998	46300.97333	86120.80727	NA	180952.8875	148397.0016	165695.5845	129761.9223	97827.05392	NA	80931.64373	90349.76114	151174.0385	68135.088	68386.57229	91511.15043	204091.9889	61295.48138	126285.9627	252588.592	82519.791	126701.5035	96377.223	119087.1095	215896.3175	131695.29	81426.29433	109006.8037	240322.1946	192173.079	92898.54646	153095.7997	171164.414	195882.5757	75062.258	111189.0847	245994.0061	NA	88257.83182	81315.55585	NA	NA	206281.9242	87755.64346	226792.9196	100299.2729	108989.9679	160368.7233	57518.26914	83152.04075	121121.0533	62099.37529	164185.992	134293.4061	86999.79831	130194.0267	102666.6928	42689.4075	117943.2931	121799.8958	59594.808	152877.2714	NA	175758.946	74201.90083	108004.9086	71235.56977	140884.014	115145.247	106123.9502	42924.629	185201.9392	222748.2517	31655.70817	250518.6787	201586.6912	118986.3962	42152.57182	164208.8486	90139.681	104250.5095	245550.6708	89771.626	238958.6605	NA	84713.63815	203614.2585	152385.6194	143432.3757	68856.30575	76598.98833	68870.12	59123.001	206231.6695	125663.6672	110621.4405	126909.2664	68680.2395	36002.992	102337.3622	39520.981	67035.94821	NA	135677.022	80804.49754	91561.23992	NA	161549.6869	372195.0238	157410.6706	151054.5412	NA	90616.20185	79652.9825	154790.3064	NA	40873.1145	66900.928	119941.3679	86673.06667	82944.14743	137234.8429	208070.7085	275513.921	76568.57815	188683.9555	84824.58685	192430.5083	352070.94	116651.4773	220787.0383	144266.012	84458.268	93324.47675	42963.17046	148362.144	86433.06708	169052.4623	185400.6424	79474.54242	125209.9898	83460.786	124525.0032	107048.565	118038.5024	NA	242869.5089	200495.5708	NA	143043.4191	173433.6	149568.9754	115645.9809	105737.5013	187871.8072	101053.6465	92612.24538	240599.9245	NA	33511.992	NA	146083.5471	97862.85654	174546.6015	124725.5709	NA	162012.5323	50938.3182	108985.6569	NA	134691.654	NA	NA	34614.0135	153877.332	NA	176820.273	43832.63517	245858.307	129914.552	211693.5377	109506.404	204676.9043	NA
C193	¦Ã-glutamylmethionine	278.0936	C10H18N2O5S	Amino acids and derivatives	Amino acids and derivatives	17663-87-5	2	505307.0525	382540.3271	115157.1587	189001.008	353888.3982	373902.3516	125906.784	156391.7447	371742.4511	519520.2338	355433.0747	NA	236115.8755	208596.2776	491364.135	212725.8472	768614.8575	490406.9599	1016765.176	475025.22	344619.2701	156848.594	462123.5186	417802.5934	361313.4593	724878.2056	669675.2672	152609.4212	299572.1274	562266.0621	1097201.396	211117.4321	105551.8133	157432.0558	286119.936	208314.015	1254785.615	275727.7183	328418.2464	106463.6182	390816.2749	287359.3579	284947.0239	343939.7902	NA	285737.8701	130581.7459	349361.6113	235559.0576	227544.928	333004.4422	99551.04971	277517.6218	396371.7933	429674.6147	714693.12	NA	266450.9408	311863.6265	1233422.151	811292.9249	306706.8917	424444.1936	853518.1621	635830.4889	77321.01214	258729.042	765683.712	23568.358	227922.3005	220344.0587	503125.216	NA	137055.8948	519775.664	444003.514	298070.4138	405085.3208	368661.2068	457473.3458	102498.5531	600381.9461	200727.4337	76079.04	690848.2739	27253.984	313459.4052	83672.20516	254385.9261	315474.8387	283220.1291	NA	115175.1341	158671.3781	709039.4185	395178.342	87368.428	105939.8855	629159.4272	710861.2806	146617.0506	22343.24	297852.104	887728.101	443639.2421	750650.4361	343608.45	267450.7622	113199.8664	501231.9956	370937.409	569768.2656	450680.8864	342421.1531	575857.59	172481.1093	83055.2165	226036.1085	465340.3713	584345.8887	181506.0283	287794.5409	1078613.873	NA	1248299.845	302191.6622	812697.6075	10069.5325	198484.9329	229712.3892	215750.6352	160160.3412	15719.90233	321138.2845	987433.7299	91441.4576	452289.7539	80094.22406	488705.2096	1043551.355	938852.5924	NA	274295.539	267289.8941	123907.8	574483.7811	NA	NA	276366.2223	66542.0885	334526.616	142547.9111	NA	844295.7544	1272035.247	124580.5142	562182.1878	194002.679	825937.9113	972594.9191	291410.9562	661489.1677	337112.064	794689.1333	918531.2377	93971.68511	442459.834	167863.3419	NA	229501.3949	478967.205	260970.3122	144752.1353	NA	617545.448	597514.47	554814.486	260641.6361	432611.0376	822194.4	434662.4725	459627.8018	508087.6115	141579.375	NA	438926.7186	352815.384	NA	428115.5756	245618.384	64634.53882	NA	439726.6804	NA	231435.2789	438318.336	253051.1452	670617.6681	NA	294141.4355	497364.1712	410831.6319	NA	421324.761	338382.6946	314927.691	339683.0003	457716.2915	NA	509203.0305	375231.7061	360023.0533	284690.3513	709394.9303	66928.68
C194	¦Ã-Glutamylphenylalanine	294.1216	C14H18N2O5	Amino acids and derivatives	Amino acids and derivatives	7432-24-8	1	164246.9033	217380.4934	302738.2901	262300.9912	411278.79	460642.1912	542483.37	68887.31556	280786.1912	858253.4467	171678.507	303968.6489	195128.0066	507604.5912	312729.2901	98833.98222	832028.2044	329548.9846	1417024.371	492181.66	270910.4092	420617.92	781209.92	127595.0067	197002.3164	685156.0703	356375.3156	267542.016	382389.007	558453.1478	501618.5653	198490.9164	191524.8153	96273.7164	240082.4267	312952.6489	852216.5892	625159.9153	290524.9833	245572.6489	342388.9164	263656.3944	276366.4653	297234.7164	506083.9153	482489.007	109697.1687	230224.5153	115625.5164	501669.1164	202562.7887	266273.007	295252.8392	152312.016	91807.9164	730778.9097	166713.0933	240207.0058	105452.2475	300565.1577	325981.4653	150576.5486	286622.0397	844710.3392	547760.5153	215438.016	342941.9367	477160.2044	88841.87	228235.007	262769.507	364993.0093	617737.9771	260501.0677	632179.872	521474.6577	488413.6725	684003	342906.5915	592098.507	136781.016	765839.2343	443450.007	487230.2153	534040.507	182689.507	504094.4248	53964.49625	457891.8618	143150.007	510749.4975	112619.507	149156.007	228386.4069	833840.007	224424.0149	142793.016	163170.007	371878.507	514521.007	168175.007	242749.507	527304.3707	679072.4225	412350.3392	817187.4225	482143.1213	231843.6914	112619.507	390897.507	132639.507	373363.53	623233.2582	429787.0373	415105.6687	182372.016	185192.007	257563.8485	389961.4248	825656.016	149392.8713	216134.988	703755.0856	156663.507	743873.8415	266228.6725	834069.2885	149156.007	418925.507	234819.676	215794.3427	157315.6195	127202.7885	488995.507	749684.5677	101043.0373	312819.507	140399.6212	228065.0807	1768398.632	608114.507	498215.0194	119049.92	369713.048	160206.8144	489485.016	362811.03	148179.6748	161617.6733	164143.6725	223611.3165	223730.507	781850.7122	406335.8088	1609545.704	118605.7558	592681.401	252555.5802	384248.6522	418807.9771	507605.9822	701708.007	227462.016	100540.3707	633455.7605	80627.7605	202873.92	204341.8711	381377.7326	249353.5665	228328.1912	135036.6812	248213.6725	55080.34267	451328.0677	321019.9653	540316.2605	351285.1153	194100.7063	723847.0373	185251.2846	218761.9248	308264.1912	312819.507	176694.4494	439410.5385	121250.016	164066.5455	360556.6171	132756.3165	75069.50583	165120.0067	231470.016	212719.507	422552.5677	311585.5863	148371.9754	588224.5385	490361.06	322436.3427	104643.6489	350846.0367	76108.34267	454461.007	55825.18857	208156.6077	380588.7885	110153.676	97604.507	522415.5257	286732.8411	399209.98	183190.007	715722.007	97202.016
C195	¦Ã-Glutamyltyrosine	310.1165	C14H18N2O6	Amino acids and derivatives	Amino acids and derivatives	7432-23-7	1	251849.6043	202625.0515	100385.4859	131459.7058	210397.47	184311.7708	301502.0807	21445.67273	187326.3607	964550.7923	172865.1455	199896.485	122844.3273	251834.7115	139975.29	60595.3985	1150448.055	608927.4041	1030674.964	406456.4974	143460.4312	351852.1969	461823.108	75561.6575	157870.2525	746973.5477	260512.4113	161514.6875	212025.1269	676186.0845	161653.6135	62280.1585	77591.01818	55136.865	224998.9946	372943.4754	915240.5968	610587.9925	188878.0549	103378.4816	159149.7913	85764.05369	189367.7229	149769.8425	392728.3942	148183.8928	54146.26323	93310.172	60256.27083	371125.8542	82343.20583	192764.0722	164208.8512	220204.1682	85500.4104	711239.7689	94727.12383	105506.8357	48955.0796	208590.9147	414578.3011	77591.01818	178329.2783	884585.0408	590133.1412	124006.4058	157851.2866	240573.7127	60610.513	165922.38	171097.4783	167710.3108	362240.4912	70631.496	499362.1932	450782.1205	404772.375	413688.5633	178811.4815	503788.6267	73331.35109	191723.5972	103544.4045	75528.648	568206.8805	150216.8027	255124.6333	42450.86267	171156.9778	116763.656	487531.902	63701.89167	103982.2872	122287.4954	889463.8909	132001.9081	62279.27273	137477.5636	528857.58	621328.8207	106071.193	138691.5854	418107.4058	440262.7178	280086.5417	663326.6077	346096.1057	223632.8128	33534.31792	511919.19	44147.40575	73671.075	300535.3069	209473.7569	565611.2683	56260.461	107035.952	139575.2692	169066.5392	393189.7671	96094.68067	163980.7628	467004.5909	89364.75	952175.1572	162883.8691	346082.3476	105069.1846	221159.3245	76766.03636	106259.868	90645.47855	NA	177534.0325	412735.6987	92635.09036	260226.4841	80921.10146	248873.5787	1597238.035	409145.9902	326359.9882	72827.78182	174111.54	108578.9596	271066.3115	114577.5383	58728.19067	46857.8456	84379.44942	209976.4628	188866.6	506061.5633	188659.0954	1060944.019	47461.116	337868.6518	98988.6035	377758.9392	359330.3818	204319.5572	543442.824	239997.6067	45632.10873	305786.9313	45945.49091	124272.1813	160518.7195	269147.3923	146328.0249	256762.3546	NA	95457.7125	NA	599531.379	347944.8883	655809.5847	322053.588	258272.6909	420202.8988	148168.6333	161316.6395	207416.5182	201422.7507	91159.396	457835.2175	156191.7292	116251.3009	296750.4107	95965.45455	37911.41782	351496.7097	252408.2167	87418.87083	504166.9524	200399.0947	NA	303225.9392	270390.6837	248804.1772	76569.83636	470426.516	48948.3525	116545.872	68785.62083	238856.1433	133480.1228	71841.19233	37103.18309	269711.6522	154343.14	192260.7636	84681.89967	703401.7533	67857.76038
C196	Epicatechin glucoside	452.1313	C21H24O11	Flavonoids	Flavanols	-	3	NA	69193.9304	82613.4255	60490.1675	87742.1148	NA	82458.18514	73694.3775	93952.02488	NA	102715.3291	67201.39313	86150.34971	73840.01829	169163.4874	56126.98778	107637.6137	143513	97763.328	105856.0491	96004.59433	92035.66821	88889.32914	59196.9055	77701.4175	85275.9405	88293.952	89061.9265	NA	61366.261	81964.47086	234472.9316	23347.30667	95364.39055	120667.89	NA	77718.9525	93117.38229	57063.29829	87813.69517	86324.36571	99379.37829	229532.8909	109143.6514	133804.4709	74558.75657	35338.9075	68636.1875	168788.7095	88889.32914	53676.23657	70117.4375	72477.902	83921.18625	147216.976	61028.42125	78152.7352	NA	64107.7365	58282.18875	64294.89	101708.5114	NA	79173.63086	65899.4175	56413.488	95763.50971	NA	98956.9265	69734.39	96004.59433	71046.90667	60935.90667	147773.42	124701.8771	55734.73767	60376.59433	NA	82142.34514	70756.1765	51848.6875	70059.25463	37772.424	148072.2307	70768.09433	42562.59433	71557.3307	63208.8875	70606.19888	90851.328	73064.31667	69621.61371	70556.5296	NA	60734.75657	47898.6875	83558.27375	57407.59433	64163.883	70606.19888	77125.104	67646.75657	70115.328	82951.89943	NA	65938.3879	128359.5696	70115.328	47404.9375	NA	61228.47086	78519.82914	70549.4285	75258.13	NA	57021.864	40820.1675	66282.55308	NA	89408.508	92975.89	78840.13508	49877.6375	66776.9352	77013.20556	88803.8631	164600.4675	74561.1875	194618.522	48312.972	66798.1765	41984.31375	78827.21821	83209.67412	57998.14457	51681.09257	75173.89	21236.1875	72104.9384	70228.89	60792.5304	87369.44662	64798.5352	69339.58171	82841.044	99365.09143	26545.915	42677.27967	84014.0425	56782.94888	183171.1073	45752.6028	72970.902	60632.6148	70862.446	84353.35627	80658.38545	99531.63657	176473.266	NA	NA	90847.38638	42905.10343	74319.43583	77191.8845	58338.254	55569.1532	80547.31625	59449.90667	50485.7388	NA	55703.5676	106634.7554	66385.0705	50453.496	NA	64684.47086	49939.25527	68260.7352	62158.3785	57291.58033	67128.24525	116601.5097	43915.30875	158726.8629	85169.01333	60736.1875	54484.6896	NA	NA	37968.888	128835.8569	38937.776	NA	63590.0148	172899.1356	57105.9225	64927.78629	60025.92	85275.9405	82834.5609	123033.6514	64942.44229	NA	86001.19314	49477.82982	97051.68	52565.275	63822.2364	83457.68629	75848.0484	74268.63543	98247.94633	54317.4375	104182.9371
C197	"4'-Hydroxy-5,7-dimethoxyflavanone"	300.0998	C17H16O5	Flavonoids	Flavanones	-	3	42469176.21	42082381.23	38038640.41	25698846.64	42048278.17	38413249.2	41687883.12	35319480.17	35350078.65	36134684.26	36111969.05	43019327.12	48329318.38	35819439.97	42493572.73	39467151.33	45173930.99	37011858.91	39738931.34	42254997.39	30935174.62	38884670.91	36629179.99	39308603.49	32277247.31	35780638.06	40128902.3	26316561.18	37954746.89	37700111.92	41235410.16	41821764.26	35181342.9	30845799.79	37369840.09	43895616.67	37921375.56	36117133.29	39691640.29	45733971.55	34025883.42	32327476.68	38322046	40058146.66	38629496.43	40004746.46	34272966.97	30635768.38	34831059.78	31288367.61	24839293.99	32986273.61	35764786.17	34545485.36	35932140.77	31258979.92	37049853.26	31003522.74	34411411.83	36298028.61	30054343.84	33340270.49	36147962.57	30569346.66	28223801.32	27638309.61	32831331.07	32994267.73	21498113.97	32706763.57	32795375.58	37055696.92	26573887.84	27582126.85	27954239.05	27351157.34	28620278.1	30343471.6	30244162.76	28786995.48	29172532.5	28855613.02	27691407.89	22864457.41	29260826.79	31752827.24	34281508.03	33952727.89	27465178.23	26338804.57	27816486.93	28373557.92	34526288.85	27111671.41	20492107.77	26684262.87	44300134.21	38728975.31	41354872.76	40235738.7	35437672.54	43793328.7	40849073.93	46307263.92	40552682.84	35242932.56	43051618.95	44655441.52	41353624.94	38054939.07	43889917.47	46297479.35	36508320.24	38274350.81	40895481.92	38577659.73	41296660.04	37687182.05	42316351.93	44665168.4	41023900.71	38380518.35	44157656.2	40801700.06	37296214.16	42109163.19	43861000.15	44700879.26	42426864.59	36379258.13	39325743.73	45307443.7	32864577.93	41830104.26	44367194.86	41058784.59	38052504.11	34770205.87	39263341.87	38419766.75	41732865.22	43239307.4	44976036.53	40862270.28	43511725.93	39539466.44	38948583.48	43922743.04	45407880.29	40686934.77	43945975.69	42751540.27	40783168.32	38012260.44	38432820.35	43526291.47	37295752.25	46538701.91	45669161.88	43200850.58	38987966.74	39566529.11	39263523.48	43326180.75	44169397.23	45031856.33	42196184.09	41826160.72	41034186.06	37381358.65	38598887.65	39198794.22	46554289.97	40562582.86	38584220.17	41119531.39	40876275.47	32972531.46	37495739.6	38167220.79	43107272.72	37607400.3	38578684.98	40047435.76	28690916.02	40757507.08	41542088.04	38101890.64	37056979.91	39871606.32	38875544.96	39133651.68	43387155.78	42605523	44757678.52	43478812.6	36279331.6	40394793.06	42443154.86	46207307.39	36410961.8	37737988.33	43572987.93	43647950.47	40559325.33	39037043.92	42499698.51	41164423.69	37081410.84	40301068.21	41133202	42062007.47	33204675.95	38429324.9	43433039.26
C198	6-C-Glucosyl-2-Hydroxynaringenin	450.1162	C21H22O11	Flavonoids	Flavanones	-	2	45297.86267	NA	40280.4225	81122.4225	2265381.848	1210272.818	291868.1563	47394.51333	NA	110472.032	836749.9075	NA	NA	146755.4395	24256.512	NA	581848.3656	22099.165	NA	NA	799828.1725	218385.1575	255102.5312	88535.40267	1360127.315	764978.2088	116787.0133	NA	NA	176420.4225	1616985.166	205893.1563	NA	NA	231443.6725	NA	277071.62	207848.864	NA	276823.6725	NA	NA	65774.24625	NA	1640590.798	736893.3656	NA	NA	NA	50393.36267	55407.736	17560.864	NA	64883.68	NA	NA	NA	20398.532	71284.6715	572001.1973	2983839.301	108888.68	167548.9487	750962.5307	51625.4225	11618.4845	NA	NA	29453.864	55596.1725	26370.366	NA	29453.864	NA	1837107.661	NA	154659.032	47958.68	227670.5307	NA	25526.29625	192662.28	33266.441	540027.6725	160537.4225	28053.366	95148.53067	19241.1575	NA	169046.1725	463968.032	NA	NA	56421.18	1409596.368	615510.3467	NA	NA	NA	38356.512	NA	84040.512	NA	165679.1738	68530.864	173302.5307	NA	163564.512	41212.57867	15022020.01	89116.512	12046.941	NA	84561.904	25464.4075	70229.864	NA	NA	99708.532	59028.74625	NA	143867.0133	12912.1175	NA	NA	33418.19733	2920206.778	98739.366	20368.15625	NA	48522.84667	NA	NA	NA	54821.71	NA	65152.032	37803.68	NA	28321.19733	NA	NA	46089.62	91345.70875	NA	NA	222247.155	1929749.516	NA	NA	46826.568	1518635.936	NA	NA	NA	NA	NA	579606.9	NA	NA	128170.1213	100960.512	NA	216592.155	NA	32862.665	42717.62	957789.1968	20525.7	NA	170786.655	NA	NA	15426.06933	184640.5913	1230000.164	NA	NA	NA	NA	NA	882079.4225	449435.0668	519855.62	378719.1728	50838.40267	NA	129294.3712	NA	59488.165	695735.9656	71255.7	NA	60701.62	13850.308	180484.512	NA	144215.7	NA	562356.9	82912.512	NA	42493.165	21561.1725	143331.298	15392.32375	278674.5737	NA	122607.1715	NA	98594.07375	49025.7	1104490.966	139394.848	170329.4963
C199	Eriodictyol-3'-O-glucoside	450.1162	C21H22O11	Flavonoids	Flavanones	-	1	28260.265	47293.01383	105641.4275	179807.8037	70426.906	NA	NA	34359.681	225230.4524	200157.1775	6812.714	16561.4295	NA	37071.1775	8654.6775	30275.9275	79373.547	124125.3548	20157.79817	26997.681	NA	91415.181	424397.765	NA	37688.9275	NA	169269.6775	NA	82297.4625	305402.1795	33119.1795	62645.09717	21627.4275	36453.4275	10507.9275	NA	4922.250667	55582.41	23130.94556	NA	185986.5538	18486.12283	45101.9275	93320.1668	NA	17174.6795	32247.41673	33982.4275	13593.608	22249.67875	68074.4295	50043.9275	53143.42875	62398.9275	NA	30065.181	29043.10933	NA	41395.4275	32132.276	NA	13590.2088	23585.205	8606.931667	49083.681	NA	NA	41476.714	NA	31163.444	63016.6775	8696.854833	33367.94267	NA	NA	NA	69826.05375	28425.276	68525.2386	NA	154568.6825	318322.705	NA	193361.9275	NA	142706.4275	193361.9275	8036.776	255754.6775	52743.1795	265540.9295	140853.1775	13599.42875	13495.1795	NA	182242.4275	11027.23889	NA	180912.4295	39251.6795	NA	141470.9275	NA	69950.714	115525.4275	134702.9287	NA	NA	NA	12378.7125	68074.4295	90232.944	69194.1775	196450.6775	15778.4397	88980.17875	21013.92875	NA	19774.1775	NA	58074.6775	2456.6795	7975.9295	3094.30125	14122.4644	38381.714	5562.54875	20946.955	NA	NA	38306.6775	56839.1775	7979.181	27599.76111	10997.547	NA	NA	NA	NA	NA	63267.765	NA	108730.1775	123191.9562	NA	21623.27467	NA	NA	NA	113054.4275	21830.12111	NA	NA	NA	NA	NA	NA	31845.4895	74762.776	NA	NA	15440.54875	NA	20860.5893	NA	11893.13125	210658.9275	NA	NA	126507.8412	18531.175	NA	NA	NA	134514.638	9890.1775	2433.645	NA	105358.8752	386667.9807	1130090.938	23967.60067	206869.91	39284.1644	35572.1795	402818.1228	92000.0088	157235.265	NA	21721.223	NA	NA	NA	414514.8472	NA	11764.714	11663.48667	35107.9896	NA	NA	41395.4275	105023.6775	69514.0215	673353.6775	131867.732	267387.8288	438656.181	101914.3013	140870.9427	121085.1775	213458.205	121624.205	NA	37467.6805	32135.67875
C200	"Eriodictyol-5,3'-Di-O-rutinoside"	904.2849	C39H52O24	Flavonoids	Flavanones	-	2	6909.354667	NA	651.385	NA	2226913.479	NA	NA	2467.696	5573.476	51426.4176	198511.6293	53448.02613	NA	186036.8329	635.289	NA	138143.511	NA	NA	NA	NA	19369.62125	121808.1212	14679.104	1378222.049	280671.3788	13840.516	NA	NA	112536.3627	2500.7455	1945.966286	NA	19240.464	66016.4164	NA	99685.75088	31084.5925	NA	83370.452	26204.112	7043.158286	NA	NA	605267.8712	NA	1273.81	NA	8749.245	38636.5875	4473.331	NA	NA	NA	642.56	56787.104	NA	NA	9995.747	619.9475	NA	NA	179283.104	322511.0293	642.331	NA	NA	NA	NA	10799.2176	NA	1281.104	8281.76	635.5405	686470.1133	5734.5705	1236.1975	15721.696	NA	NA	NA	NA	NA	633.5285	158832.9185	NA	31725.09375	NA	NA	198785.9467	236558.448	NA	NA	5700.798	940984.4228	NA	619.696	NA	NA	10061.028	NA	NA	3142.0228	38851.928	NA	57600.26775	NA	95554.745	NA	NA	27481.747	NA	10553.464	NA	8743.2455	26823.385	NA	NA	21736.78	6251.245	NA	46224.83667	627.9955	NA	21587.4164	8951.112	1245.964	12788.44667	NA	NA	44098.18838	NA	NA	3187.5705	NA	NA	43708.328	4958.478	NA	10162.8164	58706.747	NA	8399.038857	5745.602667	649.373	NA	65093.86013	NA	NA	NA	NA	1144909.524	NA	638.81	5704.034	NA	NA	NA	NA	619.9475	26968.524	39971.747	NA	NA	14176.83975	1934.9088	1266.713333	342638.4	14175.46363	NA	1252.747	3785.54875	NA	NA	NA	726197.7362	2519.028	NA	NA	NA	3837.4596	NA	269406.5811	97192.524	130037.8107	3803.534	NA	70940.502	NA	8316.448	NA	NA	6277.524	NA	3803.534	122759.5076	NA	43048.5088	20418.37875	NA	NA	96392.064	NA	NA	NA	NA	41490.6584	4375.247	NA	2561.112	1919.331	8934.8775	544332.1113	NA	91826.12125
C201	Eriodictyol-7-O-Rutinoside (Eriocitrin)	596.1741	C27H32O15	Flavonoids	Flavanones	13463-28-0	3	82507.964	1997.4745	43752.9655	123036.604	122267.944	28742.09333	4915.892	5955.930667	35719.936	207751.964	24787.096	9917.928	NA	14793.944	3941.938	40401.1615	80499.7125	35481.942	21681.4115	34795.964	3945.942	126147.942	24630.91	38771.964	84703.54533	2982.7836	103054.5933	NA	1998.4775	6953.104	32743.936	5896.3905	3955.952	115309.964	1000.2155	999.7125	1975.944	50616.93867	1001.976	NA	61633.964	NA	34542.1705	39405.91	5987.973333	NA	5917.4115	5917.4115	998.958	7937.262667	12810.91	31533.9115	1976.4115	25866.945	NA	91287.27067	NA	NA	1976.4115	6979.7275	7973.976	6900.91	36857.976	2988.7155	71443.93733	2987.964	NA	2993.2245	9003.2425	15923.94625	1010.7785	NA	5896.3905	995.466	5973.18875	991.1615	71573.964	NA	75600.6405	NA	11825.87867	25682.9	3931.889	80775.91	9918.966	22920.83625	110119.936	NA	14945.976	17866.93733	235905.596	17933.976	6977.976	1034.9225	12821.944	70463.60533	6902.442	NA	14801.446	9962.964	NA	28476.6405	995.466	16857.76267	23787.92667	12908.272	2995.479	1981.4265	987.389	34698.76267	29553.3315	17677.3905	3973.4848	3947.212	6900.91	6972.32125	3945.91	4933.714667	6963.964	999.964	38422.88	1969.3905	990.91	1001.976	1997.976	14053.014	18836.928	NA	NA	2001.4865	1990.262667	7937.262667	999.964	5915.91	1994.967	990.91	NA	14007.7964	NA	2013.689333	2982.53375	NA	8953.6875	6905.944	NA	5969.964	990.91	3988.9475	2960.91	7960.93875	1997.976	6956.958	2066.6815	NA	NA	NA	1001.976	990.91	9863.944	1994.967	NA	1969.3905	NA	10910.76267	1976.4115	31757.27067	3977.272	8002.99125	NA	23591.8965	993.6765	NA	NA	999.964	5981.976	20846.93867	NA	1000.7185	2983.0848	18859.104	36802.467	5981.965333	19070.514	6953.104	45729.964	5976.19375	6972.32125	21890.4685	6969.2185	1989.258667	16857.76267	NA	NA	23856.93625	NA	4991.306667	2961.6615	2985.7095	2961.6615	1969.892	2961.6615	27886.9745	81283.596	12941.6975	4929.6585	6969.2185	84257.096	40638.928	231077.976	1993.964	60469.096	6900.91	1001.976	6900.91	12040.012
C202	Eriodictyol-7-O-rutinoside-5-O-(6''-O-glucosyl)glucuronide	934.259	C39H50O26	Flavonoids	Flavanones	-	2	20200.4725	NA	NA	7298.7536	163035.0891	82498.191	11612.3364	11120.7444	15014.652	35179.2225	114092.6674	34201.835	NA	113945.7032	4453.584	NA	54501.42637	3929.618	NA	674.02	12495.13	65611.191	153809.0204	3207.5945	217091.0331	156461.5177	12352.191	NA	657.924	199945.4725	88962.53143	317586.6274	NA	21583.03086	35179.2225	NA	84438.56487	62531.7225	NA	35889.8288	178222.7934	7759.169333	5094.546	23019.95775	114334.6921	82344.88687	NA	NA	9065.3835	11860.902	23681.4912	NA	654.906	NA	NA	111846.24	NA	7810.948875	7646.548	176532.6034	75022.3276	15314.95	128181.2309	278760.7063	NA	NA	4706.2805	NA	2676.17375	30623.41112	650.882	NA	32439.79912	NA	375434.2309	15782.63	2632.63	25498.2432	24659.42525	NA	NA	11184.37371	13835.83111	71217.5396	22280.046	NA	44947.9725	NA	NA	380020.5434	510183.3339	NA	NA	1935.21	162386.691	62561.4192	NA	NA	NA	17058.05125	NA	NA	NA	19087.264	16317.8288	171937.3166	NA	36497.4192	NA	150478.1741	79250.691	NA	13715.55863	35503.94514	2619.579429	58381.77943	NA	8438.104875	8724.032	6360.084	1320.594667	57694.79125	NA	NA	24191.263	NA	1297.882	5920.13	NA	NA	16898.691	1326.969	NA	651.385	672.2595	1321.264	10452.6336	44161.81714	NA	6476.3835	33133.00238	651.1335	NA	25529.96512	NA	650.882	64056.882	14424.54225	NA	4034.5305	3241.385	44822.87737	NA	NA	5299.61625	NA	2008.7595	46004.8852	2008.79875	2712.062	3185.046	NA	NA	1308.915	44745.0948	NA	NA	49361.53257	11202.60514	3347.013333	2613.915	NA	NA	NA	16437.8864	80386.91737	1297.882	NA	NA	36850.52571	NA	16825.882	170164.3149	81733.67486	133770.0626	6578.8852	670.499	53806.04125	NA	4651.7608	NA	NA	2532.315	43805.7444	6680.42375	24590.51762	NA	32420.115	NA	NA	NA	103877.0828	677.7925	NA	10479.04	NA	84813.20775	29363.29371	NA	14406.65262	47407.104	28927.944	466751.6685	4569.0192	6873.247
C203	Eriodictyol-8-C-glucoside	450.1162	C21H22O11	Flavonoids	Flavanones	1023271-51-3	3	14589.366	NA	NA	NA	178376.5737	76567.54625	40298.208	5703.42	NA	13767.441	49472.62125	9191.4455	NA	9081.6725	2852.28	5738.441	39916.49625	3968.899	NA	NA	66451.1148	50987.3505	22233.42	7444.912	140278.1148	53667.95875	21230.2659	NA	NA	13619.6725	109452.8467	NA	NA	NA	10899.941	NA	17989.62	14162.864	NA	20769.6175	16068.4425	NA	10723.68	20531.4	115624.512	46419.924	1733.308	NA	5132.28	5735.9395	NA	NA	NA	4563.42	1149.245333	NA	NA	2274.6725	NA	33984.53067	196274.1725	5052.366	14854.90267	64000.19733	8582.8197	NA	NA	NA	5195.308	NA	NA	569.899	3930.366	NA	123666.1725	NA	9083.67375	6207.4644	10262.28	NA	NA	12046.941	1721.578667	32891.308	10768.032	NA	6272.28	NA	2852.28	8544.778	26099.1725	NA	2282.28	5082.013333	142738.68	40624.51333	1723.1895	NA	NA	3952.512	NA	9123.42	NA	9540.366	13193.941	14162.864	NA	12976.512	NA	1111248.422	11403.42	3968.864	5705.9215	7962.411	NA	NA	NA	NA	NA	3419.278	NA	8422.1175	NA	NA	6314.6925	NA	165303.42	9065.864	NA	NA	5615.8675	NA	NA	NA	7449.248	NA	4562.28	NA	4521.3885	NA	20970.79125	NA	5133.42	8618.036	NA	2282.28	22625.655	55554.20133	NA	NA	6885.441	125249.5133	NA	1724.6925	2310.308	NA	NA	26456.9	2847.1625	NA	8553.42	5643.7644	NA	18243.42	8608.128889	NA	NA	45124.512	NA	NA	43200.366	NA	NA	2282.28	15413.0472	97793.62	NA	10685.99625	3932.1175	NA	7412.28	57297.9225	41200.848	31827.6825	32228.52267	8605.941	NA	25301.24625	NA	5104.1505	47224.12125	5720.9305	NA	7296.366	NA	11223.366	NA	11962.1316	4583.245333	45045.57625	8553.42	22128.4225	NA	NA	NA	NA	25135.90267	6196.378	NA	NA	NA	NA	226086.366	NA	17484.5656
C204	"Eucalyptin (5-Hydroxy-7,4'-dimethoxy-6,8-dimethylflavone)"	326.1154	C19H18O5	Flavonoids	Flavanones	3122-88-1	3	28484.703	43725.75433	4004.239308	2499.473077	NA	60614.80977	4204.083	23963.92008	21702.506	38713.70392	30430.31115	12339.85385	19373.55108	4165.201385	6878.607692	73119.03923	NA	17833.81977	13947.25931	3148.047846	NA	17098.82538	18569.15169	15991.42677	3798.484308	5990.413333	36322.734	18908.56385	17810.35675	4065.114846	23163.05077	17867.44885	20982.94262	8081.27775	NA	2098.548	3012.24	2592.09	33079.77692	NA	16193.95615	22335.80025	2228.21	12106.02923	23231.74608	NA	13618.40538	44803.53877	16192.40054	10752.295	3870.414	4534.320538	15108.491	11568.71308	8218.653333	20579.39369	21835.48	7950.618667	24769.41654	3726.266	6733.16	28956.0575	54254.46525	6225.512	4032.699692	28810.44192	23350.502	10818.7645	7616.8365	3830.512	13448.315	8083.8015	6543.257538	7898.76725	1399.986	NA	4850.142857	5998.818357	2719.553714	6745.688571	13201.2805	4736.204154	3830.512	NA	2783.225143	16426.20269	3450.423214	2661.256667	NA	13781.23846	8220.096462	NA	NA	2139.433333	3793.26775	NA	NA	16925.105	13958.90936	10328.37921	7656.237143	5841.563733	12287.83693	NA	10106.95385	3259.008	11809.86523	NA	5558.580857	NA	3752.322143	2277.749143	4836.646154	3049.7905	46002.55938	5873.078077	5176.89425	11701.92331	42595.31769	20140.8875	6369.291429	NA	2213.261286	3294.364615	NA	3694.046308	144135.0244	6579.597	10922.73267	14636.146	7448.124923	9806.678	9026.337	NA	10594.0164	4166.002077	7222.253067	68689.79169	3002.658214	4682.616923	7718.865	NA	12173.66238	2679.26275	6281.548933	15759.226	NA	2037.499	NA	22007.71671	5438.302154	2173.341333	8222.287462	80104.49369	NA	3684.790133	3013.055	2978.825	20281.08231	NA	7799.328	NA	1834.072	8159.824769	2535.943615	8823.722923	3630.338923	2559.012615	19911.92769	1532.476833	14623.78931	18603.08123	15267.31546	2958.842308	3524.32575	12106.46769	3046.229923	53686.77231	3563.080769	13442.2436	4612.886571	5594.639786	18454.02533	3130.007385	112241.8484	NA	6045.996077	30892.98493	5572.553077	8219.907231	4944.090462	NA	48402.528	NA	2969.248333	13322.57862	14468.695	NA	2891.948462	3862.32	4275.086462	14517.35223	20351.10246	5673.705692	5740.714615	13023.66331	3830.512	3056.128286	12811.86475	3557.571	25079.10185	5263.27	4134.371538	6728.004923	65755.83
C205	Hesperetin-5-O-glucoside	464.1319	C22H24O11	Flavonoids	Flavanones	69651-80-5	3	199930.62	60893.5416	475322.62	182022.2438	119509.9668	186731.3176	64796.86125	64123.61	816495.9863	578564.8164	61537.22062	149618.62	NA	71915.2164	40219.1104	372078.7164	261011.5092	197245.3688	64668.3176	101617.1176	65426.1435	1356229.908	335846.1176	29206.13625	161658.9176	16530.6435	261011.5092	NA	183237.7092	110645.45	133805.2092	113297.1097	36296.9176	385581.4092	20466.06413	NA	4614.022286	249412.3176	NA	11222.44533	964681.612	75145.3092	204294.2363	457864.5512	29560.3175	37132.93175	21857.916	61976.69029	17131.22687	103596.5176	324519.2612	160339.3176	112615.9488	257232.8625	3905.602	522377.8875	19861.9416	12485.628	130909.3612	398527.1176	165592.6164	164098.908	26413.41829	47513.27867	254214.62	2632.63	NA	71080.01788	NA	99637.7176	56099.4188	10458.614	226463.0996	3272.616	21105.40457	24457.32987	108217.9453	27112.73625	479165.28	9902.778667	173450.62	184482.7344	26373.40229	296872.9164	14456.628	236466.6027	323309.9176	NA	175328.5092	206494.0164	537245.28	161487.4092	46346.62	10543.936	9337.659429	255079.6092	9158.616	4610.8275	196628.3176	100718.616	7317.66	192581.914	17898.1512	283721.9176	595325.28	135410.426	11882.27867	24390.908	NA	582717.924	294956.616	147803.1176	73905.5176	424952.7707	9158.616	149122.7176	39064.62	15155.91437	46382.95	NA	193989.1176	NA	47463.1092	NA	36755.0744	106235.7176	21741.26933	32343.0188	9194.6744	4012.008	28986.60267	154237.3092	57089.1375	17196.4675	30824.1845	13931.80533	NA	32972.9116	NA	NA	59407.92	NA	174010.3092	86957.8875	NA	67453.02638	23760.7176	37581.68914	19182.7344	139737.1092	77001.6375	27668.853	NA	NA	NA	NA	3966.61425	54226.3344	93301.03425	17280.19886	17132.853	52696.25143	NA	125912.7451	46337.86875	50980.62	219505.4003	94486.2732	NA	251566.62	109320.45	NA	NA	3327.66	89553.4596	31621.96571	NA	13896.83888	190030.3176	282340.3344	1448180.679	69516.62	78685.77525	31625.39543	137885.2164	224781.9332	142521.3175	201692.5092	45630.7344	90400.5176	28440.27525	19200.84788	6598.9092	183237.7092	25129.7332	48310.51486	12462.366	45623.8332	21242.63625	336555.114	209295.912	373445.1212	305850.62	422939.7176	666428.616	461889.6362	470782.3344	542529.5104	502318.3104	298835.1112	374190.5332	201673.9344	125797.68	119305.0092	45453.26933
C206	Hesperetin-7-O-neohesperidoside(Neohesperidin)*	610.1898	C28H34O15	Flavonoids	Flavanones	13241-33-3	2	35404.216	23515.6885	41296.8864	12823.97875	16486.22875	53022.699	31392.7848	15321.75125	34617.6864	NA	48848.547	16745.06333	41647.23933	55550.22875	35415.105	20973.2005	114681.4295	33872.4075	37849.35375	50677.605	34797.47875	47961.91867	51289.80375	60445.605	98123.6795	50667.22875	26260.047	41511.60375	45502.58533	37849.35375	32365.047	45784.22875	32973.105	45173.85375	7945.047	18321.04583	55550.22875	37249.047	30387.44	47615.35375	32362.605	21369.22875	57991.72875	NA	43964.547	57361.4505	11100.699	28083.35375	8589.1795	29298.1025	25031.47875	23649.8125	42130.605	22197.699	80952.6795	30828.699	52498.35375	35217.9275	41673.1275	44572.605	19538.10375	28826.4295	42259.57267	34187.10375	36391.9505	32966.35375	138999.9275	46565.62625	37238.97875	20758.85375	34187.10375	20941.6575	36884.91733	132712.9512	35158.4505	34804.605	36018.22875	40901.22875	14188.9505	37509.752	49486.05167	47014.605	20348.199	35407.85375	31135.22875	48576.752	9251.199	17710.605	18833.5876	NA	39070.10375	25333.9275	11721.9505	18449.91867	31250.00125	28693.72875	8021.4505	29920.605	40290.85375	58205.50125	21581.199	35417.547	23935.089	17303.1775	35407.85375	NA	57695.1644	8612.585333	40301.547	20148.47875	25907.2005	12273.681	28362.699	20391.9275	NA	18506.2005	10388.46483	41511.60375	8551.35375	12955.4505	36215.6644	10382.47875	28693.72875	22240.67625	30666.1795	46394.60375	8634.699	12886.42778	12955.4505	15976.93167	8612.585333	29914.47875	18449.91867	20152.605	18317.35375	29310.105	30899.92875	33576.72875	38182.6575	28091.547	23485.42875	13437.105	16268.21325	66847.9295	26874.21483	39891.3632	10999.04817	17190.9644	17310.18	22589.97875	19542.105	23941.6644	48836.10375	6157.462	47154.70375	24428.547	172465.2895	44193.7644	68978.47875	10467.4836	35422.3815	24716.1775	40159.9275	33707.3775	65286.955	8624.90625	36643.54817	35407.85375	42130.605	84993.62167	22165.386	18588.717	40598.61	20944.5896	34854.55867	31754.547	28416.92625	37859.547	44272.91867	NA	NA	NA	37688.9275	21986.547	36760.738	28095.3815	48190.6775	38056.7644	76378.9908	56655.1575	25146.9295	38601.32617	21989.54817	48818.30375	15879.105	19882.21125	31326.4692	14090.3215	28089.105	14047.605	20152.605	32355.97875	20941.6575	36628.60375	26671.7412	42253.8215	25213.08533	61660.62917	37859.547	42732.35375	24826.205	77774.906	74866.5632	23207.547	79712.05375
C207	Hesperetin-7-O-rutinoside (Hesperidin)*	610.1898	C28H34O15	Flavonoids	Flavanones	520-26-3	2	38589.773	12737.3125	20765.547	18927.72875	15265.47875	32365.047	31862.62625	12338.7005	29914.47875	NA	39691.047	14662.54817	36025.605	89089.21467	40299.105	15189.7876	43342.72875	31709.97333	43953.10375	39284.1644	36018.22875	32746.9275	47014.605	41520.105	56174.547	53719.10375	25641.85375	39691.047	36018.22875	38868.0864	23200.35375	22814.199	29607.7005	31135.22875	6787.9505	17096.60375	40901.22875	48450.4295	20941.6575	57381.35375	37254.1315	16685.4275	45191.71483	NA	29920.605	42121.97875	13566.699	35407.85375	16577.2644	19619.678	34797.47875	18498.699	54725.08533	29914.47875	34797.47875	33583.605	39680.47875	32528.1632	26354.3775	36025.605	18843.435	29304.10375	45793.605	28979.199	36025.605	23810.72875	143324.1775	54529.75125	25641.85375	14044.72875	38459.72875	22173.1575	45191.71483	101706.7012	11546.145	44572.605	26862.60375	34797.47875	12268.6795	43248.6775	59705.962	54872.199	28089.105	35835.6775	18317.35375	70199.22875	12912.91733	9272.4275	11605.605	NA	28979.199	24555.3644	8021.4505	23368.58533	25736.37625	18449.91867	6142.7545	11071.91867	29658.1775	52691.87625	8589.1795	17096.60375	21448.00125	15948.1795	24716.1775	NA	62874.72875	6752.181	61043.60375	7404.7005	28083.35375	12273.681	14044.72875	6785.199	NA	17100.105	14188.9505	17706.97875	10388.46483	9254.9505	50677.605	3624.9385	39284.1644	18927.72875	11683.584	26252.22875	11608.047	12978.9275	15881.547	6824.090833	9871.7005	31135.22875	28172.0715	18936.6315	7401.699	19731.699	29304.10375	35572.1795	46803.1575	22100.5644	20157.79817	14173.0908	14655.10375	20356.4505	22594.605	51193.9505	21378.96483	13527.584	27198.18	10992.85375	18931.605	32355.97875	56467.7644	6785.199	36636.105	12823.97875	195870.1228	28095.3815	39691.047	5518.625	29316.54817	19547.21483	44484.1775	33924.9505	60360.28833	9307.4715	27484.79817	38306.6775	33876.3896	66518.62167	18368.90444	15450.314	26453.61	39418.5896	25246.9872	17706.97875	18534.92625	26435.584	38683.0668	NA	NA	NA	38670.4644	19437.6864	38798.4075	16486.22875	36453.4275	29040.4275	59574.205	37569.3705	12361.1775	28112.11	14217.30375	29304.10375	10312.3125	18408.681	21880.8912	12253.5715	21984.105	12255.23933	20259.4644	32966.35375	19094.4075	31135.22875	15550.808	33583.605	26947.5715	73025.7632	19156.4275	19032.0644	25726.57267	96757.23933	65942.547	22245.1775	69603.105
C208	Naringenin-4'-O-glucoside	434.1208	C21H22O10	Flavonoids	Flavanones	-	3	6941.55	NA	21795.29167	97519.4426	64190.88	NA	NA	4878.124	30866.4675	82554.5448	NA	NA	NA	30194.71563	NA	6641.9136	28082.5185	39133.973	NA	NA	NA	38945.77958	208452.09	NA	22702.5072	NA	103480.821	NA	NA	32770.89433	NA	NA	NA	17001.62614	NA	NA	NA	8160.378	NA	NA	48206.1935	NA	43661.346	105074.1668	13345.6222	NA	NA	NA	NA	NA	11220.1695	NA	NA	17449.48	NA	17514.9672	NA	NA	6330.9576	NA	4513.91775	8448.206667	NA	4850.370167	31926.276	NA	NA	NA	NA	23755.438	9616.059	NA	NA	NA	NA	NA	152265.96	NA	13534.14625	NA	32620.0688	54303.38667	NA	90162.88	10405.92438	42723.4176	56526.16725	NA	33043.0029	14187.38167	72596.81143	39535.17575	NA	NA	NA	38999.36	NA	NA	NA	6873.4125	NA	24926.11867	NA	12144.825	41262.94688	16827.58	NA	NA	NA	8736.1164	29832.495	5553.19275	NA	14917.0605	NA	11557.141	NA	NA	NA	NA	22198.914	NA	NA	NA	NA	14572.635	NA	NA	NA	NA	13483.62855	8846.595429	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	9634.216	15569.38167	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	14762.988	NA	NA	24971.46875	NA	NA	51220.85	27935.5472	NA	NA	NA	12357.762	19529.01786	NA	NA	NA	135606.384	336319.349	NA	31638.62062	NA	NA	54487.713	17594.8035	35383.425	NA	8599.3798	NA	NA	NA	56527.322	NA	NA	NA	8870.043429	NA	NA	13692.0853	22315.932	20083.4565	37720.8155	12857.27625	27312.9228	104808.7705	18037.195	62795.33067	30174.77225	57567.75175	18383.62	3145.535714	7705.03875	3497.7024
C209	Aromadendrin-7-O-glucoside	450.1162	C21H22O11	Flavonoids	Flavanonols	28189-90-4	2	28879.02933	NA	26622.19733	53239.864	1356878.074	1108318.864	174783.7813	29977.155	29736.366	83154.973	320245.1656	82343.783	NA	131706.614	8496.672833	32692.941	329265.9656	29841.252	42599.3148	13155.93	644005.4148	120736.18	166299.4062	48798.036	944424.5148	524976.84	48660.1575	NA	33756.16111	124800.6725	986656.7656	108237.1644	NA	79175.655	124944.8148	NA	204011.62	104500.4148	NA	186278.0148	71383.532	11368.4095	37217.5656	61268.6725	967224.4063	472752.7463	13159.10288	NA	43411.6644	38056.1148	28562.90267	14589.366	15976.282	38932.01333	NA	33821.41867	NA	15895.675	39661.798	379364.0148	2481439.527	53186.1575	110561.4487	486706.1725	31728.532	6272.28	NA	6174.366	17394.366	50423.032	11402.28	NA	17955.366	3970.032	842202.5148	15487.941	77736.04875	46266.18	129694.864	NA	20075.941	37130.40267	25531.9225	228304.032	92007.366	9540.366	69476.80517	NA	19953.42	121397.1725	354536.9225	32863.798	7995.51675	25458.78125	832614.7968	430186.1656	10720.512	2269.864	12345.366	16360.512	NA	83181.62	3992.28	126530.2988	76020.93	90745.67125	NA	92469.9656	14190.04875	7717289.899	50200.512	NA	20320.51467	43401.71	NA	49356.4225	11223.366	11789.6175	40856.67375	45537.74625	11915.29625	128430.9075	NA	NA	85774.816	15861.864	1168101.371	64104.9225	21499.40625	2282.28	23014.6175	NA	NA	12912.1175	41117.71	NA	50549.9148	14595.8675	10768.032	14162.864	228669.0088	8527.1595	30460.512	49124.90267	NA	NA	188084.798	464794.4184	NA	10831.93962	44274.1988	977621.6575	NA	NA	25080.19875	NA	NA	374906.9	7397.1625	17001.798	93050.2668	78361.0644	6174.366	145339.155	48713.91375	13602.798	11784.366	612285.1968	26194.6316	47591.665	128596.512	6270.6685	NA	NA	92444.0472	737911.62	NA	57731.42283	NA	42736.9475	64021.298	396321.9718	253197.8668	333271.62	212785.5728	30847.56933	37659.62	91536.78	11999.06933	21227.50937	324191.7656	33065.7	10802.4325	60886.3644	NA	134167.3644	NA	100325.7	35346.84	320856.9	49636.512	141981.8148	20397.399	NA	102984.8652	NA	150452.6987	39310.06463	74885.20889	35742.4225	58065.2304	34337.79825	787635.3656	34524.03375	78938.7656
C210	Dihydrokaempferol-3-O-glucoside	450.1162	C21H22O11	Flavonoids	Flavanonols	1049-08-8	3	11052.7755	9422.5275	50488.4315	75878.7525	73650.10462	11829.942	7989.988	8225.550667	57714.183	74537.9508	NA	25048.34667	4206.3	15274.24267	7037.527	41305.236	49470.183	50929.4855	23908.9855	6282.276	NA	114197.4225	61321.9855	15859.886	23774.634	13270.582	53020.737	NA	35043.183	39999.87875	15611.662	23989.5065	2967.952	33266.1924	NA	NA	4016.012	42890.0508	7014.506	NA	91720.683	9237.5025	17515.913	52220.9844	8937.437333	10840.91	18608.8325	11440.737	NA	10398.7355	66518.2355	20125.236	37892.8856	25768.683	2015.027	27057.162	12516.255	NA	NA	24908.3	3014.514	6345.339	15324.2496	17888.67771	14362.00125	6282.276	3987.973	6190.6845	NA	18559.6845	16652.162	NA	22313.0235	NA	14733.38533	6261.075167	25197.0888	9227.3868	45887.2565	1975.944	51833.292	65199.309	NA	68213.08375	10296.174	42246.4315	79714.97625	4091.2025	49470.183	30913.6815	78527.83125	23866.96533	17155.20763	9310.136	16910.339	38810.252	5063.6236	NA	60531.348	16564.14	NA	34425.258	7192.9096	43821.34533	70966.348	21799.30133	NA	NA	6261.337333	14390.88533	40338.1125	16830.309	32822.25375	56328.258	4084.08	19490.0025	14345.4856	NA	11418.96533	2028.5675	26539.95375	NA	8355.013333	NA	NA	24908.3	15165.1224	NA	5288.839	NA	7279.234	17673.4855	4926.438	9359.4855	4051.0675	NA	2921.3388	5969.964	NA	3123.9855	25941.632	2105.297	32833.236	16634.2355	NA	7144.08	NA	5090.632	6905.944	29065.2512	8140.132	NA	NA	1064.5995	NA	3019.527	NA	8476.236	NA	6241.7355	8150.238	11443.51875	3147.872	7199.552	3123.234	14363.7525	55653.183	NA	NA	25024.33867	14390.88533	NA	NA	3127.164	42545.8	18960.318	3158.706	NA	23588.12625	107908.3	103931.2355	NA	58250.4	5206.662	50760.04217	114391.683	12490.162	33400.348	5104.08	12477.2355	10945.467	NA	NA	77949.9855	NA	7219.683	6124.08	23707.683	2043.078	3991.3	4052.069	53958.3	28065.9855	157733.6347	46958.34667	58108.3	118948.3467	98157.20625	113654.0813	44306.9315	57879.33375	49045.01333	NA	NA	NA
C211	Dihydrokaempferol-7-O-glucoside	450.1162	C21H22O11	Flavonoids	Flavanonols	-	2	18321.105	21467.4295	88962.1775	145824.6787	57372.2244	NA	NA	15449.9275	139617.6775	122653.6795	7431.714	10508.10933	NA	39542.1775	NA	30350.00291	67340.9275	106664.6412	NA	16685.4275	NA	93915.60933	294114.6788	NA	29199.7771	NA	151972.6775	NA	40777.6775	134675.6775	13596.6775	35572.1795	24590.6379	48521.3397	5546.464	NA	NA	30275.9275	4979.641333	NA	146431.4427	12268.6795	42013.1775	94988.37667	NA	22107.7668	25740.57733	25951.6775	8652.274667	25336.10933	60102.1795	38638.4295	55736.2155	45101.9275	NA	37509.752	41091.4295	NA	32746.9275	30275.9275	8036.9275	8654.609333	14108.4295	NA	42639.55375	2479.714	NA	50043.9275	NA	63141.714	42317.9295	10018.2575	17787.9295	NA	NA	NA	38638.4295	22693.9295	38638.4295	NA	351395.9295	248206.205	NA	140235.4275	6151.584	122825.2638	168034.1795	6801.4275	167416.4275	92263.444	292261.0538	117378.6775	13495.1795	15449.9275	NA	136528.9275	11655.4295	NA	106259.1775	42483.86817	3624.9385	115525.4275	NA	60360.28833	115539.776	102573.4287	6112.444	10162.39375	NA	NA	66105.4275	75598.6352	69811.9275	182883.6093	11123.42625	54605.181	25827.91867	NA	14721.6795	1234.585333	42630.9275	5574.714	NA	4909.6795	10508.10933	31511.4275	NA	17972.934	NA	NA	75998.44267	43248.6775	6870.4955	9206.181	6136.1795	NA	NA	NA	NA	NA	45728.92875	NA	98228.4275	65340.96483	NA	16067.6775	NA	NA	NA	90826.44267	13437.105	NA	NA	NA	NA	NA	NA	14633.0013	48136.2513	NA	NA	10507.9275	NA	11743.776	NA	13896.0792	153208.1775	NA	NA	123904.7575	11145.714	NA	NA	NA	110451.638	7370.5632	NA	NA	101955.5538	349897.7037	1096787.44	11068.91733	151991.9427	32533.4644	36637.83375	305174.6775	64869.9275	127357.3408	11709.4908	25427.44	NA	NA	NA	279285.6788	8814.990545	18639.96125	14114.181	21476.181	NA	3111.637333	35835.6775	59310.1775	45060.2575	622444.0686	96371.7575	216517.0788	245054.3287	155769.1795	155832.4386	100081.6775	126012.6473	77568.705	5529.7632	23482.60933	25342.944
C212	6-Hydroxyluteolin 5-glucoside	464.0955	C21H20O12	Flavonoids	Flavones	-	3	211184.62	54879.98625	548804.62	180765.7164	NA	221700.7176	59632.95	NA	661085.2092	461797.9164	73234.6164	96998.5176	NA	82094.62	30962.60267	369682.95	144911.9669	210254.0069	60049.7176	90972.26057	83802.5176	1214544.908	342036.5775	NA	115472.9176	25794.7344	245193.1092	NA	175987.6092	141782.95	127873.3092	124577.8092	32866.4435	346035.4092	21103.11771	NA	NA	242814.3176	16616.01875	24427.25275	1089997.518	82999.53829	168737.5092	416783.3512	NA	52727.908	34740.008	67967.3176	23602.2648	92379.9176	277008.8332	158359.9176	81823.1176	182606.3104	NA	421487.8875	NA	13861.77867	123270.1524	404465.3176	180799.612	107424.908	31866.6375	65328.1176	261288.7176	NA	NA	53007.95	8596.966	122070.9176	64018.2188	NA	211720.26	NA	14529.12775	11884.3176	101915.13	21847.3416	456589.5176	10507.0744	160971.1488	251567.8875	14521.3164	215770.7787	17762.45125	254499.9765	275804.3176	NA	154133.2693	153746.4453	643505.28	144350.8092	33657.7176	26353.39429	NA	223349.7707	NA	NA	143844.3176	88120.45	NA	168752.8675	11210.908	700928.9675	620313.9188	116255.926	8550.13	22545.978	NA	455759.1032	223951.936	161664.4453	63348.7176	440105.9373	16471.936	102276.9176	45022.62	NA	60910.62	NA	197947.9176	9233.908	29667.4092	NA	36956.7176	75225.1176	21099.1092	56759.3188	NA	NA	30985.6092	196914.978	46953.1344	34317.5176	NA	NA	NA	22823.912	NA	NA	50167.92	NA	112054.9092	83319.1344	NA	50649.54067	36565.2385	33626.832	17852.1435	117327.7092	NA	27024.272	NA	7914.9555	NA	NA	NA	46953.1344	111574.7051	NA	NA	37365.6648	NA	132527.9512	80093.49375	64008.5176	192435.908	95798.4732	NA	229583.5164	94745.45	NA	14589.978	NA	112971.645	36252.908	NA	NA	161658.9176	273744.7344	765511.974	68627.1176	53395.0092	19844.1125	130628.5164	187099.2332	141055.3092	158709.036	54674.60267	81163.3176	17803.6092	22457.84914	NA	152260.0092	15213.2332	55431.1176	NA	64092.92743	19197.59667	173877.2332	86949.26933	335897.0188	323619.474	535765.5176	344423.5176	528887.9332	423837.1344	518139.1104	491771.1104	208283.5092	314691.5332	251263.9344	119286.908	131827.9092	34940.2092
C213	Apigenin-7-O-rutinoside-4'-O-glucuronide	754.2033	C33H38O20	Flavonoids	Flavones	-	1	NA	NA	1001.976	NA	181679.2065	1944.92625	NA	2969.1765	1991.4075	28650.6765	29732.92667	15791.892	NA	27634.56	NA	NA	75981.22667	1981.896	7751.6775	NA	NA	18710.208	22141.36533	993.6765	243158.265	100972.3624	1980.892	NA	NA	53296.89467	NA	NA	NA	2957.438	20864.2095	NA	20748.6765	36286.5648	NA	39834.9556	11847.89333	1992.4595	1981.4265	7907.9265	95194.008	NA	998.958	NA	11845.892	993.6765	5950.0764	NA	NA	NA	NA	23538.9636	NA	NA	10907.09333	916.969	2001.306667	NA	56257.39467	123404.8592	916.969	NA	NA	1007.012	NA	10838.94	916.969	NA	NA	NA	98657.892	2985.7095	999.2095	2969.928	NA	NA	NA	NA	NA	NA	21250.848	NA	31406.9732	987.389	NA	52831.30667	75788.658	NA	NA	NA	90361.158	NA	1006.008	NA	NA	4920.898	NA	NA	NA	34978.4556	NA	40208.1648	NA	23538.9636	NA	993.6765	14808.948	NA	5927.893333	NA	998.958	14717.7648	NA	NA	10909.53375	7951.9595	988.6465	7816.5072	NA	NA	18941.472	2984.958	NA	9938.4595	NA	1988.949	1017.569	NA	1828.9705	NA	NA	NA	3941.938	NA	NA	NA	37266.9648	NA	993.6765	17767.89333	NA	NA	36924.8568	NA	NA	NA	1001.976	88382.958	1000.2155	NA	2966.922	NA	961.736	NA	NA	NA	15794.56	15778.552	NA	NA	9724.6556	NA	NA	111777.3648	4785.736	1900.794	NA	NA	NA	NA	NA	112769.266	961.736	NA	NA	1001.473	1000.467	NA	73506.4595	124130.958	38247.3648	4945.928	NA	6920.1765	NA	2960.91	NA	NA	998.958	8753.3556	2987.964	25661.22667	NA	24674.56	10833.438	NA	NA	18049.01	1976.4115	NA	NA	NA	60027.936	8624.1445	NA	6963.964	8754.2568	7782.0556	54274.56	NA	27460.1636
C214	Apigenin-7-O-rutinoside-4'-O-rutinoside	886.2467	C39H50O23	Flavonoids	Flavones	-	2	9438.288	1042.4675	NA	4194.19	1187149.809	NA	4262.384	4212.309	6306.3	40945.39733	186121.809	39953.8075	NA	221872.809	NA	4236.232	96547.06133	4215.0072	2112.8195	NA	1058.0605	22087.809	92516.3075	23049.19	891638.384	301830.288	5285.55	NA	NA	124898.896	1025.617	1070.6355	NA	15750.896	42974.288	NA	108285.0575	21066.318	NA	82042.8105	38833.728	2102.288	5294.290667	1064.851	561868.2895	3162.912	2114.22	1057.809	25227.0072	43126.74667	14778.79875	2129.369	NA	NA	NA	53031.31733	NA	NA	5276.718	3167.64875	2103.291	NA	209606.288	266865.0072	NA	NA	1023.8565	NA	NA	14681.7895	NA	NA	1062.5875	NA	522477.5575	5271.318	1060.827	12664.22	NA	NA	NA	NA	NA	NA	125967.246	NA	33654.309	NA	NA	198078.288	169338.0605	1041.9645	NA	1064.5995	459402.5575	2109.309	3166.0695	NA	3162.912	9428.373333	1057.5575	NA	NA	33654.309	1064.851	31429.19	NA	75584.39733	NA	7298.0896	14580.246	2087.7445	9411.2316	NA	6315.309	12585.2895	1047.4975	4248.09375	14681.7895	1052.694	2071.134	37694.37467	NA	NA	26206.288	NA	NA	10479.19	NA	NA	15829.22	NA	NA	1059.318	NA	NA	26270.568	7356.064	4194.19	6316.8084	36666.69	NA	4212.309	2111.412	1020.064	1060.827	32709.22	NA	NA	NA	NA	826027.2895	NA	1055.797	9471.912	1061.0785	2107.061333	NA	1057.809	1057.809	16832.412	47897.6355	NA	NA	22093.41333	NA	2102.288	371531.396	10501.728	7351.7375	NA	NA	NA	NA	NA	562916.5395	NA	NA	1041.9645	3146.69	3166.0695	1062.5875	182469.8013	119632.3947	121574.288	4200.196	NA	39953.8075	1030.8985	8440.218	NA	NA	1046.9945	10489.194	1056.3	45129.728	NA	41995.49625	17883.912	NA	NA	74414.288	NA	NA	NA	1056.0485	65979.34625	12624.309	1057.809	1056.71	NA	20964.192	343140.3947	NA	70222.288
C215	"Chrysoeriol-5,7-di-O-rutinoside"	916.2849	C40H52O24	Flavonoids	Flavones	-	2	7366.809	NA	2108.8075	11576.9156	389534.351	31761.351	7352.797	9530.5995	11600.59733	33682.5225	79375.0995	57158.46667	3167.2725	129125.1333	NA	NA	84406.33	4252.369	15885.968	NA	6355.8495	42346.351	75142.0995	7384.324	794419.22	220259.5973	12708.351	1059.5695	NA	122233.7627	40060.432	134579.0773	1059.5695	23189.096	35833.096	1057.5575	80490.354	59023.09733	2105.7985	46569.3495	121951.3075	2108.4	9526.232	13805.869	450668.702	33875.13333	1059.318	4252.369	26466.8	19058.46667	13764.632	NA	NA	2108.4	NA	71474.306	NA	1056.0485	18056.1205	68353.809	32595.0575	3181.0995	99068.764	311109.4653	NA	NA	NA	NA	NA	19984.809	1057.809	NA	7399.28	1056.3	397369.4816	2134.26	NA	14914.26	8402.297	NA	NA	1062.5875	3166.216	24351.851	46465.11333	1054.5395	52831.339	1055.797	3156.3	319319.9307	239170.8495	NA	3169.827	NA	243386.7987	9480.7725	5264.208	NA	6355.8495	7287.662	NA	1053.785	NA	30889.26	3166.821	86219.2156	NA	60112.827	1061.33	66691.851	37977.3285	NA	13679.5156	8328.162	4236.232	35844.432	1055.706	5276.718	22087.809	9589.26	3149.5365	49238.785	1062.232	NA	34702.2144	5261.706	4240.351	25314.327	NA	NA	19055.46533	2122.8495	1057.809	1068.1205	NA	NA	4264.26	24192.5156	1062.734	7415.851	61983.702	NA	1067.869	25404.3495	NA	NA	81487.29867	NA	NA	2114.22	1057.306	493124.4293	1060.827	NA	4241.132	NA	3160.809	15852.672	1059.5695	NA	21152.684	56571.285	1054.0365	1067.869	19113.369	NA	2115.428	127502.096	9479.64625	6336.33	NA	NA	NA	NA	13708.264	131316.702	NA	NA	1057.5575	10533.0225	4264.26	7387.827	197594.306	67302.2168	102214.096	9474.3156	NA	39170.851	NA	4241.8	NA	1054.5395	1064.5995	22233.46667	6315.309	34779.42933	NA	42056.3075	9559.869	NA	2122.0575	95692.809	NA	1057.809	3181.0995	5258.4	86791.8	18969.321	NA	9469.809	16941.8	24357.6025	237417.202	1067.869	70456.809
C216	Isovitexin-7-O-(6''-sinapoyl)glucoside	800.2164	C38H40O19	Flavonoids	Flavones	-	3	60888.74625	45935.3244	87370.4	41760.5244	26401.18125	126591.5862	61894.11375	46146.582	63678.2244	69940.4244	73414.5832	63348.05625	33494.279	51742.3075	28090.4	143511.108	18730.4	82859.8844	9512.3075	37688.37333	28512.43125	104372.5232	72372.8844	147690.4	58454.1232	74524.995	66473.44	39855.582	48031.9268	53709.318	13659.9976	49301.7375	59646.7125	36747.37125	55640.62125	29236.1244	35927.339	69042.276	76633.12125	51393.9832	83516.5256	30449.62125	77080.3075	38717.08625	51153.8244	50340.582	43005.1832	45413.18375	24910.0488	75504.582	37670.96125	40904.082	35664.9832	77246.3244	20997.99375	66136.87125	63000.5976	75570.297	54539.7832	26107.5256	17692.662	41952.582	77669.297	54903.05625	136724.1232	34457.9256	40907.9832	48896.27625	37462.162	170611.4025	18733.162	82359.0575	47420.142	54551.98875	41956.5832	45413.18375	125244.5232	154156.7832	95446.7375	85802.9625	76938.264	102202.142	105372.6432	37762.1832	100726.4913	93936.5232	50686.2684	83910.4875	47237.995	74735.92	93972.3075	70730.4	37585.7244	222371.9888	147815.5575	24988.164	23081.7832	27297.495	92916.5575	87077.49	NA	135315.3637	57980.54	41184.8075	97541.6844	79781.99625	83516.5256	37585.7244	36888.6432	71310.582	114324.2375	64304.54	34357.164	52512.6	77071.18125	99712.995	102765.582	130212.6	39887.297	60837.1844	112226.7375	207662.9875	28515.8075	86087.9964	87691.7256	45939.7256	20049.22	63458.02625	92080.4625	71405.7988	27276.1832	69531.6512	68650.4	50686.5575	42146.321	63363.05875	39855.582	57728.797	23947.164	57685.5832	39891.495	50110.1244	44049.582	98571.582	202982.9625	34454.6244	100438.4613	199359.2244	27434.10533	183500.082	51497.3564	23935.662	26251.12125	59789.2375	62922.582	76623.995	61393.662	35668.3844	33810.5625	60195.43375	44053.7832	30285.6268	90490.4	135269.082	90183.582	107513.6244	105063.0262	48293.24625	43852.1256	71631.5325	111972.5888	45102.3832	42808.3256	39896.24625	146130.5244	58782.495	94989.2244	1045.4855	36538.5232	42804.2244	121638.582	121812.6	14571.162	172239.5256	55130.4	44895.9256	90805.7232	46474.56	65467.0575	78136.0575	207635.3832	119005.7256	42240.5575	NA	38851.2475	48890.4	47199.5832	33410.9244	14776.10533	NA	54909.5575	58459.7244	125553.44	49342.87125	34854.43375	28195.1256	33798.55875	46146.582	100658.9808	46184.297	96095.18375	36717.0844	96042.1256	41141.5785	38841.995
C217	Luteolin-3'-O-glucoside*	448.1006	C21H20O11	Flavonoids	Flavones	-	2	70763.538	NA	107353.4865	88453.538	144014.034	81285.534	15663.48	22690.235	69879.038	257540.238	17683.536	42411.534	NA	43295.034	NA	70076.548	109681.538	38395.235	12216.7335	93416.238	81152.82	139596.534	35343.534	13779.444	125211.478	49629.37444	93654.534	NA	26852.15867	14155.538	43642.7365	NA	NA	94262.2365	NA	5474.469	NA	206092.038	NA	52845.68686	152780.238	18448.5195	51275.536	142263.4865	102549.1825	9727.536	8833.532	NA	NA	61952.735	46247.735	36227.034	13256.034	37173.54	NA	68110.038	4350.978	NA	20939.2335	28261.969	155416.65	19200.235	34518.54	28291.536	104374.538	NA	NA	13271.038	NA	25654.038	NA	4432.914667	22086.5495	NA	60842.5741	NA	87569.038	NA	101607.801	NA	36208.298	23853.0495	NA	211089.7335	NA	67225.538	180064.548	NA	24881.554	24539.676	160007.536	82940.238	45388.2365	8698.478	22091.034	185480.1334	24741.534	NA	46101.546	29152.5495	NA	54751.298	12176.478	74167.735	102930.7335	35383.538	13385.1675	NA	7121.106833	379788.8427	72734.0075	21963.66	NA	39239.94286	NA	21243.54	23555.9835	NA	42459.538	10309.104	50364.801	NA	4421.034	NA	13263.536	10617.538	58314.534	23885.038	NA	NA	20072.735	22091.034	NA	10611.536	20072.735	17936.16286	NA	12057.444	5459.4972	NA	21493.00667	NA	15705.7335	13263.536	NA	NA	13094.34875	NA	NA	23885.038	29176.4205	216512.6292	877.9865	NA	NA	NA	NA	NA	31809.534	NA	NA	4328.46	NA	173582.9835	8727.7335	93311.6825	17460.2365	399709.3815	NA	161195.373	39267.735	3493.49	NA	NA	NA	55825.644	NA	NA	69845.238	172633.1434	263424.7335	24349.478	16818.54	16809.038	46274.238	33169.7365	48971.6825	74163.40114	45561.00343	35540.78914	NA	7002.996	NA	49479.534	26852.15867	45494.54375	NA	50813.6705	NA	38815.99	NA	34499.038	70683.534	48501.20457	23858.034	19473.54	90120.534	32693.034	174053.034	26187.7365	56579.536	26508.534	38058.54	46829.034	23106.6825
C218	Luteolin-4'-O-glucoside*	448.1006	C21H20O11	Flavonoids	Flavones	6920-38-3	2	NA	6195.038	115873.038	152736.4865	154616.034	83936.034	13923.48	14139.534	81194.238	299444.238	14147.536	21817.735	NA	48596.034	NA	66528.548	144923.238	44801.446	21811.4835	79608.538	56547.534	178470.534	32721.444	33169.7365	199118.978	31526.755	98955.534	NA	27068.238	15924.538	61918.538	8693.476	NA	79425.4865	14927.0165	5751.0792	NA	200785.038	NA	50727.80012	214763.238	13179.0195	40140.235	137899.7365	56000.946	18331.225	NA	10605.534	21811.4835	58347.536	34460.034	44178.534	25300.4835	59369.238	NA	120479.238	NA	NA	26508.534	26538.538	242786.4522	20072.735	20358.54	49078.20171	110566.038	4015.011	NA	11502.038	NA	31845.538	NA	14163.30571	14784.978	5193.46	21819.48	5469.644	147542.238	NA	133113.48	NA	37974.298	43284.5495	NA	213810.534	NA	98654.238	245702.548	20374.90675	34655.054	13957.232	191831.536	91670.238	30943.536	23363.15714	40141.98	112589.9865	36639.7335	NA	28371.546	27386.0495	31387.766	80358.298	21203.2995	96305.034	87470.034	23885.038	20058.469	NA	NA	293165.235	102526.5075	25407.504	NA	18252.476	NA	27068.238	31406.2335	NA	52385.238	6074.202	63617.301	NA	26472.57125	10617.538	9597.232	29192.038	68060.235	33179.238	NA	NA	29670.235	18084.444	NA	NA	12925.946	10475.235	NA	18578.038	11680.00057	NA	NA	NA	16790.034	16799.536	NA	NA	37089.11543	38525.25375	5241.492	81166.008	25322.238	230015.915	5600.457333	NA	NA	NA	NA	NA	22974.534	NA	NA	6282.588	NA	184922.2335	14833.4835	68110.038	24442.2365	582403.2937	NA	220298.373	35777.735	22020.56233	NA	4307.87	NA	70697.9865	NA	NA	98654.238	142304.238	261680.2335	30435.978	17703.54	33155.64533	54131.238	36247.536	69879.038	27333.644	32278.4835	19200.235	11489.034	4426.038	NA	74217.534	30829.67333	50639.238	1311.618	20084.238	NA	43099.06857	NA	41897.2365	99839.034	23898.54	27392.034	32306.238	124577.034	51246.534	136062.534	52730.44362	79402.735	27917.2335	68099.238	62732.034	16809.038
C219	Luteolin-7-O-glucoside (Cynaroside)	448.1006	C21H20O11	Flavonoids	Flavones	5373-11-5	2	243088.7707	35997.5952	134965.272	364541.976	406756.467	104402.2155	23788.6884	41752.68875	149368.4745	1101357.964	41774.967	16912.467	3020.533333	77576.967	16060.014	117956.7627	226183.936	69424.6	60670.467	78389.104	23867.9655	337141.467	78805.91	161033.964	353969.466	10937.2125	516232.0933	NA	13921.964	17893.4625	117533.976	16852.0872	11837.916	288265.964	40770.2155	5968.4625	17828.2776	379079.272	NA	6914.56	580501.964	18004.7952	110521.9205	166470.91	66603.964	28828.6875	45327.4115	29848.4685	20878.6875	49566.26267	87521.967	104454.7185	17828.2776	104167.936	NA	314524.7707	NA	12003.995	61664.967	31885.9775	70721.976	15779.944	54586.272	10942.7155	289841.976	6977.976	NA	8967.7245	23909.976	76417.60533	15923.94625	NA	48556.1884	3135.258	39795.9685	6905.944	454589.514	3984.9685	129596.8905	10117.55388	69704.632	115793.3875	12951.632	710078.967	52718.445	126288.288	380707.964	13880.2872	112553.976	24088.014	771135.596	61757.976	40841.976	9723.888	11835.944	121548.4775	50548.928	10051.368	78610.97	34006.386	21862.961	55965.6405	NA	77897.944	38781.7155	77409.93867	8032.014	13895.936	10802.389	181427.944	175512.3573	69710.1405	20074.014	11981.988	13795.91	41678.93733	21890.4685	12780.69875	54995.4964	4084.08	140269.6975	12810.712	NA	13934.69625	13949.976	58769.976	111295.9363	13043.012	NA	5981.965333	13795.91	23987.988	9931.272	18737.944	7935.928	13871.88	2988.7155	36130.014	NA	12022.006	21891.69625	1950.894	40638.928	42577.5788	NA	42151.014	8956.467	39004.1976	8958.7185	67318.2776	7901.226667	26891.2245	2008.008	NA	NA	NA	NA	12928.6875	35807.967	13922.4375	15977.98	4876.398	6963.964	52727.7185	6902.6615	56561.43733	7911.954	66649.82125	8028.012	112013.896	24653.944	9914.592	NA	NA	23909.976	86305.014	2957.438	23990.3892	31813.964	84495.964	157136.967	57061.6035	58000.3976	23861.964	189012.4475	19920.9745	27003.8964	32807.81375	13932.4685	47583.92933	54703.467	NA	NA	136183.964	1980.954	24007.1976	36978.6892	11957.976	19895.967	9723.888	9105.7248	90619.2245	332035.1615	33878.4775	27755.928	49641.27467	380630.988	156142.467	610087.936	22791.0848	171102.9685	67051.944	18998.11875	20881.31375	19902.44625
C220	Luteolin-7-O-neohesperidoside (Lonicerin)*	594.1585	C27H30O15	Flavonoids	Flavones	25694-72-8	1	3355200.095	177575.936	2153897.209	4700002.488	5413686.057	1548001.515	217027.892	228014.5973	1595143.936	8616812.722	617590.467	794316.942	9929.604	1305784.467	64992.4964	1747434.763	3727989.568	1148357.933	516151.467	1067717.976	322142.9655	5772535.47	1338602.967	2222540.875	4167752.403	172615.936	3233198.158	19723.944	108172.272	374054.7707	1156679.936	210100.3905	107479.916	4951969.585	546911.514	11911.936	59675.967	2764164.936	62190.012	71573.964	2546316.377	157762.4373	1481312.771	2574415.836	552644.7707	158567.928	507485.2627	293442.5973	175380.4115	362774.9293	509189.967	1976961.552	161114.967	1548519.936	3989.976	4435626.24	26890.96533	73440.60533	498250.467	277959.7275	517925.976	198241.2627	934253.976	124287.2155	2667190.057	32873.976	15056.514	144839.936	170321.976	630891.012	50801.976	7963.9685	381906.6405	29450.889	232932.096	47583.92933	3790338.599	90528.2185	3584854.234	10941.1875	652169.632	1278820.4	72636.889	4217101.668	380288.964	1044057.955	5912383.568	85396.389	865177.2707	305595.2707	9026149.626	954173.976	484061.976	66764.8905	591603.944	3076509.663	411942.942	48822.2275	645474.432	210058.464	7973.976	870818.1405	105548.632	1048121.944	796400.2155	618521.976	124568.479	71431.936	74599.889	1840042.792	1774936.832	653274.6333	189245.976	192428.8905	116391.7185	510953.976	214871.9685	165667.968	524864.104	26755.92533	1299570.467	35348.8905	36811.7185	65741.976	194472.604	402827.604	1091098.928	103210.6053	10843.6615	6878.1405	139762.4293	249781.9293	41685.93867	165092.967	110999.928	51548.596	18896.7155	637820.5964	1002.2275	11835.944	153793.7707	NA	292352.928	207161.7627	5915.91	352227.104	109449.944	130025.44	35689.92933	469820.9293	78402.272	212640.012	3016.016	6920.4	5983.4775	3988.9745	2988.7155	61449.928	474776.7627	44758.467	62430.42667	32701.6872	11933.964	526228.7185	39415.9115	784656.9745	136949.9387	665324.514	8935.936	928590.6373	225040.5973	26764.928	22348.386	76404.77067	170660.604	843491.272	17910.945	84257.096	435569.104	655830.104	1850736.135	289622.1405	637971.104	359561.976	1797123.605	229121.4347	335416.6053	410350.9293	182382.596	160160.7185	791950.096	19061.012	6963.964	1449257.964	38849.976	164707.604	103089.2627	181604.9387	142735.9293	96603.8	264609.4685	1318375.936	3312314.466	321794.7275	189955.467	581710.608	3555406.021	1594526.928	7493349.76	215308.104	2142164.905	645257.4293	161731.104	464554.2185	364133.104
C221	Luteolin-7-O-rutinoside*	594.1585	C27H30O15	Flavonoids	Flavones	3563-98-2	1	2397746.496	90619.2245	1497438.939	3288395.592	3571782.552	1418263.821	187567.892	143751.264	1214215.936	6755404.87	362851.944	233883.928	1001.976	1202356.467	80373.43733	1379711.929	2931870.563	775491.2667	370954.467	917762.104	278395.9655	3603538.926	1074251.928	1416067.605	3429606.432	138415.2245	3360758.042	3004.7325	90664.7275	212331.604	708161.976	110943.6405	80346.43467	2839533.956	195497.6053	1991.936	20890.467	1974655.188	31762.60533	48911.98	2456765.398	169668.4373	1148936.937	1596508.928	400587.964	180369.928	247799.596	149699.264	126877.2627	255728.9293	393434.928	939049.9685	102098.096	1033671.936	5981.976	2714441.003	8960.445	16060.014	279516.9293	173666.272	473271.4373	122360.2185	715133.976	97442.4655	2003960.374	30765.104	11957.976	48148.012	144864.2707	680748.6053	32749.43733	8955.94	250352.1405	26506.389	120930.2627	39654.596	2215412.919	26614.413	1638546.64	4963.762667	439096.9653	790007.9	56932.889	2927091.96	295671.464	711950.6213	4701534.516	28177.386	676289.976	225101.976	4519456.396	628481.976	230081.976	48795.632	290419.7627	1917976.515	226946.928	50616.93867	616905.97	223995.464	17076.032	593425.2987	88805.7365	572981.9685	722825.7155	488235.9387	86701.479	61511.936	42210.389	1435430.219	1595544.332	399337.1333	95255.93733	86645.46667	108433.7185	455177.976	245817.2627	105079.892	322462.104	16757.442	891278.8	23567.8905	31725.26267	53789.976	113114.9373	260957.976	710554.928	110156.9387	8873.1615	5977.69625	100115.7627	191303.096	53593.93867	110008.928	111310.91	40790.7185	10942.7155	416717.9373	2994.7275	6905.944	117083.604	1992.270667	210099.928	171479.7627	8928.429333	206378.604	56494.928	116130.44	41375.91	259635.7185	68242.014	198160.2245	7975.9775	6920.4	3963.96	NA	8066.091	40780.467	320154.7627	31533.9115	43604.59333	29458.3905	7945.270667	490635.4293	15869.264	524573.012	79579.94625	434576.9373	10034.012	806843.6465	183404.5973	19827.928	22580.389	23903.9745	116988.5976	614262.272	11911.936	45764.4685	290440.4463	506969.976	1164628.763	208136.8905	480077.976	239045.976	1365458.605	199366.4347	194505.272	415811.4685	130318.2185	129850.7627	551096.596	17866.93733	7957.964	972015.4267	37853.976	140895.604	79301.26267	145880.9387	80292.42933	59907.892	171508.5973	741839.7245	2469969.492	262019.7275	167486.928	351012	2518148.122	1076233.928	5193590.208	120060.104	1668141.429	490635.4293	216300.2707	327278.7185	235151.4373
C222	Orientin-7-O-glucoside	610.1534	C27H30O16	Flavonoids	Flavones	-	3	198739.809	52529.202	191333.8075	132430.204	87861.851	78335.351	15748.797	28579.0995	251073.702	298488.204	33652.206	34936.851	NA	63516.351	27338.8075	173599.26	71472.204	101592.4653	75177.6025	26279.204	3181.0995	421289.351	177792.3495	41112.324	40086.8285	1055.706	170424.851	1068.758	76747.5575	67286.3075	54710.312	71499.07733	16939.132	474158.4293	11605.827	NA	NA	57891.71	12618.306	NA	259251.4307	23133.8075	99049.26	177834.351	7375.39625	13763.5995	21171.3495	32812.0995	4239.3495	18109.26	154510.8495	80433.3495	30695.5995	77741.202	NA	428814.306	14724.74267	NA	96375.354	105156.309	16826.3075	26444.94875	27345.309	2125.32375	126156.3075	8420.208	NA	23192.764	2121.234	66250.809	32602.809	4239.3495	156271.78	2110.742667	NA	4239.3495	51517.5575	23288.132	218651.076	1064.5995	51674.718	231235.9467	10566.78	125967.851	2112.216	90435.309	165876.839	1055.797	79920.309	76690.702	458228.5995	29448.309	18928.8075	NA	1059.5695	106306.71	4240.351	NA	57108.82375	48362.076	1057.5575	61985.803	4097.1365	47627.5995	240285.851	85177.809	1057.5575	NA	1029.138	76218.351	124673.339	59170.339	31543.8075	88306.40933	3190.869	44179.8105	21171.79867	19016.448	7366.809	NA	104956.297	1056.0485	2122.790667	1057.809	12621.3075	40995.306	11649.851	3160.809	NA	NA	1067.869	33870.3495	21088.432	8524.26	3190.869	NA	NA	55735.809	NA	NA	16830.309	NA	63904.26	35986.8495	1059.5695	13714.827	NA	2109.309	4264.26	71967.3495	4208.4	2107.206	5264.208	4168.164	1059.5695	2115.8285	1057.809	9530.464	16938.3495	3181.851	NA	6291.285	NA	7459.26	NA	6309.401333	87260.0575	7365.0575	2108.4	39086.616	29644.351	NA	9468.909333	5264.208	62044.809	8416.3075	NA	NA	37934.428	78868.809	142870.0995	5274.216	64117.306	13710.432	75872.42933	28461.93067	12624.309	82569.351	NA	19058.46667	23269.792	3166.5156	1068.1205	66683.46667	2108.734667	10524.208	16958.357	7365.0575	25410.351	NA	25380.45733	314404.809	162966.132	331861.068	107941.4653	241793.8075	480565.351	377890.851	320731.851	123031.809	231817.851	156701.3525	4223.764	24327.12533	24190.809
C223	Tricin-4'-O-rutinoside-7-O-rutinoside	946.2685	C41H54O25	Flavonoids	Flavones	-	2	1056.3	NA	1056.0485	5241.69	25362.339	3175.839	5311.746	1062.839	NA	9451.797	23249.339	13719.104	NA	16883.104	NA	NA	18859.19	1061.833	3175.839	NA	5276.718	61181.8285	16888.44	NA	105456.327	114783.318	5281.770667	NA	NA	13695.318	67368.42	64346.0785	NA	8384.19	9483.318	NA	29588.339	31596.318	NA	7401.839	64025.797	NA	4232.339	3175.839	31588.42133	62243.60533	NA	1062.232	18960.318	NA	5281.770667	NA	NA	NA	NA	13698.5695	NA	NA	6345.339	84221.75467	31596.318	12684.339	16854.318	103365.7707	NA	NA	NA	NA	NA	13653.995	NA	NA	NA	NA	71848.339	4232.339	NA	8447.105333	8441.53875	NA	NA	3181.851	8447.105333	41140.43733	18987.0425	NA	12765.3795	NA	NA	93680.92	32709.22	NA	NA	3121.990857	32757.839	31603.8195	1045.4855	1055.204	2112.8195	4184.18	NA	5314.248	NA	15853.839	5279.22	40020.318	NA	16848.42	NA	95963.718	25184.392	NA	19958.7976	28484.43733	NA	57921.318	NA	NA	8430.318	6334.22	NA	17940.60533	NA	NA	14705.24625	NA	2117.770667	9431.69	NA	NA	6304.1832	NA	NA	NA	NA	NA	2115.8285	NA	NA	1061.5815	45285.318	NA	NA	41209.839	NA	NA	23203.218	9482.421333	NA	NA	5271.318	25278.318	NA	NA	NA	NA	NA	49673.5905	NA	NA	13725.722	4252.248	NA	1062.5875	21105.10533	NA	2105.7985	10484.192	6323.42	1061.0785	1059.821	NA	NA	NA	1055.204	16854.318	NA	2129.369	NA	6323.42	4233.05625	14772.8285	29404.1964	18897.297	13690.92	4194.19	NA	13779.808	NA	NA	NA	NA	NA	15828.43733	NA	10536.318	NA	14738.52	NA	NA	NA	43179.318	2113.218	NA	11641.69875	NA	23249.339	4219.7175	NA	7377.318	14781.222	8430.318	60027.318	3175.839	6324.318
C224	6-Hydroxykaempferol-7-O-glucoside	464.0955	C21H20O12	Flavonoids	Flavonols	-	1	497365.809	128258.8075	1498614.624	338589.309	259848.208	277333.351	64025.797	129338.706	1909988.763	1991261.301	89381.706	435049.851	NA	132556.208	52529.202	998171.851	595155.309	239629.26	243518.8525	103053.309	26379.22	2485958.056	582559.26	266668.324	217231.218	12634.21	589590.851	16833.383	245998.8075	254588.208	190418.312	261295.164	79879.26	3275007.483	29460.208	6307.202	NA	358906.71	35755.206	14751.8195	1461809.38	120900.0575	279450.351	768934.26	30497.706	91015.8495	84164.208	220819.206	NA	153364.26	863285.706	361892.208	85175.706	473068.8075	14706.3	995774.706	28097.662	13673.706	319373.46	317859.21	70488.208	83072.706	138934.21	NA	271420.208	10503.7985	21031.3075	32631.71	26304.208	362315.9013	111569.21	NA	364688.216	24249.66375	NA	19054.8495	134566.3075	42336.3495	868198.164	14751.8195	352207.218	991825.0875	45326.216	371183.706	26412.5875	445211.71	812012.5365	NA	337214.702	175771.71	882212.706	96788.208	62072.208	NA	NA	851476.71	22096.208	7368.208	336484.206	108216.162	NA	139431.162	NA	165089.706	745872.208	152616.71	NA	12634.21	12658.218	256692.208	634962.839	297373.218	85216.208	442216.662	27694.26	271420.208	49424.706	102486.839	53681.71	NA	255967.162	NA	6205.134	NA	32616.208	112514.706	27343.206	23139.309	NA	6331.218	18109.26	92074.0995	104104.809	41012.706	21304.26	14821.8495	NA	275499.309	NA	10591.351	48327.202	NA	219064.0995	187316.5995	11570.706	49415.0575	13849.26	10501.728	30702.851	193666.0995	28394.706	NA	15748.39467	NA	NA	31396.736	NA	35772.208	100948.206	NA	NA	19773.662	NA	22096.208	11576.208	43046.0485	276485.0575	17811.69	NA	187006.839	130999.26	13754.8225	27057.162	8420.208	140972.208	60978.8075	NA	NA	161898.8075	308240.208	724487.706	51650.216	140905.206	51529.809	218508.202	82060.208	71574.21	270368.208	30512.208	116776.208	114200.4587	14702.7985	8465.790667	262514.351	15791.71	57864.208	69825.46267	48327.202	68384.208	NA	67332.208	1523800.235	1178618.348	1125606.3	393265.206	1630635.925	1684256.208	1171932.208	1384095.36	947751.4541	593824.851	568354.21	23159.21	115779.21	63124.208
C225	Isorhamnetin-3-O-neohesperidoside*	624.169	C28H32O16	Flavonoids	Flavonols	55033-90-4	1	44702.2095	16891.2095	96684.64	58801.472	45672.4565	78257.424	37469.55333	15755.938	111221.958	113236.4595	37659.59333	31781.958	NA	45327.4115	13907.958	63557.958	63011.938	39755.9625	28737.25867	19051.51	34472.1585	171566.2667	72326.592	14904.7095	45356.22	3932.5624	81242.592	NA	58835.7648	47681.9595	61571.958	142779.966	998.958	156316.008	2982.53375	988.438	4926.438	93465.4655	NA	8945.2095	93371.4595	17944.972	44690.958	53110.008	23050.008	14900.958	17828.2776	32774.958	9017.506	6711.229	74480.958	33696.26	18833.76	53809.97067	NA	113608.972	6901.712	1991.958	40632.09333	126584.64	37881.30667	44690.958	14778.94	15893.958	59797.972	3941.938	999.964	9971.304	6984.64	50661.7095	22931.30667	NA	36691.449	NA	8942.958	7902.86625	35762.9595	3943.94	99130.9475	NA	30755.968	89238.966	9866.22	152570.592	3969.966	26823.7095	89911.952	NA	62787.472	50837.97333	115954.928	11775.3636	1991.958	2954.1465	7887.9115	145545.6413	1989.258667	1992.4595	27569.938	4961.466	NA	46334.21867	1986.966	32699.92533	82233.25867	45729.964	NA	6958.7095	997.449	142639.924	39585.937	38674.449	5910.938	61463.4475	5907.936	24924.64	6891.936	5922.886667	9848.938	872.202	36700.7005	NA	993.6765	999.2095	10928.958	25823.958	10903.424	6958.7095	998.958	NA	4961.258667	25823.958	NA	1989.258667	10871.1765	2985.7095	NA	2001.306667	999.964	NA	6946.03375	NA	32783.2095	15858.592	903.1365	10928.958	7933.258667	11823.94	NA	13779.936	16748.94	7901.226667	988.438	988.6465	NA	NA	878.238	18720.91	8873.1615	1989.258667	2967.893333	6944.466	NA	4970.958	3970.592	999.2095	42758.7155	12802.438	999.2095	29743.4475	30788.958	NA	NA	2987.964	15909.964	15913.9655	NA	990.91	5987.973333	31949.31867	49549.59333	8792.1072	27914.64	10833.438	45394.56	18882.461	13961.30667	39634.592	1991.958	15765.91	60448.76	5913.94	1988.924	39634.592	NA	9918.65875	5910.938	NA	7879.938	19823.964	25765.25867	241241.6413	89182.92667	53681.964	82219.424	119647.976	185262.592	177367.0933	141011.958	35445.938	76289.25867	60438.592	14867.8848	30507.936	20934.472
C226	Isorhamnetin-3-O-rutinoside (Narcissin)*	624.169	C28H32O16	Flavonoids	Flavonols	604-80-8	1	57614.4595	20937.97333	97344.4595	79525.964	45570.924	65543.958	25769.964	19693.938	118172.958	101317.4595	36668.76	22844.958	NA	18830.592	18941.472	66536.958	58607.7095	46096.008	32675.2776	16895.461	31703.924	229082.9333	53503.92533	20688.94	45614.949	3941.938	67373.25867	990.91	47681.9595	30796.7095	65776.972	46606.449	2984.958	140284.008	6958.7095	2015.027	991.1615	56817.97333	NA	990.91	94143.03375	6958.7095	52634.958	46251.936	16891.2095	16036.008	4926.438	15893.958	5839.4556	2985.7095	78270.592	33696.26	26760.42667	59787.97067	NA	122081.938	5949.964	2921.770667	31714.59333	82731.30667	37881.30667	55165.91	11927.961	20801.88	59585.958	8945.2095	2011.014	2987.2125	4926.438	31895.972	19693.938	NA	33531.888	1988.949	5963.958	5965.4595	43708.9595	8897.928	213068.964	NA	48321.888	59493.966	3969.966	179275.91	2980.449	22977.32267	83718.712	NA	57804.972	44857.97333	114963.928	7951.9595	3981.964	1988.949	2006.73375	133583.6413	1989.258667	993.6765	73329.59333	11900.9475	1994.4655	47597.949	NA	39634.592	140018.958	37758.961	NA	5965.4595	900.873	115896.424	63171.948	22601.5725	17947.97333	68402.1975	4930.91	18944.64	9938.4595	6948.2005	8951.964	NA	33714.966	NA	NA	NA	6983.472	19937.972	7949.958	993.6765	991.1615	NA	4930.91	20034.006	NA	10905.25867	4930.91	NA	NA	3941.938	NA	NA	8020.008	999.2095	34769.7095	13779.936	1991.958	4970.958	6939.7764	8977.973333	1991.958	17879.958	10971.30667	5968.4625	NA	NA	NA	NA	NA	12914.958	7879.938	991.1615	993.928	1988.4475	NA	7885.91	4970.958	9972.972	46676.958	5965.4595	1993.964	25778.4475	19693.938	NA	NA	NA	19941.30667	9916.886	NA	990.91	15909.964	24794.3956	59457.92667	6944.466	20937.97333	8951.964	40871.30667	17941.97067	11936.9655	29795.958	NA	12795.936	42613.76	6898.94	1988.924	30718.592	NA	5987.973333	991.1615	NA	7933.258667	32725.449	14867.92533	142555.1413	95700.365	69774.64	70333.424	87743.976	133747.9253	179348.76	130885.932	24920.472	106256.958	62564.958	22867.964	15765.91	22862.2125
C227	Isorhamnetin-3-O-rutinoside-7-O-(2''-O-glucosyl)glucuronate	962.262	C40H50O27	Flavonoids	Flavonols	-	3	20616.0625	10803.5625	12104.4924	5104.08	5991.992	21684.00857	10948.06875	3995.992	9168.108	10096.054	14132.054	4633.704	8164.156	17075.91375	7144.08	15945.9405	6114.108	12068.54875	NA	4008	3907.2945	17075.91375	15821.4572	NA	15879.91875	10169.066	14495.414	8985.992	13110.8912	11105.054	6817.548375	9030.9252	2979.7716	14833.3572	27403.45183	1985.4385	5941.0584	8150.108	14834.8584	13224.393	14728.5625	5104.08	10887.5644	5940.4572	19083.66375	4917.315	5029.41375	14149.3176	2042.6095	32325.7176	4084.08	13123.054	6004.996	16133.6912	7069.054	17533.62667	8848.8828	28663.856	19081.2875	NA	10804.93875	13846.6584	6124.08	12858.4584	38783.16717	3934.8125	7923.9385	18148.8912	18653.5625	23191.4936	14836.3596	18188.5176	17502.2604	21096.30483	13849.4608	3060.108	15178.09067	45184.41375	14741.784	35141.2875	22207.9068	25827.93	24738.846	2953.5625	9033.6288	18899.916	5908.58125	13809.55333	6115.6095	16811.2584	1972.3125	18148.8912	10047.5375	57531.4175	41516.2584	3064.08	6878.5625	2976.4584	23102.04	21617.9852	NA	28311.1075	6127.082	3935.31375	19773.8572	16811.2584	5941.6596	18148.8912	NA	7132.108	20071.35867	9036.525333	13750.815	15072.80483	13139.5176	21758.862	12977.992	23016.6024	6075.089333	18787.6584	16079.3905	35089.0264	3814.5125	6784.912	21320.45417	4025.0375	3881.08	10004.664	36622.17	19897.44375	NA	18079.78875	17141.2912	28283.7164	10109.1164	9893.8584	7068.096	12857.1572	NA	3963.937	18275.203	929.704	9221.0784	19321.393	64632.9164	5052.3055	39394.3176	15819.856	4007.332	41516.2584	8904.7572	15821.4572	3035.1924	24067.2276	7010.336	41516.2584	58315.6584	6932.437	3052.064	14132.054	5007.165333	2993.445	30243.0924	38384.5176	29293.4164	9894.8596	14922.66483	7115.703	11051.2875	8013.6024	30882.1905	4025.53875	6876.389	16136.8936	37167.2925	9895.8608	10051.29125	NA	8072.8912	8124.1425	15944.606	31365.3576	11870.2584	24741.8704	13110.8912	8904.7572	22740.4584	12005.99867	22914.27267	14149.3176	40523.9572	19156.4912	6005.997333	NA	11105.054	NA	17967.992	12934.8315	1015.3055	NA	3064.08	7917.4584	21086.16125	14119.8924	5104.08	3995.992	7923.9385	16168.9176	15845.4752	7859.8125	17073.7875	5052.3055	22323.6425	7171.52	24194.4912
C228	Kaempferol-3-O-(2-O-Xylosyl-6-O-Rhamnosyl)Glucoside	726.2007	C32H38O19	Flavonoids	Flavonols	-	3	33542.288	2102.7895	5241.69	51331.69	37984.22	50466.3075	9629.778	2109.309	9431.69	81748.192	28489.22	4222.218	NA	6331.218	4205.728	13675.809	44080.39467	18932.41067	29450.412	6306.3	23214.22	30584.718	30497.07733	13630.288	124907.234	5246.288	43117.809	NA	NA	2105.7985	33534.2865	7456.1355	3181.0995	53467.0395	11556.3	4217.4144	NA	47391.318	2107.061333	2112.8195	31488.39467	2102.288	20039.718	25284.3195	32492.192	9471.912	11578.58133	7366.809	12624.309	8444.22	9485.5695	18933.309	4222.218	13630.288	NA	14696.72667	1070.6355	NA	10541.321	11531.5365	47164.192	7389.22	20966.288	2109.309	27239.19	3113.4645	1030.8985	2112.8195	3149.5365	17826.5395	1054.5395	NA	4195.708	1070.1325	15775.0575	1059.318	33558.291	3160.809	46061.70667	NA	8518.384	15970.1355	3175.0875	40094.22	4263.3855	3151.0395	23139.309	1070.1325	16800.396	7342.288	106559.22	6294.288	9442.791	NA	20039.718	77519.19	4230.04875	2109.309	8418.309	2101.706667	NA	7291.4945	NA	12664.22	NA	11534.288	NA	4206.3	NA	123002.5575	57261.246	6288.373333	2107.061333	3198.384	1057.809	7340.192	NA	5241.0484	9440.5395	3160.809	23038.708	1046.9945	NA	NA	1054.288	3155.5485	49565.718	14669.19	NA	NA	1057.809	5279.22	NA	1059.318	2112.318	6331.218	4212.208	9431.69	NA	NA	11526.69	NA	3166.0695	15865.95733	NA	5253.797	8420.3105	13653.0485	NA	6317.412	6294.288	5247.5395	NA	NA	NA	NA	1054.0365	2108.8075	10554.22	2109.309	4219.3195	NA	NA	7380.821	1057.809	4198.194	1054.288	17811.69	NA	13617.208	4211.3075	NA	1070.384	5255.0485	8390.288	59740.192	1026.3715	3160.0575	7343.694	17822.288	10523.412	5326.384	19916.192	11534.288	41981.728	NA	1054.0365	7368.912	1059.5695	3160.0575	21036.309	NA	1059.5695	28396.809	3149.5365	1056.0485	1057.5575	NA	3160.0575	9429.874667	5263.809	24146.896	52581.309	1054.0365	2109.309	5255.0485	80952.5575	21036.309	88582.218	1055.797	27356.08133	7365.0575	5245.0365	21094.218	6294.288
C229	Kaempferol-3-O-galactoside (Trifolin)*	448.1006	C21H20O11	Flavonoids	Flavonols	23627-87-4	3	50266.7356	39195.7704	19168.3575	43174.4692	29829.4524	40289.47875	81852.1848	109815.486	17857.7175	53800.0692	37492.26133	29729.105	25853.2524	57120.5692	23017.76	34339.6025	20529.944	32455.7464	31851.75657	19266.8692	17274.5692	57784.6692	51857.1475	57662.8524	54817.72875	41095.3524	44596.486	18696.675	32553.7704	39144.46971	24579.6692	27369.04875	13276.32686	68410.2692	48487.2692	49158.7704	62433.3692	52471.8692	45556.78133	15356.29875	65753.8692	18644.15625	33769.944	41846.2692	69738.4692	17195.62267	21845.53425	54425.976	70179.944	31879.968	58988.2524	38047.04875	26514.42613	102644.999	15126.445	86821.6524	35755.944	41846.2692	53921.5872	37197.5692	69074.3692	38054.175	32475.3512	54398.64	79035.8692	27236.0692	14021.54875	27293.486	25881.808	47166.1704	29232.7704	44361.944	51035.8524	27725.28	57111.968	41816.30933	48440.808	40987.288	33733.29067	49767.808	84821.445	65460.78933	30556.5692	74906.6875	49104.308	45388.17375	29484.02	37492.26133	75984.999	52434.976	98294.7692	22484.956	31884.7692	35274.1848	77883.1872	71690.928	43265.486	27231.968	58393.308	71690.928	62442.7704	32144.43375	40609.5872	40478.808	52934.02	115454.308	45786.808	25654.26133	81028.1692	119293.9524	69074.3692	56809.605	45071.5524	26519.9536	97336.6452	55136.5704	110809.808	49198.1475	61778.5704	49592.78933	60441.0692	69528.4452	49815.4692	19840.28933	50443.976	70999.808	14574.1452	23227.808	79035.8692	27333.165	42981.12267	40383.8428	12612.5608	36610.486	43892.66	27164.31086	44509.3704	89262.78933	36423.4452	60092.92625	43838.5692	41670.6525	39381.79875	51698.5524	30427.7356	30590.89875	96099.4524	39151.808	29810.23829	91363.944	43752.7536	57784.6692	58466.3716	27178.6524	50449.1644	63771.1704	63559.944	58298.02629	32462.59657	75874.986	31783.944	68410.2692	61105.1692	60112.105	103295.5452	48333.944	150943.944	64754.175	34475.46171	90448.11467	65226.986	23177.944	12021.675	37787.5536	45741.1536	54444.18375	42388.7464	45078.3536	79699.9692	102741.9536	90039.944	69074.3692	45166.7692	47159.0692	44407.80225	42420.7524	44509.3704	39727.944	37827.462	72838.9452	88053.944	37119.1524	50989.6452	27904.3704	40895.595	42696.004	30492.1524	21949.6788	69725.4465	42330.624	37079.944	18764.02	27816.1452	33212.9692	93335.8428	64970.60571	38485.1608	48533.3975	51857.1475	60976.3524	65021.1608	55003.7512	80122.0452	94418.89875	34580.14875
C230	Kaempferol-3-O-glucorhamnoside*	594.1585	C27H30O15	Flavonoids	Flavonols	40437-72-7	1	3813785.694	158330.2245	1288056.605	5707087.968	4141454.388	1439598.69	281441.988	245517.944	1744936.368	8057600.16	563887.467	387860.967	6977.976	1570910.211	195221.976	1595766.013	3012309.9	1069024.6	467367.944	1549781.976	357935.9655	4932787.626	1270976.967	3010267.792	2872748.197	236994.4745	3296343.967	11942.9685	123434.514	328685.976	1044647.514	221045.9653	127954.4347	4449085.13	333665.976	16933.7245	63653.967	3541409.472	36112.012	57657.964	3050533.492	186562.012	1554733.104	1874125.686	545699.604	194927.967	269515.467	249688.2185	159125.967	312225.4293	523112.967	1603542.968	161114.967	1468109.976	2993.976	3949460.712	21387.888	36724.272	345097.467	255045.9775	709157.976	129169.944	1022897.976	145166.4655	2627981.856	48809.976	7973.976	97589.4745	250001.976	706169.976	42151.014	20895.7185	378361.2987	49791.29867	210892.9685	31725.26267	2369916.264	68643.7185	2902895.992	12821.944	478923.632	1077370.4	73687.29867	4355462.475	315799.53	980024.994	5427143.787	41825.96533	1167074.514	360557.976	6628201.281	782861.976	487049.976	59747.96533	433607.967	3238599.538	282372.9655	53803.4775	981075.97	266677.03	13049.514	769658.2987	113727.888	870252.2627	774999.944	679277.976	105634.979	51591.936	51139.53	1954375.378	2167881.82	548768.4865	137919.104	155693.988	125225.944	470117.976	229793.2185	167307.9667	497009.976	24855.964	982895.4667	24955.988	22885.2185	77693.976	179285.976	377489.976	803359.9655	120521.976	9948.4655	3969.966	124349.7185	236696.967	57788.4775	176032.467	111389.967	58486.76267	26081.68933	440237.976	1998.4775	5064.1248	181277.976	2016.032	218740.9655	231782.7185	3983.967	253010.4373	73598.967	156822.94	47753.9685	399448.096	81379.272	293752.2245	6979.7275	4858.884	5104.08	NA	12908.272	44602.928	440569.467	35499.944	35677.92667	21916.3	7028.514	698780.4293	30098.024	904146.9745	99630.9775	585653.976	25888.973	1054128.637	288485.9307	14919.7155	33854.964	59537.93733	201197.976	636093.6053	14046.012	100475.7185	393898.104	855569.976	1799563.662	347495.632	558761.976	335360.2707	1565909.939	208117.7245	288845.976	504344.2185	222029.2627	192987.4685	861242.967	12056.032	9945.964	1352839.964	61272.368	146848.604	131401.024	183589.6053	114373.467	92620.46667	265604.2185	1301451.225	4440704.193	328768.4775	269515.467	545228.2305	4210734.97	1768226.967	6768959.616	187527.4373	2081591.966	610782.4685	185261.976	653069.5253	327689.976
C231	Kaempferol-3-O-glucoside (Astragalin)*	448.1006	C21H20O11	Flavonoids	Flavonols	480-10-4	2	361264.014	27098.514	367529.976	882080.514	681238.467	225700.7155	47631.888	30109.014	219661.012	1235255.437	21884.967	67017.942	7533.8613	105505.944	17063.514	184479.446	344837.2125	93673.944	51275.944	144508.014	43365.942	774606.942	130155.944	267937.9387	777353.889	27085.012	359924.4655	6967.06375	24088.014	46142.012	85301.514	26513.1405	NA	540890.514	47168.514	NA	51745.261	259910.514	14869.386	12815.442	233069.976	25895.4745	130551.956	348080.967	73259.514	19705.91	32541.944	48583.264	37471.944	74939.944	76582.467	198955.9685	20709.944	108569.976	NA	522905.976	4962.1975	NA	105505.944	23739.956	57553.604	20709.944	90002.956	26069.01	326693.976	6923.454	7036.032	NA	32116.014	109331.012	25547.30333	8958.7185	48795.632	5171.634	34698.76267	20890.467	242851.014	6905.944	128307.888	NA	72655.3905	188377.884	6876.389	366976.467	73611.4125	125182.038	488059.964	NA	139490.514	45161.514	894759.446	133403.012	44825.976	9983.4865	68037.944	373599.7275	39423.942	NA	139305.97	72540.17222	17733.94	102063.888	NA	224811.944	115338.9655	61187.012	NA	10877.454	6804.386	253405.944	272918.474	48578.886	67238.514	8927.466	8877.944	63224.514	54717.2185	23331.888	61757.976	16849.25867	162244.386	5993.988	NA	12046.014	20921.976	65231.514	93465.4655	12040.012	5011.506	11899.0872	16765.944	42401.944	NA	29583.944	11835.944	22804.76267	11988.9825	44825.976	NA	NA	20843.43733	3994.64	35798.9655	36811.7185	3819.61125	32116.014	17751.944	25091.514	8958.7185	136916.1124	14053.014	NA	NA	6944.466	27883.268	22800.03375	NA	NA	77576.967	16740.438	9948.4655	NA	NA	57191.944	6905.944	60746.7245	13056.016	71252.514	NA	76660.3965	40429.944	7879.938	NA	9963.4745	18067.014	70721.976	NA	NA	68242.014	120424.014	147903.944	23331.888	79083.954	54193.014	159405.9775	24076.012	16060.014	63107.944	32541.944	30103.02533	142219.467	NA	10840.91	166003.964	NA	30109.014	16857.76267	22831.60533	8873.1615	NA	48317.944	180236.7245	448525.467	28102.014	21684.942	37882.4805	304399.4685	218549.01	1506005.784	14831.454	312357.4685	91522.9685	55196.514	88538.7185	15941.976
C232	Kaempferol-3-O-glucoside-7-O-rhamnoside*	594.1585	C27H30O15	Flavonoids	Flavonols	-	1	3594209.859	141402.4745	1139206.605	4807883.232	4748232.294	1221038.442	306183.888	192273.944	1688220.44	8305923.339	624551.967	338135.967	9035.514	1534030.173	97613.976	1659724.459	3926999.02	1133482.933	416095.944	1287833.976	258778.012	4646311.371	1361476.467	2245911.582	5348870.735	198160.2245	5720125.065	11901.92933	103615.9775	335360.2707	937241.976	213544.53	120019.768	4520002.916	270949.014	19847.936	45752.967	3371937.591	48632.272	87477.964	1930764.271	175529.012	1357553.976	2909912.94	516926.7707	183988.467	321229.467	274556.9685	169497.4293	354047.967	675271.467	1324018.218	134263.467	1403369.976	2993.976	3659708.376	17499.888	32882.2275	507485.2627	238109.7275	647405.976	116351.944	819713.976	151630.928	2529353.952	30986.7425	11999.49125	88627.7245	192233.976	788837.976	53789.976	17851.93067	487884.632	37920.4865	242724.9685	52261.944	2745390.65	49303.944	2306999.283	7937.262667	385040.985	1025911.413	74682.96533	3061910.084	366927.03	988016.994	5578809.387	50786.96533	802670.7707	329152.014	6913407.969	764933.976	749993.976	70187.03	389849.967	3063526.533	290326.9655	60777.2275	902470.97	350128.485	11957.976	763684.2987	62864.2365	724183.9685	759223.944	640433.976	85301.514	92263.936	55755.964	2161492.275	2725857.091	352532.9667	157553.514	130251.888	143249.9685	472109.976	266598.9685	171291.3	414449.514	21873.964	1417547.03	46763.1975	51161.024	75701.976	158369.976	317729.976	772538.2155	120080.272	11899.928	987.6405	99480.9685	237629.944	85348.60533	94152.928	120340.467	47331.944	18896.7155	538841.976	5983.4775	6005.3868	166337.976	1992.270667	251551.2155	269181.944	4931.442	381992.104	60458.928	131017.94	43774.9685	927112.9685	103589.976	256909.4745	4987.2275	5918.913	13953.4775	999.964	9003.2425	77305.928	480723.7627	33974.5868	38969.0868	32870.46667	10039.014	652561.9685	26773.93067	845397.7245	103615.9775	514937.976	27667.952	1165717.971	236756.4685	28597.944	26886.464	53776.4745	184265.976	685253.976	12950.7245	66654.2185	357569.976	868153.7707	3236202.45	313642.9653	759953.976	332669.976	1444568.477	170025.954	250997.976	468533.2185	220840.4685	153638.7627	710078.967	16052.012	11933.964	1263379.964	38555.454	186257.976	134410.024	126497.976	76582.467	99591.3	272567.4685	1260625.475	3190212.645	619681.7013	202171.928	553915.9413	4224205.875	1654853.967	7423942.968	151397.976	2286510.466	551097.4685	152393.976	454442.5253	308765.976
C233	Kaempferol-3-O-neohesperidoside*	594.1585	C27H30O15	Flavonoids	Flavonols	32602-81-6	1	2654450.637	155546.514	2435813.616	4565173.968	3824166.184	1477435.615	250999.968	202934.9685	1605132.996	8528361.552	473420.012	334157.967	16060.014	1086575.944	89645.976	1671016.861	4189918.842	957950.2185	452503.467	1346597.976	361084.012	4119143.418	941797.467	2065492.848	5407803.921	168287.7245	3674761.919	12937.7185	118559.7275	231077.976	1231061.976	226024.2987	110101.4347	4312212.285	329681.976	20916.7245	42769.467	2927345.592	45655.272	57657.964	3680549.404	167291.9745	1483049.976	2058818.356	427289.976	174043.467	279041.944	279041.944	263067.6615	311284.467	627781.6893	1574695.218	131279.967	1457153.976	3976.604	3806678.136	29078.7276	34123.014	522118.467	290910.9775	396874.604	139029.944	1055765.976	106390.7155	2920732.911	36857.976	9965.976	71699.9745	191772.954	774893.976	40144.014	8929.930667	440092.632	33376.889	215866.7185	45601.596	2470436.568	59163.944	2551346.908	13884.26267	502269.386	1148113.413	106544.2987	3902861.547	369338.464	936068.994	6850015.816	52778.29867	863014.014	249005.976	7903657.476	671534.956	408636.032	83643.96533	313273.467	2697546.125	297286.7155	47825.9775	936300.97	239923.464	13060.032	840350.632	94247.03	717811.944	994255.9655	554777.976	71247.958	83648.9745	71683.964	1702120.644	2297121.712	792691.3	197213.976	265895.4667	104454.7185	503981.976	239740.7185	126478.8	557950.014	20879.964	1340399.633	22915.968	29583.944	67238.514	167684.104	393425.976	976359.4655	131988.272	8877.944	7973.298667	124239.944	239870.2627	50616.93867	143702.928	190301.944	67407.26267	16908.2155	409772.7707	1998.4775	3004.7325	155381.976	4018.014	244591.4655	262619.9685	6902.442	269877.2707	67051.944	153428.4775	30843.2185	432722.2185	97613.976	248943.4745	12102.09	16687.1375	2994.7275	1992.270667	2958.94	101444.967	491288.967	45752.967	63637.9655	31107.888	9965.976	638635.4685	20709.944	834444.4745	159773.6053	530817.104	21906.973	1294244.971	226031.9307	19890.9655	21950.985	44003.1976	147413.976	971105.976	10959.2245	78591.2185	394890.2707	774890.104	2016058.356	264409.7365	574697.976	253889.514	1680028.272	204325.6013	238049.976	509532.024	183039.9685	188329.596	882501.356	12950.7245	15909.964	1358803.964	50801.976	100991.7976	132404.024	151834.9387	99455.967	79825.9865	246849.9307	964887.7245	3529392.984	378641.7013	205144.928	713678.9805	3882632.599	1617092.802	7531849.28	205181.976	2040820.096	609787.7185	165699.7707	490556.5253	226097.976
C234	Kaempferol-3-O-rutinoside(Nicotiflorin)*	594.1585	C27H30O15	Flavonoids	Flavonols	17650-84-9	1	3014194.887	135427.9745	1965161.784	4889433.72	4041113.078	1536764.501	262951.968	195971.7185	1989645.082	8795235.96	575821.467	394203.942	8961.57125	1394515.746	129485.976	1809102.087	4622239.872	960932.9333	454549.944	1105565.976	319056.26	6474877.029	1265041.944	1735400.52	4779327.806	194177.2245	4468370.281	15995.988	85683.4775	277814.604	1246997.976	193167.2987	101572.4745	4933374.21	423481.014	13918.4625	42448.9248	3084496.464	43133.012	38099.01	2793987.168	192185.7245	1329665.976	2523512.13	472279.2707	176497.944	308300.967	569997.7185	164541.596	315262.467	427927.944	1423265.024	147191.967	1382453.976	8900.454	4895700.456	22908.29867	38859.7275	420679.467	312828.4775	713141.976	107053.9293	1101581.976	142973.944	2740392.408	67733.976	15819.954	114464.032	142433.976	763937.976	30647.454	17851.93067	447062.2987	39835.386	225002.7627	30569.944	3271973.544	71627.9685	3582145.942	5972.967	547624.632	895825.413	81652.632	3639108.213	291453.886	928744.038	5207019.413	51782.632	778720.014	314741.976	8122353.993	681269.976	390437.976	42909.2365	247799.596	2802811.893	460822.928	54193.014	1083560.97	317210.985	21095.2755	766924.53	81821.4865	899259.9685	936589.4655	620861.012	115599.979	121487.4745	72679.464	2343859.793	2527251.332	567725.7365	177293.976	163324.6333	143959.944	349250.604	219845.7185	207141.3	449201.976	23783.92533	1020704.237	44827.968	32116.014	73428.27067	165341.976	300050.514	938199.942	122064.9387	13881.928	6946.0872	150213.2185	194927.967	54799.7275	192938.967	83251.928	44610.42933	22800.928	409432.014	2994.7275	9950.967	178289.976	NA	250556.9655	267622.9293	3983.967	305777.976	84538.467	103227.94	50289.944	462882.7627	74432.93867	199155.9745	3018.7755	2916.884	6979.7275	2969.454	12102.09	79287.928	521361.596	35689.92933	65626.4655	24903.8	10877.454	528299.7627	15921.9685	825482.7245	71735.9775	527885.976	13043.012	1007300.971	223825.944	21879.4655	27881.964	71699.9745	164345.976	637445.976	24076.012	89289.85867	369093.9373	686249.976	1365835.596	345504.2987	619517.976	730073.976	1735598.939	183223.9745	259961.976	531598.024	167123.9685	206170.596	814501.467	13043.012	17053.35467	1093405.964	23727.954	167333.976	114350.024	176297.976	97142.26267	86645.46667	260630.4685	1316387.475	1826183.988	435888.7013	245647.467	599052.7305	5272409.92	1452352.024	9434024.352	127997.4373	1796083.796	421253.7627	163349.976	432372.8587	339641.976
C235	Kaempferol-4'-O-glucoside*	448.1006	C21H20O11	Flavonoids	Flavonols	-	2	517925.976	21912.4745	238837.014	743597.514	624551.967	540057.942	41839.968	36485.944	327985.012	1511933.976	62659.467	81800.442	6247.162	196217.944	29772.93733	81883.446	733197.012	136286.7185	45359.944	65231.514	39775.9655	406029.942	181427.944	301677.272	380831.886	40124.012	587572.0933	NA	21923.4775	70451.77067	149525.514	14583.888	24996.9928	1224547.272	28889.976	4024.027	21992.1892	250094.454	NA	23645.91	621170.514	19080.864	212153.976	244285.91	54193.014	15917.967	27611.944	61385.6788	41636.92933	49303.944	93488.967	153819.944	16765.944	140441.976	10963.51917	392438.454	9766.706	NA	55697.967	18934.7275	57203.514	21890.4685	193874.527	23061.51	456596.514	NA	6923.454	17929.4745	32749.43733	110561.976	19925.976	NA	52038.6405	15547.886	38663.42933	11939.967	329681.976	6358.236	256242.6405	5972.967	75815.985	87715.413	22228.08	796783.014	82217.03	144860.994	666979.964	11955.96533	138449.976	82673.976	1122640.946	110561.976	53789.976	11978.9865	45139.012	456288.4775	41764.4655	17938.4775	98510.97	20617.389	19621.766	131223.888	9983.4865	107477.944	137212.4655	56376.956	10056.03	17055.012	9962.964	235761.7185	202452.974	89381.886	39845.976	9723.888	9953.4685	49616.27067	28597.944	38645.2872	79685.976	6902.442	215009.1405	NA	NA	15941.976	31757.27067	44191.36667	100524.942	13043.012	5016.51	3969.966	3947.944	47331.944	12046.014	30728.928	17735.91	14927.2185	8144.1675	68729.976	7879.938	16886.958	16903.964	2985.7095	29737.928	21695.944	11518.49889	40144.014	NA	29105.514	NA	116237.0067	5934.954	30647.454	4157.632	4936.218667	9935.958	9972.972	4972.2095	30835.467	97466.967	21635.43771	11829.942	NA	NA	93673.944	NA	84644.7245	18896.7155	126445.014	NA	91559.896	32541.944	17992.1868	16244.174	14064.032	41178.86667	123509.976	9009.2964	38663.42933	50417.454	99842.454	192938.967	53020.3905	111557.976	53189.514	267938.514	30647.454	36857.976	65231.514	26864.2185	27611.944	87230.596	NA	3945.942	199074.942	10961.976	27681.954	43137.024	NA	30977.8868	15444.9255	27858.9685	170688.032	478213.944	32882.2275	37796.967	78749.2305	662595.944	311284.467	1314981.78	37853.976	341960.4293	48575.096	62753.976	83564.9685	41837.976
C236	Kaempferol-7-O-glucoside*	448.1006	C21H20O11	Flavonoids	Flavonols	16290-07-6	3	16296.518	NA	55889.72333	83624.6444	86018.11111	29639.805	NA	6233.738	36770.3772	122188.7576	11367.3732	NA	NA	21401.57425	NA	30084.77217	65832.0228	21980.5336	14481.9891	36985.86667	41453.22444	62697.5228	30645.67	17697.9816	112389.7381	15080.55667	30730.524	NA	20096.10778	NA	17034.0345	NA	NA	21978.94111	10747.792	NA	NA	70623.566	1898.528	14883.588	111852.13	NA	25664.17333	62213.79667	35161.88667	10042.5896	NA	NA	NA	25756.00222	11438.08133	15797.5405	NA	28724.2395	NA	53682.552	NA	NA	10615.488	11954.7456	60804.59	10077.32425	NA	20467.837	45489.9804	4942.47	NA	NA	6157.462	12793.837	NA	NA	NA	NA	NA	NA	43519.43125	NA	58055.786	NA	21328.9252	37277.8804	NA	71391.5405	NA	45077.008	69069.837	NA	18189.27	8868.33	113737.13	28848.27	10832.822	NA	26354.77855	45204.55333	6769.738182	7025.75625	20813.60667	NA	14112.53889	17451.476	14831.1828	37734.337	52747.55063	12621.49778	12581.5444	7572.7845	9390.006	196761.0732	35113.9228	8852.7816	7568.522	15717.13	NA	18774.38287	11438.08133	6143.3632	23436.5825	NA	27798.38667	NA	NA	NA	NA	6396.3355	39962.328	18363.33	NA	NA	15141.7845	26462.52	11603.35725	NA	8852.7816	NA	NA	NA	3762.258167	NA	NA	NA	NA	NA	NA	NA	7476.7365	NA	NA	8749.407333	7013.5735	87885.88667	1859.481111	NA	NA	NA	NA	5736.822	NA	NA	NA	NA	NA	75862.2045	2484.482	18889.8424	NA	305891.2395	NA	81621.5336	18782.51333	NA	NA	NA	NA	NA	NA	NA	40222.13	61395.20375	112823.7745	21746.837	15077.88778	NA	NA	19487.13	30841.51288	31984.524	12639.5792	NA	NA	NA	NA	23827.51875	11947.13	32411.35	8641.702	NA	NA	30501.33333	11908.83388	18885.07425	35106.7745	NA	9416.265	12030.95375	42244.94	24425.13625	75332.55333	16523.74933	35245.82538	7611.804	27627.44111	30103.524	NA
C237	Quercetin-3-O-(4''-O-glucosyl)rhamnoside*	610.1534	C27H30O16	Flavonoids	Flavonols	59262-54-3	1	6261055.861	2309470.1	6916062.317	3183008.268	2362097.469	2598839.785	392519.297	916450.8495	10289627.8	12949180.44	1112147.791	1137519.791	4212.309	1678789.124	516850.202	6739272.619	3437189.466	3639249.789	2320568.25	676848.204	155626.206	17601023.67	6570371.591	1410258.324	1838504.448	55735.809	6125766.019	13680.208	2783091.865	2088055.888	1459130.312	3384248.308	679402.8495	17261516.59	173462.5575	23133.8075	23273.46	2582563.566	256208.4	33870.3495	10258810.25	642320.0575	3421374.731	5408388.814	122973.306	426004.26	798985.0995	1287896.6	250811.5995	526080.851	7187963.716	2448441.278	813800.5995	3746415.315	11560.23467	13671801.03	213306.662	152282.568	2690282.115	3075071.793	539794.068	735796.4573	704511.309	100439.2907	3963930.6	108158.4	140706.3	766630.068	226808.4	2439724.096	1013419.235	65617.8495	4209085.918	82916.797	34889.456	87841.0995	1829175	338646.3495	5835886.021	37045.0995	1561029.462	6028983.292	276743.8375	4662706.776	110912.5875	2534157.183	6188543.301	78041.662	3400679.283	2496989.685	14242599.69	1120384.208	597553.2347	57043.8375	59268.3495	3926815.2	88810.45733	15760.90133	2116456.124	1034261.162	11558.4	1921133.418	43035.797	1869934.1	5483899.512	2093181.698	44108.4	68353.809	103567.8405	2190024.352	3148741.888	2402096.166	950336.3075	2937000.621	212764.851	1526095.56	648713.5995	622284.839	421657.809	23293.351	2453511.486	28097.662	107437.8195	66250.809	274014.8987	887258.4	290035.351	131443.809	57165.351	2106.3	117472.0995	1155615.35	586743.309	336529.8495	194724.3495	67734.3495	4212.208	1172428.809	8418.309	2122.790667	492108.309	10551.327	1884540.066	1119634.85	19054.8495	450992.5575	32812.0995	77817.309	223349.851	2280253.605	252246.306	18911.40133	90308.4	35689.297	12622.206	47256.3	5256.3	181984.464	762225.624	71984.351	47580.95733	109329.7427	4209.068	263572.851	122462.2672	345513.2347	2414016.912	86108.4	21008.4	1405766.283	827753.351	14811.12533	246638.797	58876.3075	1687626.235	277252.4013	16846.5225	12628.208	1096460.058	1669788.309	8485713.081	227012.6133	1491008.4	288804.2347	2437276.87	886349.068	461031.568	2117228.404	169155.124	581358.456	1179992.459	44108.4	39123.624	2560500.915	59941.809	371708.4	321589.796	274382.5575	582181.351	92936.448	862656.4573	11049801.16	7441599.584	8341417.124	3195773.195	6442163.7	10692758.77	14534875.85	12723144.61	3950974.839	6233648.339	4211836.667	84021.73467	816269.792	716222.068
C238	Quercetin-3-O-galactoside (Hyperin)	464.0955	C21H20O12	Flavonoids	Flavonols	482-36-0	3	447518.62	116484.7416	897335.9176	386592.1164	178555.3875	343763.7176	98649.916	146420.45	1094113.909	872791.0164	172189.6164	204027.1488	NA	152398.6164	47470.3104	636850.62	370897.7362	314684.8164	142524.7176	182056.62	201906.7176	1787874.908	810354.5775	70084.5332	205205.7176	44900.27657	317429.1555	3257.604	447536.8092	239479.0164	210919.9092	306828.6672	66386.1935	764563.9092	31788.62125	23834.11875	NA	457909.1176	11222.8164	29675.19029	2205067.435	154237.3092	444900.4092	844822.9512	56690.5092	129171.908	24505.916	93699.5176	48122.2092	210484.1176	538143.3332	290319.9176	148728.966	607449.604	1955.604	829266.6027	35593.908	17850.966	218880.3625	814860.9176	332496.7164	262706.5675	62151.3332	91062.27867	521249.9176	NA	7218.366	132397.2693	25740.1176	213783.1176	103625.28	26395.9164	525989.5996	3915.912	15843.1176	29580.1935	186071.5176	56650.60267	735245.28	32405.2175	577945.13	523017.1344	40914.94533	599133.9453	47595.966	386899.6092	753499.5176	13141.5675	397445.2092	348329.5164	1354577.318	327724.8175	62688.9176	21882.978	26093.9135	459400.6092	17895.45	8537.1732	272516.4453	187066.6027	1319.948	322093.2693	13175.268	638034.5176	1143785.28	121843.964	37491.20125	37570.908	13201.94533	903639.2613	476807.0675	302208.9453	163441.4225	965505.9356	35604.7104	331241.612	49032.95	11151.366	84080.62	NA	296258.1176	5378.688	76846.3175	15108.94125	63659.2744	166325.28	38443.4765	78936.5775	15843.1176	5258.586667	87668.2092	297262.0092	104477.5344	52791.94533	91900.8332	10458.614	13869.25275	71605.94375	3293.948	NA	112233.6147	9925.9344	316375.9092	164646.7344	NA	129386.3175	56090.9176	61369.3176	26276.5675	239261.2092	153474.6027	67236.1092	20369.628	NA	NA	9299.984	NA	87354.3175	156051.1344	23023.45125	36258.4092	58993.8648	10532.808	275649.5512	87748.0164	124710.1176	376955.908	138081.575	3944.252	470374.0164	130520.45	2626.9345	9894.98475	7255.7055	150106.912	84630.61125	NA	8576.2092	363557.7176	464831.5344	1420342.016	133947.3176	141714.4092	52290.1416	313365.4164	312047.1332	287006.3175	363831.1092	68772.7344	151102.1176	52076.8092	35051.5344	5871.912	425489.4765	45133.13625	119002.8973	7281.1344	124955.8332	21242.63625	304775.0332	232011.1092	675085.6188	535765.5176	908552.5176	686199.9176	885881.9332	1108179.134	1064679.937	1101531.11	486423.7092	669041.1332	372263.5344	212864.908	258375.1092	52033.353
C239	Quercetin-3-O-glucoside (Isoquercitrin)*	464.0955	C21H20O12	Flavonoids	Flavonols	482-35-9	1	356895.662	104104.164	833444.662	263250.662	165130.234	354601.734	102048.208	116439.234	961888.164	987438.662	130199.734	98444.734	14571.162	123907.236	68019.183	516796.236	303976.164	677386.1826	88960.236	151917.162	167751.33	1131969.154	572652.734	93649.162	177273.7565	31219.162	371713.236	NA	281074.164	210185.162	213306.662	154574.706	48718.236	584441.4345	43705.162	26537.082	NA	314235.162	34703.706	NA	1495921.164	92653.164	647696.8229	719167.2355	89637.9315	92093.734	59477.92933	146146.236	53987.734	172521.7355	334222.204	270049.236	156970.737	422650.164	NA	928130.162	NA	NA	94600.737	625514.276	299845.8	273097.234	74920.162	148360.6488	417257.4315	NA	NA	116596.164	NA	124864.162	100932.662	NA	217144.136	62754.63933	NA	103951.8238	156079.162	51895.236	561505.206	NA	256584.258	338589.309	94663.8105	405601.236	80955.62125	293425.162	499282.152	31444.192	328802.162	275736.662	685177.236	271574.662	66628.164	NA	NA	256090.164	36948.833	NA	256432.0815	164079.3105	46270.206	319164.258	NA	448381.33	519973.236	167524.662	33886.979	NA	36211.638	693649.236	278653.809	284962.809	89530.164	628935.258	NA	220590.162	73040.734	NA	81163.162	NA	309777.258	NA	70708.0815	NA	45218.706	113418.662	45519.734	119339.968	NA	NA	55046.234	147135.734	61821.1815	58221.734	97546.8512	39125.024	79909.7175	76263.183	43287.183	NA	123823.662	40841.976	204738.4855	255479.2491	NA	107178.183	73041.68	57700.1815	21174.234	153486.734	119278.7775	89245.5976	NA	NA	NA	23475.582	27239.19	72016.236	137156.33	105601.6918	NA	74167.856	54090.4	194681.574	85548.012	120296.276	241516.164	182086.483	17879.706	393360.8105	150382.236	NA	NA	NA	123823.662	64515.162	NA	NA	207163.164	381010.164	1034158.734	156462.6	115499.662	77262.132	242557.164	217468.662	260460.276	244633.236	57178.737	129912.4855	77057.833	62766.276	NA	206411.734	NA	110269.683	NA	92345.8	37445.4115	319439.0676	214900.6787	484877.162	421941.7355	743890.0275	428899.236	533780.662	702802.8315	701789.734	649923.234	334004.662	452197.236	298642.236	155658.3013	208846.8285	68677.162
C240	Quercetin-3-O-glucoside-7-O-rhamnoside*	610.1534	C27H30O16	Flavonoids	Flavonols	-	1	5593464.765	1546395.057	6346190.205	3709442.807	2005769.792	2581313.142	316316.162	966188.5995	11023360.29	10600146.26	1193549.624	1121662.291	9459.901333	1943325.554	576091.3075	5381621.466	2086749.252	2949236.34	2327458.595	752520.204	131097.124	18579786.63	6650631.387	1466946.66	1563944.448	39963.309	5316039.387	20067.166	2533851.002	1789774.15	1508574.312	3091440.268	729529.26	21026688.31	267023.8075	30492.5575	8420.208	2705409.962	301358.4	39123.624	9530236.848	577142.5575	2117006.351	4884571.38	157656.306	327020.706	829674.3495	1337634.35	263510.5995	558064.26	4691346.23	2696449.472	814858.8495	3430064.755	6307.202	13545737.04	227747.797	94618.8075	3168174.825	3904498.5	510389.4013	871113.7907	613305.7347	130039.9573	3195891.3	140708.4	112376.2347	507880.809	252008.4	2936763.779	1114235.235	78866.706	3944333.25	72839.162	21034.206	98423.5995	2042143.533	280442.5995	5752063.917	40180.79067	1425053.686	7103691.075	338338.216	4652744.581	164781.3375	2448224.145	5680676.282	60353.162	4584681.58	2404625.426	14473351.68	799185.2347	784482.9013	60110.718	67656.456	5492999.666	123850.851	19961.568	2559167.923	955183.162	8408.4	1240280.162	29138.162	1940966.457	7345383.483	1766388.735	57758.4	75714.309	78205.8405	1805649.124	2533331.328	1709423.339	1075379.068	2543328.914	196672.4587	1691313.404	539713.8495	626216.448	334383.309	28551.95733	2888363.489	25200.2985	114182.4573	34720.208	346918.8075	1483759.032	281567.351	138907.5225	38112.351	2101.7865	168244.206	1119634.85	712512.432	358331.456	136324.26	70909.0995	8699.357333	1387986.309	13675.809	9522.957333	588846.309	13672.5575	1646501.544	789711.9573	27520.8495	462556.3075	33870.3495	80971.809	194770.351	2351804.004	255399.306	15785.118	122858.4	35753.744	5297.5995	26316.71	2109.309	193622.464	687166.7907	57095.45733	39160.632	106176.2427	5256.702	258280.351	64574.851	384369.4013	2428402.217	142808.4	18928.8075	1475936.839	801290.851	3160.208	291181.576	39980.208	1419833.735	374251.3075	22107.7725	12645.3195	951387.5575	2549390.901	8236516.589	140434.28	1592858.4	377018.2347	2158476.96	832790.568	466282.4013	3385518.35	192412.7907	672260.456	1186336.459	57758.4	30695.5995	2584324.261	59941.809	308708.4	442182.796	283508.4	531763.2907	73928.448	740025.124	14905020.91	6143013.408	7862208.9	3491689.572	8113620.9	12210858.56	14208405.15	10313257.08	5408007.578	6299097.168	2983399.224	158782.809	658443.821	637459.568
C241	Quercetin-3-O-neohesperidoside*	610.1534	C27H30O16	Flavonoids	Flavonols	117611-67-3	1	4349710.712	1946429.336	6676181.785	3459515.742	3033732.978	2831324.491	392519.297	1045557.35	11930091.88	8993522.61	781268.706	1365471.351	6331.430667	1846534.197	550861.3075	6192834.696	2892838.431	2619629.49	3332199.48	783373.809	148011.7907	13896515.2	6148608.17	1116724.23	1128872.448	52581.309	6572933.578	37050.13333	2312517.9	1736114.145	1821321.288	3482369.267	733373.5995	19070106.01	158745.0575	19980.0575	11576.208	2557496.087	293235.306	45466.624	9007154.153	664396.3075	3846218.525	5990733.174	219665.306	474102.3495	851897.5995	1357741.1	281500.8495	737780.851	5115745.788	3234382.388	882586.8495	4130537.86	NA	11849443.64	206757.797	146130.0575	3328799.178	2949640.923	453095.0575	922914.9573	853793.9013	126868.4573	2448491.605	128108.4	82971.568	620656.9013	242558.4	2419678.515	844342.4013	76124.45733	3670646.2	71372.297	36806.706	110064.3495	2194995.283	311131.8495	5528524.615	60266.95733	1434733.339	6376777.996	257180.216	4743649.872	134916.216	3022692.372	7512484.848	79082.162	4835036.644	2794487.43	13950462.25	841206.309	554496.4013	46465.11333	66599.456	5534409.838	116296.7907	17861.23467	2364970.635	946655.297	18908.4	1420288.743	37850.40933	1835249.791	6712501.813	1811191.926	44188.208	48327.202	83489.5905	1639673.957	2977559.306	2361774.055	1029180.057	2695785.668	202179.851	1248002.404	568286.5995	545960.448	378068.4013	10580.124	2484898.611	21154.6852	104152.208	53566.90133	302360.3987	980589.306	337667.851	92538.309	51552.208	5248.5664	278306.2987	1245566.6	485799.309	344590.456	215134.26	106889.5995	NA	1156656.309	5259.234667	7368.208	539425.809	14732.2168	1802468.545	1148207.6	28579.0995	355073.202	53923.95733	70456.809	156664.351	2065419.39	202658.4	23137.206	91358.4	38920.08	10538.8195	30468.06933	5256.3	181984.464	645538.8495	51872.851	60326.5995	156381.797	NA	208303.1253	95168.45867	284603.568	2100168.327	188180.0575	28349.5485	1258297.839	796054.9573	2123.351	267004.7427	34658.4	1987973.901	358115.2347	26293.809	9472.208	1011479.403	1877706.401	8324037.303	160556.3375	2075716.592	345949.809	2664552.915	910502.9013	503038.2347	2086113.293	171269.4573	806499.456	830015.1253	34697.5575	33837.79067	3166667.746	96834.21	338508.8075	412563.4627	201608.4	546563.624	75017.839	721903.351	10506986.81	6297646.166	6786605.468	3409473.998	6738144.562	10486657.78	13774101.26	10260548.86	4315481.388	5693044.275	4171665.575	101874.568	1082717.792	670014.7347
C242	Quercetin-3-O-robinobioside	610.1534	C27H30O16	Flavonoids	Flavonols	52525-35-6	1	4173530.136	1062406.64	5323548.101	2803033.213	4373471.718	2288546.28	456269.8837	910611.9444	9115628.289	7450665.537	934134.7325	1676017.778	NA	1288229.503	466743.1147	5055865.136	3048259.76	2127852.244	1697220.103	524317.965	121190.3032	16039767.61	5694855.685	981083.264	1279168.128	36853.264	4150741.702	13094.04375	1844815.78	1673157.328	1053857.731	2945884.971	532366.2288	15584858.01	157885.2627	17766.76267	NA	1810071.498	259926.9887	21991.71625	10384579.56	370011.4864	3119911.862	4793256.553	142000.21	339931.8444	592775.7948	1118605.264	215225.4825	460598.5425	3661044.597	2039194.15	497985.096	2830221.683	NA	11002737.49	177354.1213	78212.58667	1964698.731	1934726.431	298917.882	552963.7325	553243.096	81576.596	2273672.94	82210.2288	81037.7325	365426.1444	154596.096	2013470.176	730858.096	50761.10667	6564173.438	83994.624	23035.264	74359.264	2475454.965	243100.2325	4860280.974	35528.26267	1118696.261	5216256.836	230517.9032	3820058.423	88029.8835	2021703.758	4187125.304	40764.882	2398924.602	2141372.488	15055411.8	847348.752	473765.264	49175.882	57945.51	3411207.919	NA	13249.12125	1566595.876	898864.8837	13823.264	1147374.948	NA	1364378.419	4496608.284	1110255.882	44749.264	74555.2325	84437.045	1259791.339	2597151.393	3614949.456	817484.928	2536005.389	168965.28	1590430.744	393192.1032	458967.4825	257218.096	NA	2484031.434	9907.781333	89482.23375	38823.882	206512.5947	897980.545	222481.448	66670.6335	44896.61467	1340.5095	189943.7325	2148860.588	822286.894	323267.7938	173482.2852	40577.79375	6638.9572	734654.2432	NA	7243.264	603527.2325	7204.66875	2588962.745	990295.264	13053.8276	446002.4825	35563.965	83766.54375	157026.5425	1840335.076	197197.8876	17505.85625	77148.2325	30265.596	5969.5488	16893.67543	9265.86375	163625.7852	626881.2852	36676.6576	35840.318	137435.4825	2532.315	231382.2432	52639.8948	320356.4936	1851487.52	143927.71	17110.6936	1037516.195	618337.7587	3921.572571	200187.584	36816.6876	1422064.133	284105.4192	19578.93875	NA	931926.9032	1874364.995	7373315.565	181347.2276	1466686.243	295099.7813	2142770.611	595487.7938	411185.1444	1874422.3	130291.896	612371.1067	805132.9825	25002.92933	34542.6192	2023410.963	47465.27333	238226.7587	259191.596	233320.0538	481003.264	43200.52875	566037.8587	7680236.239	4899089.192	5902579.206	2715157.247	6451460.822	9315392.944	10738663.32	9273710.16	3233798.058	3981141.74	3487085.138	114997.3088	823630.2192	491933.3563
C243	Quercetin-3-O-rutinoside (Rutin)*	610.1534	C27H30O16	Flavonoids	Flavonols	153-18-4	1	4351456.098	1847702.23	6761646.307	3306002.379	2140285.853	2748396.528	489039.162	942907.0995	11551646.51	9610817.253	1020174.291	1088144.351	5263.809	1787812.851	745859.202	6211269.532	3853196.514	2994820.47	1482256.352	773910.309	164926.4573	16815335.23	5783135.183	1208944.324	2009576.448	85177.809	6052310.353	19034.456	3148649.335	1474089.752	1109866.312	4076729.319	611674.8495	17639630.19	221820.0575	27338.8075	17985.96	2329780.048	372060.306	49707.19875	9040281.143	529836.3075	3140232.897	5689113.599	181829.306	411665.5995	869887.8495	1419119.6	317481.3495	729312.851	5424324.281	2489399.152	850839.3495	5714616.025	8418.309	14001394.1	167926.297	138630.4013	3130845.075	3143209.743	1012028.208	827769.9573	857994.568	114182.4573	4037449.773	91358.4	103974.9013	705720.4013	279308.4	3056999.461	948308.9013	66609.95733	4048775.25	66596.162	34903.94875	89957.5995	2067377.738	312190.0995	5372810.3	40180.79067	1686907.211	6222387.762	238718.8375	5021633.379	151050.0875	2941640.753	6518331.849	64025.797	3042818.082	2645620.266	16636428.86	817038.068	655312.4013	66525.94667	102171.5695	5901350.674	80353.124	18911.40133	2875833.741	1083164.662	14708.4	1543421.913	52481.297	1045754.449	5805517.051	2113993.901	49358.4	43074.702	52729.218	2077340.957	3057365.203	2191979.714	853793.9013	2785490.544	229700.851	1699717.404	555587.5995	516392.448	311250.309	11637.29067	3000518.401	21001.2985	155411.9573	41014.809	321688.8075	1007915.306	306971.351	67219.068	43352.29067	NA	174617.5995	1426527.35	475362.432	358331.456	191549.5995	75142.0995	6357.351	1344874.809	4212.309	7408.624	698202.309	15775.0575	1762553.472	1117518.35	27520.8495	463607.5575	30674.44875	82023.309	184185.351	2447486.736	395858.4	19961.568	82958.4	31491.297	6351.457333	26266.736	5273.1252	206318.464	823541.2907	76218.351	34928.5995	159785.7427	3159.37125	248753.851	75079.12533	402222.2347	2269262.1	219904.6463	16826.3075	1096309.449	719786.351	5298.851	261748.9093	43107.5575	2558093.406	365466.4013	47323.809	16928.57375	1142771.069	1692921.309	8206232.992	239775.0875	1804958.4	322409.568	2482522.67	890549.7347	558697.068	3035239.674	206155.9573	901629.456	1044653.792	30492.5575	55000.575	2303496.394	61968.23467	302408.4	348035.6293	189231.3075	572992.7907	79208.448	918686.2907	10771103.73	6682979.728	6343861.502	4467013.068	8444230.2	13782947.85	14868286.89	11887289.44	5007360.593	5601852.976	4666211.935	132329.4013	1040424.459	495687.068
C244	Quercetin-4'-O-glucoside (Spiraeoside)*	464.0955	C21H20O12	Flavonoids	Flavonols	20229-56-5	3	299438.288	62217.1416	556879.1176	243017.0229	117518.2668	314097.7175	63930.908	66106.61	660426.1092	577905.1164	74554.0164	163062.63	2625.933	92365.9164	52901.90025	333654.62	210919.9092	178050.9938	72687.51738	104256.3176	81163.3176	1276490.908	366856.7176	37690.6332	113493.5176	19712.628	312619.5675	3282.744	218679.9669	123138.62	123259.6092	135782.5092	21781.3176	596098.6027	15120.6935	5919.1935	5871.912	199267.5176	9243.7164	18480.612	1323566.718	67895.2092	225927.936	523085.3712	34922.39657	89631.908	18597.1668	68627.1176	46396.4765	91722.112	284549.2693	166937.3176	65328.1176	278032.9373	NA	483466.6027	29003.908	8555.70125	113954.6027	438774.9176	164932.9164	224013.4765	120615.933	52132.1176	356975.112	4657.66	NA	66530.60267	13881.49817	121012.7175	74493.68914	19034.08267	235679.2996	NA	NA	14551.4675	101617.1176	25694.82286	487745.28	14444.2744	127558.945	265447.936	21119.94533	300831.1164	23153.46388	243681.9657	470466.4453	NA	258375.1092	211811.7787	652550.1176	133805.2092	53401.11771	17803.6092	19780.9092	248488.6092	16574.88686	NA	178153.9176	128264.8612	NA	208409.914	13913.916	261948.5176	711692.0775	165753.978	11186.20125	31639.908	16530.6435	563769.5032	542087.936	160344.7787	84462.3176	449691.9356	17607.912	118112.1176	34457.95	17791.96571	63757.1935	NA	178160.2787	NA	44793.39429	NA	26969.20125	114813.1176	20215.912	46200.9188	7899.5775	NA	47427.68	139078.0092	52442.8875	36956.7176	48268.2332	11246.6332	NA	32193.44375	NA	NA	76192.23638	NA	146328.1092	162240.957	NA	88327.3092	22441.1176	40260.43912	20495.1435	105463.9092	126278.0332	35471.0675	NA	NA	NA	NA	NA	48866.42057	92931.6375	13897.6442	22875.114	38888.908	NA	132527.9512	35747.86875	74676.55	209514.2707	153561.2385	NA	282359.5164	50913.23625	NA	NA	NA	93533.2596	45451.96571	NA	1952.6	221040.9176	335236.3344	1026002.475	73905.5176	65209.10857	52084.7104	150419.5164	173789.1435	171748.866	201033.4092	47132.8875	74225.92725	21639.366	23832.66038	5274.602667	151715.8175	26563.9668	100989.4345	NA	64795.7332	28393.63257	209576.6332	103415.936	348284.3712	262158.62	533786.1176	333206.9176	411873.2332	474088.3344	594606.3104	419918.3104	270238.9092	428400.7332	269116.3344	174642.908	207485.2693	37576.6092
C245	Quercetin-5-O-¦Â-D-glucoside*	464.0955	C21H20O12	Flavonoids	Flavonols	-	1	258048.162	107227.164	460945.662	196658.662	135492.234	190534.234	55760.208	86801.234	598579.164	704422.662	104451.33	78333.234	17063.514	102727.236	51531.183	337825.236	244639.164	241112.2355	67780.236	94689.662	84124.206	1296052.154	408585.234	68677.162	135392.634	NA	437371.236	NA	195712.164	191679.183	132147.662	79918.206	37069.236	427767.4345	42084.208	NA	48524.8285	268453.162	26291.706	NA	1188172.683	97307.5275	147135.734	518591.9855	99366.37543	89360.234	40718.958	86842.236	37410.234	264958.8217	260518.236	170503.236	68839.236	288361.164	NA	408920.662	NA	NA	103786.236	503606.162	254184.276	163013.234	64515.162	104325.012	236963.6815	NA	NA	55707.204	30178.662	92608.662	67636.662	24349.734	187079.276	30253.258	NA	NA	109256.662	48547.8315	365926.206	NA	134660.208	329256.276	25262.886	290170.236	NA	360017.162	344620.152	NA	284060.662	204982.662	535858.236	170646.162	60688.7775	NA	23291.234	270664.164	53908.73125	NA	177792.208	129292.774	NA	200262.258	NA	291229.236	530563.236	94689.662	NA	36616.276	NA	400306.236	231336.309	146457.276	71833.164	602860.258	17998.734	201984.183	38110.234	NA	72839.162	NA	178929.21	25156.192	59088.44	NA	48439.683	100932.662	28583.734	89228.755	85786.6326	NA	51131.68	142383.4855	60353.162	NA	131938.4967	NA	NA	54622.683	46565.386	55371.42514	42664.662	84233.79333	128873.2355	114323.7355	NA	78324.183	39168.734	46695.8	25408.234	111146.734	124924.164	35755.206	34149.7	19715.913	47557.291	NA	15611.662	92865.01333	96327.734	NA	92609.5866	55285.258	49670.483	129771.33	83461.67867	48907.662	199876.164	103560.276	NA	242960.5605	78370.236	NA	NA	NA	109360.206	NA	NA	NA	133252.164	213409.164	618168.234	81008.208	82203.662	29138.162	83284.164	151917.162	170504.276	218494.833	45744.237	65631.234	47823.237	52029.162	NA	141843.234	NA	82203.662	34819.22	42685.164	31759.234	254229.404	110088.234	334004.662	304996.236	538201.164	279564.4855	448459.662	383362.236	513376.734	454100.734	241400.162	288052.236	331471.236	141216.276	125965.734	50988.662
C246	Quercetin-7-O-glucoside*	464.0955	C21H20O12	Flavonoids	Flavonols	491-50-9	3	134849.288	52696.25143	404465.3176	158995.6164	101482.3971	192669.5176	63930.908	44954.61	583970.5092	578564.8164	60700.3164	103304.88	NA	58070.612	35712.65025	317104.62	217510.9092	185383.6164	65544.62	99637.7176	74493.68914	1198069.908	407153.8275	39673.9332	136586.5176	11951.88625	270898.0092	NA	175328.5092	112816.6164	100850.2092	115273.0383	15843.1176	340103.5092	21781.3176	13201.9164	NA	247442.7787	8452.6	21708.20125	1177750.918	58667.8092	232011.1092	456210.7462	65665.7295	78386.60267	18597.1668	42235.1176	33592.16437	75884.9176	253591.936	129988.5176	57149.658	234023.9104	5962.588875	623762.6027	17133.39429	9274.62	72458.60267	427558.3176	143848.9453	115991.908	37176.6375	43317.0744	257989.7176	NA	NA	41745.45	NA	87103.27867	59405.28	13861.6164	193310.26	NA	NA	9200.628	83804.112	46804.0092	343865.28	11224.5176	155720.7176	191018.6027	25076.5164	253992.4164	16412.8744	187851.4092	325289.3176	10082.688	259693.3092	191980.6164	579312.3176	81314.688	50357.95	12523.39429	23811.6125	214215.4092	7196.616	NA	122070.9176	88266.60267	NA	170158.914	9882.768	284100.5762	518105.28	108990.426	12501.45125	20429.104	15869.8935	436659.7032	140301.2693	151761.9176	53451.7176	374965.0356	21823.73625	124710.1176	30403.51737	14499.10857	38402.62	NA	144508.7787	NA	33622.0092	16476.104	32230.20125	76544.7176	23200.2265	34325.28	11213.79838	1310.616	46804.0092	137100.7092	41002.3344	34977.3176	33724.0332	NA	NA	17742.19375	NA	NA	54127.92	NA	160828.3092	74723.5344	NA	57349.6092	21125.28	35604.26057	NA	120623.2092	86612.0332	34253.853	NA	NA	NA	NA	NA	69165.26933	106533.5342	NA	12462.366	30811.6648	NA	127889.7512	48166.0164	47513.5176	172006.908	64961.7732	4592.433	185366.62	104129.908	NA	11830.31875	7873.866	82257.1596	33500.8175	NA	10495.866	160339.3176	250602.7344	804184.7438	76544.7176	59326.9092	50726.03829	172189.6164	158010.8332	140551.0675	328211.1404	31745.5344	85963.08267	28985.853	25897.76375	3962.5092	123259.6092	13251.916	67741.95125	NA	43640.5332	25232.3656	203312.5611	103486.6092	522648.7188	343554.474	512012.7176	370155.7176	484594.2332	429787.9344	435079.9104	412667.1104	267602.5092	342457.7332	196384.3344	106040.5371	111979.824	30165.4672
C247	Quercetin-7-O-rutinoside*	610.1534	C27H30O16	Flavonoids	Flavonols	147714-62-3	1	4873092.63	1275172.557	5978931	3700228.645	2182519.976	2433952.875	443944.797	874120.8495	10861324.14	7890847.158	1064575.291	1227378.957	11572.809	2975603.04	689626.3075	6164242.494	4106652.177	2773877.7	1944316.027	569919.309	233879.5995	20372561.57	6542334.315	1456065.164	1520648.448	57891.71	6055742.01	20050.7975	2816323.98	1848883.835	1628502.312	3790472.992	720674.5995	15634852.29	227076.3075	29441.3075	11640.96	2357325.919	323408.4	32812.0995	9890284.048	633910.0575	3476027.203	10637757.76	260654.306	681519.3495	631781.5995	1417003.1	250517.456	560194.26	4434837.424	2509635.642	761946.3495	5015946.6	6315.309	13712078.93	289668.297	116695.0575	2822484.42	2828962.07	480984.7347	868999.4573	691018.068	124754.124	3292178.6	132308.4	140730.7347	814937.7347	253058.4	2692927.681	933606.568	82467.45733	4299545.9	85015.797	34889.456	83608.0995	2147569.19	187126.9573	4162999.175	46569.3495	1716871.664	6983276.462	296178.216	4918465.136	120418.8375	2868702.477	6312775.156	72839.162	3583947.89	2589169.114	13976612.32	760329.068	659513.068	78037.218	72941.456	4939704.656	103739.351	32563.568	1657645.791	1368327.605	21008.4	2968002.862	26243.797	1964224.124	6007410.621	2105592.568	72458.4	80971.809	85603.0905	2188637.35	2852941.314	4233494.811	1029180.057	2729689.32	213589.792	1906160.147	567228.3495	557576.448	365466.4013	25284.3195	3150311.437	32548.5485	106782.2907	55667.23467	285563.0653	1108808.4	286859.851	98847.309	61399.351	6292.7865	150277.8495	1273081.1	333072.432	351345.3495	164035.0995	58210.0995	6316.208	1349080.809	9476.118	5264.208	764446.809	19980.0575	1876283.599	1101644.6	19054.8495	435223.8075	24346.0995	71508.309	204296.851	1696760.957	317108.4	17888.118	78737.5485	39887.297	9530.5995	20005.64875	2108.734667	172462.464	849970.4573	75067.29067	32812.0995	128250.7427	11572.809	250870.851	59282.351	371767.4013	1598957.557	119848.8075	14723.8075	2446446.191	726137.351	7409.792	252935.797	44158.8075	1851452.235	372817.568	36764.23467	10580.124	1141720.736	2049933.735	5974600.122	219706.3375	1981358.4	336061.7347	2523530.1	1051225.235	543994.7347	2006510.791	158583.4573	735680.456	1101749.792	47258.4	45511.0995	2876148.777	55667.23467	255158.4	434777.9627	260408.4	621622.4573	56000.839	710424.4573	7101359.928	5784109.276	7694883	3246262.628	8231787.9	12273459.74	13696442.24	12678868.35	3868759.391	6196459	3984000.02	150182.2347	1112323.125	551345.9013
C248	Rhamnetin-3-O-Rutinoside*	624.1685	C28H32O16	Flavonoids	Flavonols	-	1	60594.2095	26823.7095	97127.91	51825.972	44330.91	72314.424	37661.964	21851.958	98453.938	89182.008	46577.09333	52155.936	NA	33690.592	13907.958	63963.936	56621.2095	51106.008	38732.958	9848.938	36656.424	221149.6	64550.958	9938.4595	41648.949	1992.4595	53503.92533	NA	55627.9595	41722.4595	79727.972	100147.449	1991.958	110514.56	9974.64	NA	3971.26	46735.7155	NA	4007.1856	119195.9595	11924.9595	42704.958	80164.008	18754.56	9935.958	11828.9115	25765.25867	15755.938	2961.6615	144651.936	42337.438	22797.09333	48828.304	NA	115601.972	5953.4475	2984.958	34687.09333	106651.3067	48844.64	41615.92533	22658.94	19865.958	60794.472	993.6765	1001.473	12802.438	4975.964	41722.4595	21857.4595	NA	22685.888	NA	3945.91	2985.7095	51654.9595	991.413	95139.964	NA	24793.449	95189.949	2980.449	108981.2587	4963.449	28969.32267	84703.54533	888.5495	83417.958	42715.7095	112243.2095	22927.472	3941.938	3971.949	6812.158	140561.4747	1738.7005	999.964	61439.59333	13884.966	NA	50570.466	NA	51641.958	73317.25867	47847.97333	NA	3941.938	3951.888	119858.424	47379.948	27779.968	13911.4595	50570.466	5915.91	24616.438	8859.936	988.6465	3941.938	NA	27774.9505	NA	990.91	993.6765	5969.964	19937.972	11817.938	8889.394667	NA	NA	5963.958	15026.506	NA	4923.936	9935.958	990.91	NA	3978.9595	NA	NA	17845.65875	NA	20811.92533	7827.6745	NA	5963.958	1989.258667	18944.64	990.91	20858.958	11924.9595	998.958	NA	NA	1002.2275	NA	3994.64	18872.958	10928.958	991.1615	1992.4595	1974.3225	NA	9935.958	3941.938	14778.94	36884.64	8945.2095	1992.4595	23663.88533	15893.958	948.155	1928.769	4973.461	11924.9595	16951.30667	NA	1975.91	19941.30667	45923.652	75311.26	8927.466	14904.7095	12914.958	28554.438	20667.936	16951.30667	34681.25867	NA	7885.91	50213.438	7951.9595	NA	22793.25867	2987.964	14904.7095	7934.593333	NA	9848.938	29279.7072	12914.958	213330.308	78472.7095	61801.30667	52504.424	93512.4685	145635.9253	183312.0933	163850.958	55613.958	97093.25867	77459.958	15893.958	20811.92533	20864.2095
C249	Sexangularetin-3-O-glucoside-7-O-rhamnoside	624.169	C28H32O16	Flavonoids	Flavonols	-	1	58120.008	23843.9595	102310.7095	53287.89333	42315.936	92354.958	36670.964	14807.365	84410.958	101317.4595	45695.4595	21651.936	NA	35753.958	6914.56	51171.936	40084.008	54112.008	65543.958	16895.461	44690.958	150555.936	70508.958	19744.56133	47595.966	8895.6765	53627.958	NA	41722.4595	29803.4595	71501.958	81832.05333	2969.1765	122248.008	3954.56	1997.4745	1981.4265	94364.7095	NA	4961.258667	105290.4595	8945.2095	44690.958	70508.958	24674.56	6956.958	17879.958	27634.56	15791.892	7934.593333	79914.392	37659.59333	20864.2095	42704.958	2001.306667	114605.472	7935.9475	999.964	27569.938	128577.9733	48568.91	31781.958	13961.30667	14900.958	73487.958	NA	NA	6895.438	8864.438	37749.4595	16891.2095	NA	30573.888	NA	7949.958	999.2095	27569.938	4973.461	49568.4475	NA	59495.949	69004.552	5952.966	114229.7095	4889.206	11991.98933	101445.712	NA	72494.958	55261.22667	148993.4595	5927.893333	961.9875	1979.218667	4926.438	143551.9747	877.4835	NA	62430.42667	17752.88667	NA	32534.88533	NA	36746.958	105551.9888	37758.961	NA	6983.472	4961.466	124810.924	40575.437	25613.54533	16740.438	67410.9475	1980.892	35762.9595	NA	995.466	2001.306667	NA	43384.55333	NA	3939.936	999.2095	6956.958	17944.972	1991.958	3908.7475	1981.226667	NA	4940.392	11921.958	NA	5963.958	4940.392	NA	NA	11847.89333	NA	NA	20864.2095	NA	15034.008	13837.928	NA	22037.006	8859.936	13737.3648	NA	21802.592	17029.506	2984.958	999.2095	2954.1465	1998.4775	NA	NA	12795.936	8923.925333	1017.3175	993.928	9913.964	NA	15893.958	1991.958	6963.964	31581.22667	16891.2095	3993.972	18839.6975	17724.938	NA	928.2865	999.964	11849.89467	23691.89467	NA	NA	4926.438	28875.473	53512.92667	6946.449	27569.938	5969.964	47681.9595	12960.304	15954.64	29727.92533	NA	15893.958	41583.4776	3943.94	3977.958	29803.4595	1972.938	11967.97333	9938.4595	NA	12886.592	19724.55333	29727.92533	172460.1413	81901.22667	60058.438	75285.924	89737.976	163467.9253	231374.958	100149.432	53627.958	81431.958	58592.958	15755.938	14867.92533	21857.4595
C250	7-Methoxycoumarin	176.0474	C10H8O3	Lignans and Coumarins	Coumarins	531-59-9	3	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	29602.6175	35843.08	26047.50162	56169.90867	14311.008	19291.68958	20375.48891	28484.0015	46483.69333	30695.292	19451.507	39059.822	26392.09067	49006.27709	41626.349	32971.16233	30240.89667	NA	NA	NA	37384.39923	34956.75933	44033.76425	29987.69217	37163.15633	27169.053	20559.29867	20598.732	33230.481	36447.12367	31074.51767	24429.2685	21547.21342	23954.91467	39702.894	22152.1505	61816.84542	25192.42815	60874.37708	61546.39425	NA	NA	39460.03833	40256.60842	NA	22247.385	28844.29725	39114.08077	21676.63283	16367.64217	21845.5295	47050.17075	28262.395	38663.60625	NA	29407.11225	NA	NA	NA	42721.35538	NA	43607.1405	27929.06167	31440.20783	NA	43076.8625	31646.94554	38715.78083	35761.06508	28742.13646	NA	NA	NA	NA	23882.28992	30409.5875	NA	NA	41128.89317	NA	65654.07585	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	13452.78258	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	52349.11154	NA	NA	NA	NA	42744.258	NA	44594.31115	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
C251	Ditartaroyl-hydroxycoumarin	426.0434	C17H14O13	Lignans and Coumarins	Coumarins	-	3	31721.74133	27288.576	25741.5165	41733.852	33400.8535	48153.852	12002.289	23767.1035	18629.1035	27620.6035	34029.852	30265.31733	14247.59	27393.548	16060.1035	25683.852	19905.852	39993.86217	34308.1335	14247.59	12206.6035	34029.852	24409.3535	43141.984	25153.65867	28482.8835	29535.852	15201.9972	32840.65067	13491.1035	23598.50125	14769.852	22473.852	31071.8835	18621.852	20602.48267	31721.74133	32758.6035	25693.8535	25693.8535	32188.48267	22482.6035	22318.875	21895.484	29535.852	16190.09	15417.8535	23115.852	14769.852	34763.14933	31087.408	25378.408	31665.628	35969.8535	16695.852	24103.40667	15159.789	26654.076	19131.375	44583.9615	42089.62625	49470.07333	26369.2665	26597.7972	50741.6035	18621.852	30775.768	23124.8535	25378.408	35955.852	20547.852	25051.6035	25462.546	14775.6035	26143.875	15411.852	24399.852	7087.317333	27537.1525	17986.8535	26428.95257	11370.789	15791.289	24744.07467	19588.0405	17986.8535	22841.07467	24835.09333	38065.07467	23469.24	32743.50222	29519.768	21975.0165	41216.34	49483.07467	27007.768	25482.548	31730.076	35894.92125	28048.8476	32659.768	22834.84125	15791.289	24399.852	22482.6035	21189.852	10831.548	19271.3535	20211.789	31474.1035	28859.35162	16422.789	22318.875	17054.289	27197.59	15417.8535	21370.09	56750.492	35713.37625	20938.07467	26297.66525	33147.2476	32990.408	24399.852	23757.852	19905.852	40815.97088	28326.48267	19905.852	18473.26133	15411.852	17337.852	21412.173	19905.852	27322.40457	24065.2024	24399.852	28262.8535	30452.97087	20547.852	18629.1035	26530.882	11654.3835	17351.355	19748.77288	25236.882	16053.852	19905.852	29765.882	18126.8835	23115.852	24399.852	30189.6035	27896.83875	25683.852	17859.87625	43356.375	22473.852	26325.852	22473.852	21189.852	21651.76	20016.955	23911.31438	25051.6035	24657.04912	23183.15067	19131.375	28262.8535	21168.66525	19913.6035	16702.3535	28812.02625	19271.3535	43356.375	33733.673	25271.47088	48814.8535	12206.6035	28893.852	26325.852	23369.289	17838.548	17344.6035	11564.3535	27899.86162	24399.852	26967.852	26325.852	32308.50188	32646.7665	30177.852	NA	16695.852	22432.1884	12843.852	25732.86	13819.768	16497.74133	20843.289	27018.86	40020.12778	17979.852	39306.49067	19263.852	19035.07467	15697.5165	22323.25125	25378.408	17132.07467	16053.852	19905.852	40465.6035	31474.1035	21355.768
C252	Methylillicinone F	278.1518	C16H22O4	Lignans and Coumarins	Coumarins	-	1	1507453.331	1496659.164	1487014.93	1360732.918	1503383.532	1467195.428	1340403.005	1479924.759	1438061.005	1319868.837	1287721.797	1515327.867	1336332.635	1401367.933	1367104.347	1636218.003	1487366.556	1268354.69	1261929.219	1414896.346	1218843.42	1711340.057	1498903.083	1539242.86	1486903.215	1460319.936	1282176.932	1274738.373	1400853.306	1524053.349	1347302.651	1304589.542	1360334.888	1566386.279	1098715.006	1456242.779	1367788.375	1473983.309	1245350.696	1369918.298	1524726.72	1174913.277	1463315.355	1397253.447	1375853.344	1389219.89	1198772.626	1376631.968	1381218.238	1396667.181	1342853.277	1258769.661	1432192.796	1435887.343	1322421.114	1330994.878	1236593.876	1419451.786	1297919.013	1376534.473	1197879.139	1347059.586	1201383.636	1274298.726	1350405.326	1478071.34	1332516.876	1250060.262	1258480.141	1173336.398	1080642.81	1178094.146	1391940.489	1238946	1226926.404	1097253.943	1062583.075	980662.9135	979348.6814	919271.6114	895486.9376	986750.5033	1006317.159	1062731.313	986423.4	1032649.93	1014976.142	1044410.796	1114598.325	1057963.667	1039510.554	1037292.792	1328434.027	1612450.899	1545085.567	1064218.415	991371.5807	936889.8314	1097174.842	958654.725	954543.4909	957073.3575	994100.7487	1007908.328	948256.1311	1036939.385	952527.6325	1001477.162	1001202.754	1020184.842	952548.498	1023567.383	923807.0685	982251.7693	943274.5804	1214838.345	1231918.5	945125.2796	927379.0145	1317093.505	914245.9064	987302.844	975707.054	964757.2295	930860.4013	959234.367	971283.5066	1024525.744	1005622.648	1030798.077	961227.5567	1489934.553	1322107.087	1179635.72	977332.1803	1277333.12	1019699.038	1000056.605	963987.7889	1228220.257	981167.6392	1036985.767	986633.2936	1111295.866	1001439.63	1293594.06	1299153.164	1131374.933	1331583.112	889544.4324	997986.109	1271786.086	1359357.296	1016692.981	1327721.806	1065247.464	1175801.133	1184339.475	1226381.963	1543891.409	1145608.268	1232658.586	1176345.187	1144948.911	1224074.906	1058851.744	1078425.186	1166042.1	1372832.378	1237672.953	1198966.435	1177044.45	1373256.977	1250870.051	1560463.77	1261081.685	1201436.152	1474162.326	1097342.75	992926.2143	1123433.729	1005351.27	1262266.237	1421684.591	1218297.155	1266224.641	1198124.719	1554528.591	1263548.206	1384340.994	1277078.407	1246474.404	1109799.542	1187880.196	1415435.063	1221240.042	1162044.344	1021010.607	1225406.457	1079846.32	1288909.595	1350104.6	1218798.395	1211680.698	1213353.309	1166300.5	1306932.454	1339824.806	1495963.423	1392222.564	1366404.926	1227164.126	1306866.788	1271260.848	1164063.686
C253	Methylpicraquassioside A	412.1329	C19H24O10	Lignans and Coumarins	Coumarins	-	3	100558.6313	114947.584	135231.584	159203.584	105549.6362	114363.9187	91525.68375	94427.38125	95059.8825	97488.5295	123244.2563	98635.9512	102398.0063	147186.1325	62771.71875	91016.5296	84600.13	108729.7296	118952.3813	112821.1313	93852.50875	130601.7563	138600.6325	149677.8308	134251.7896	163097.3813	133667.3813	85913.63625	103645.3825	114660.5063	119565.5063	69882.55875	175506.0938	96283.19733	79728.6325	70860.1296	140882.35	122731.1362	115176.1512	104258.6325	90420.5308	82968.94125	130086.4284	99925.5295	97863.0936	69472.53067	101157.864	104454.1296	88558.8284	124295.5295	134280.5063	107324.8825	108551.3825	137931.13	46028.01125	150598.2507	85608.8436	119897.4187	86996.5512	177307.635	165549.8813	132919.85	111685.8862	103296.9187	191914.2563	139067.5512	170559.135	78420.1512	115367.6362	145193.5512	131828.0063	84004.25625	96415.416	110121.4363	114203.216	108118.9296	156998.1325	85230.50625	121207.6837	85843.63125	83855.9532	77803.09875	85893.97375	127455.6765	100208.5987	114047.3813	92049.88625	108592.464	139827.1325	101888.6375	120914.8875	109415.584	117822.1362	183606.8487	207762.2507	101107.4265	98966.25067	117822.1362	83599.584	103921.9725	152798.7612	104565.2237	61621.34875	88540.91867	96185.5512	83307.35	109755.5063	126309.8813	83604.9425	167389.2563	92459.464	63488.47375	98719.25625	73844.464	88909.25625	98739.3825	92588.00625	199404.6925	119589.8825	92588.00625	95229.59875	164313.2238	88819.85	93814.25625	107916.1313	95285.5505	78800.5296	111165.0505	83089.7308	83503.685	68853.7795	132213.3425	94839.6948	80022.1296	128274.1948	142573.0295	98126.1325	138048.1296	106689.8813	118851.7512	94070.5296	66584.5296	96513.7296	103843.3296	78340.896	106711.6325	98536.896	84908.5296	106897.3296	130107.7296	106076.7563	128788.6325	99945.50625	127725.17	146543.0063	138957.252	156744.9173	112208.0063	115273.6313	141024.8813	102621.7296	93986.3925	96513.7296	133420.896	98007.35	93814.25625	80341.8825	98739.3825	118339.2563	97033.416	122018.0063	98111.19733	82868.43375	98973.1308	220543.3512	131828.0063	102208.896	211356.885	86740.9296	141712.9296	136215.7296	120481.452	91436.26125	148412.6325	79712.38125	87345.8005	91974.88125	133387.584	183225.252	96286.3825	176730.1362	100558.6313	97410.7512	71785.635	108460.4265	73764.91733	137346.1313	97512.8825	104850.5063	119502.2238	114363.9187	105112.9173	108529.2562	123958.3862	94427.38125	93137.7524	108830.4187	128762.3813	114787.9656	125590.3512	108529.2563	84460.896	189461.7563	91436.26125	80548.08533
C254	Nodakenin	408.1406	C20H24O9	Lignans and Coumarins	Coumarins	495-31-8	3	91381.4715	148191.848	166348.502	158378.5	116618.7215	135764.2215	49537.307	144657.0133	114040.723	165352.7215	168833.7215	105878.5	145378.723	122710.4715	85289.7215	181835.22	135803.223	177970.3467	100804.512	149688.2215	78350.223	127572.7425	174463.68	146207.2215	191747.584	113995.348	130505.22	92251.7215	70140.34667	145336.9715	55717.223	82736.13333	119347.02	149731.223	117502.6813	71473.458	85289.7215	91381.4715	168011.723	100983.223	170112.6813	120987.0133	148817.9715	198096.012	162221.1813	106063.512	135764.2215	167418.512	141855.9715	119211.012	225399.9715	142027.0133	80660.34667	135890.3467	81537.01333	107857.5147	76233.639	137669.848	143753.012	82413.68	121004.723	130630.3467	93810.34667	139397.0133	199048.1813	95581.848	50479.7215	178004.1813	99966.01467	208925.223	124486.723	147287.0133	182881.9667	116759.307	106940.012	144684.5147	127098.223	120964.012	109731.9667	117488.9715	76640.3	82751.968	77841.307	106960.3467	95504.3055	173184.9715	84050.41067	114956.9667	128024.6813	118357.0133	143753.012	140003.5	96602.9715	137598.6333	163612.2215	109611.1813	125370.3467	112299.723	171395.22	130481.9587	134893.9715	73170.968	112365.968	106960.3467	137504.7215	124450.9715	71365.7215	157807.0133	41565.0555	50753.5	165243.624	81771.292	167093.2215	83510.95867	75414.68133	126191.4715	113097.0133	108798.807	83322.016	115727.0133	143721.968	102578.3055	99213.7215	111397.2215	111429.223	96602.9715	112199.012	154039.4715	142027.0133	180303.968	131375.22	163974.848	187649.348	85904.012	33530.7935	149040.3467	121010.0147	117480.3467	169203.68	142710.002	136767.0133	122740.3467	90286.512	150793.68	88533.512	167450.3467	152298.9715	61886.958	150822.348	147259.012	106175.7215	107916.2215	78907.01333	170461.624	62274.016	136673.723	177093.68	126191.4715	89640.9715	150793.68	175307.012	74282.3055	152576.0147	176183.512	121886.848	158436.223	114872.1813	67510.34667	128802.2215	116698.6333	83274.512	118334.512	119470.976	85059.848	62250.34667	131532.0147	135013.68	287187.7215	107857.5147	128901.5147	156650.2215	89702.8	110526.9715	161375.016	164851.6813	176716.723	148163.68	163280.208	294567.0133	197219.512	173558.54	126191.4715	191405.22	170080.3467	146438.1813	128120.958	134023.7215	113995.348	145533.68	148559.3055	160117.1988	145550.958	156650.2215	203702.223	84885.5	169203.68	115497.2988	178847.0133	135890.3467	148163.68	129635.22	92039.512	107837.0133	90511.2215	124486.723
C255	"Sideretin (5,7,8-Trihydroxy-6-methoxycoumarin)"	224.0321	C10H8O6	Lignans and Coumarins	Coumarins	-	2	15542.59	31259.8536	27742.24743	42785.885	39080.748	17385.1125	15481.15867	24361.8908	24381.41862	42491.3625	53367.42857	30588.4452	31896.76933	29446.95314	15351.39375	63080.5452	24293.44667	33299.4025	19853.8824	20595.861	20012.42588	30690.3925	36533.2896	54349.14375	36142.11338	22512.716	15990.76875	NA	17311.9908	43389.104	43588.8908	44762.64375	28387.176	22439.1908	26818.13375	17206.644	NA	38086.39714	45888.96937	26891.8812	37773.5812	21076.885	NA	12802.56	NA	30766.0896	27735.8555	23822.6125	33356.5425	14041.104	59849.361	26347.64	22526.361	24942.01875	18720.23725	29627.864	NA	14809.81125	26909.90287	28733.25875	23682.56	26990.14	62579.385	31127.6685	17625.86775	27041.3625	NA	24369.4932	25615.6824	33292.8812	24331.4812	25110.1125	27907.9275	14971.1545	23883.55088	21292.96171	26896.0824	22665.09	9602.56	35213.1812	22420.062	21697.104	29616.3625	14722.56	NA	44863.6896	27742.24743	45544.73112	19823.1425	24413.80533	37355.864	23172.435	29377.385	NA	36626.616	NA	27398.4135	20595.861	69123.84	76998.915	NA	16030.1908	21949.20375	NA	27632.64	22987.88375	17385.1125	23129.13867	22939.644	72255.76875	28972.6125	19842.56	27499.51875	11657.59	49877.64375	24887.104	29452.2812	14140.14	64378.8625	25664.04363	14810.1125	16067.64	NA	NA	32835.1125	16642.56	19191.395	30335.42588	13442.56	32382.4176	35251.6896	30903.8625	11570.14	15968.885	21669.0452	30866.9148	40231.885	32130.14	39500.09	33339.692	17385.1125	16710.14	28870.60613	14734.39725	52991.50875	NA	33893.26875	28910.13867	14140.14	23654.28	31905.104	NA	21101.6425	33773.9452	16642.56	20417.2536	52506.9025	19922.64	28942.716	19878.692	16027.6896	56441.5425	22492.64	50646.692	21038.65688	26732.2356	36482.56	17269.51875	NA	NA	26443.32533	23734.464	NA	43808.8176	43535.77112	17922.56	46181.5425	55159.0425	29673.74629	44701.385	49305.6525	28069.76933	23135.14	21798.2908	58700.16	46946.716	31406.8896	17936.562	24264.63375	36125.16	141975.395	28755.2475	39096.4896	12878.8625	31937.63625	49990.0896	48868.1148	43822.62	28715.104	37685.26125	25002.7908	NA	20421.104	33201.88375	45692.361	20421.104	13380.822	14082.56	35086.6536	27613.19943	15459.864	21053.60267	32052.6908	20513.2896	NA
C256	Umbelliferone	162.0316	C9H6O3	Lignans and Coumarins	Coumarins	93-35-6	3	NA	26389.935	NA	NA	43854.6055	39816.84	32871.05222	49942.45309	NA	36787.30088	NA	37613.79463	NA	NA	NA	61930.32	24609.52663	50857.96025	NA	36131.3889	24927.46691	56839.27	67781.86071	NA	NA	49178.89487	27217.6494	31140.59357	NA	NA	NA	38483.56909	44952.84	30994.24222	27235.96333	NA	31868.8725	NA	NA	NA	46028.85111	26830.89925	NA	NA	44028.90163	49349.2896	37729.61733	44088.29667	NA	32657.8824	122913.2069	28397.11225	NA	45663.288	17987.28333	NA	NA	42140.18444	8318.26875	9689.425875	NA	NA	34336.34111	29673.74629	NA	73842.84	NA	30117.96762	37428.86225	97229.62889	33542.88914	25779.7316	60328.63778	NA	41303.61338	33474.93625	35769.2632	40885.9365	44680.52775	59343.74743	NA	34339.09588	42461.86333	30335.42588	19954.935	76820.79778	53025.1925	56333.27775	20023.41	26464.30088	60698.73964	32824.935	59650.6685	62813.09137	91182.3264	30791.5425	44589.94163	NA	64829.63	80769.44163	65484.9185	31760.69236	42535.21889	39611.4425	49926.9185	92182.0812	27456.50875	27211.1724	NA	62825.692	26284.5908	32542.55314	50348.18286	46584.064	71204.16975	56757.74629	55468.032	61878.3264	41303.61338	50033.91863	63878.98725	34445.25257	NA	64755.40388	35659.07333	NA	NA	34433.75875	35768.77	NA	44899.0425	31406.8896	41463.62	59650.6685	29767.89375	97085.6148	NA	NA	NA	26475.828	NA	NA	NA	27188.27213	NA	NA	26646.31825	NA	20710.47	57623.9406	15052.1492	NA	NA	25361.7	23445.835	28640.09067	55827.325	21078.162	NA	NA	NA	49510.28571	45975.27775	NA	27275.96893	45766.5768	33426.7361	56017.5264	NA	22164.03	33606.87912	32834.20444	NA	59928.88	NA	61088.50114	39501.52775	57082.7925	20221.6907	50145.18778	NA	90748.51778	36119.69433	75355.77	37490.50638	NA	NA	49212.15275	76438.78338	40763.43667	NA	48001.97	NA	52752.0448	36117.6055	67848.19163	37278.144	32614.95067	64950.716	NA	23397.53714	NA	NA	NA	23296.93556	34180.04187	NA	23023.89375	28499.8428	24269.385	43564.10725	NA	NA	NA	NA
C257	1-Hydroxypinoresinol-4'-O-Glucoside	536.1894	C26H32O12	Lignans and Coumarins	Lignans	-	3	NA	13123.4985	NA	NA	23711.5945	13902.06625	NA	NA	39987.7485	NA	44860.984	4529.504	36014.43	10343.836	NA	NA	NA	NA	7079.43	NA	NA	6875.745	NA	NA	15884.47625	NA	NA	NA	NA	NA	16622.24975	NA	11840.738	NA	21900.3268	NA	NA	13488.452	NA	16253.75	5794.074	NA	6952.815	NA	NA	NA	14142.71	NA	13087.984	36014.43	NA	14997.7485	NA	26545.06875	NA	NA	15195.32875	NA	NA	NA	32490.7485	NA	7809.0012	6251.2485	3206.343	13753.75	54962.245	NA	NA	NA	NA	4480.448	NA	17692.7905	NA	NA	13748.2485	13742.747	NA	NA	NA	5831.385	8970.843	6251.2485	NA	NA	38920.35467	22727.1732	NA	NA	42270.8024	5689.815	12813.843	16867.745	28655.316	19312.816	23411.696	26243.2485	NA	14997.7485	NA	18951.315	13555.696	4472.272	7479.738	10741.815	19296.43	24616.572	1919.331	NA	NA	33646.984	15575.816	NA	2662.66	7646.548	NA	NA	14735.343	52945.816	NA	NA	NA	14522.8732	14332.738	NA	11215.98267	9581.331	NA	NA	NA	26988.5088	36707.31375	NA	15458.576	16090.074	18973.8225	NA	7677.114667	NA	NA	NA	22740.315	11558.3004	NA	27155.43875	NA	7031.26125	NA	NA	NA	NA	5689.815	NA	NA	NA	NA	7049.343	NA	29988.99733	35980.2732	NA	NA	NA	NA	NA	NA	NA	11570.9088	NA	NA	8960.674	NA	NA	25578.448	NA	8008.4445	8746.747	NA	21898.18875	NA	17154.72625	3082.4445	NA	6436.7148	19261.7016	34353.745	9347.482667	7710.8535	23315.18	25554.81867	NA	NA	NA	NA	22802.7984	19218.843	NA	12818.8445	NA	29055.315	NA	NA	NA	NA	NA	39633.44667	NA	40485.21	NA	NA	NA	NA	NA	NA
C258	"3,4-Methylenedioxy cinnamyl alcohol"	178.063	C10H10O3	Lignans and Coumarins	Lignans	58095-76-4	3	45175.87675	44250.27862	61232.39345	62816.30518	84436.12392	21693.22625	40825.045	34938.87345	76426.28583	59680.374	19714.41225	96963.59855	28942.40625	54400.04817	NA	80983.30418	33222.6765	43829.992	34628.57667	31571.24375	20194.06062	126574.3538	164166.1161	66443.05567	46859.90964	33322.1965	58399.679	32589.41833	40260.129	232527.7578	21133.20929	50674.8645	47766.1665	28994.30545	58367.46825	30503.148	52927.36218	70007.24717	32850.94909	22479.80625	122176.1802	34858.44491	56111.13567	49026.39291	56519.86255	47306.66583	28130.01775	33305.96	11322.73891	60499.77891	59063.394	38408.22625	28737.13388	37473.0635	25207.59717	68664.453	20849.27657	34604.361	16316.32125	29109.27857	20752.89686	31112.6732	23140.5685	47986.75757	27794.694	39928.04264	31533.16725	21478.191	21096.74338	62662.06875	30911.50333	25000.26275	50390.71375	NA	52405.29	41389.64958	45520.9755	55871.2475	26233.39063	55495.24113	58782.0405	57481.77	51518.3175	45730.36425	39978.58513	53211.63686	67888.68913	29971.19975	55393.48175	65156.953	284770.5556	24246.838	54737.59971	65627.63914	57952.92275	49486.9545	47525.44286	42424.67363	73521.83775	103743.0999	78270.42	87229.13713	199793.2437	113976.3926	215081.3177	154742.55	84873.192	62968.97538	74741.90463	125631.2848	67241.007	85825.92729	124690.8346	187258.9523	42170.0175	94069.678	119262.42	100983.9256	94929.01825	88907.70143	72961.89486	160095.6756	119831.2945	66480.18487	94366.31125	93146.482	42551.49964	47134.02171	58187.35717	57340.70618	81960.19525	52924.94025	74590.00625	50521.87875	113612.9748	59963.2605	94028.006	234491.1702	79230.16942	541820.91	52479.80833	59660.1785	97194.89	52456.35525	70476.745	46169.5065	61410.726	94282.016	44005.85367	161601.7438	52811.79545	75391.884	35112.54109	81158.658	63707.23217	81748.224	71045.764	39520.30255	41073.67855	41823.26291	36223.348	71392.386	135538.2611	48001.863	124086.3574	74088.432	86332.92783	45029.30236	48482.63767	95336.72117	54997.504	59595.2705	26070.74667	40212.7	72368.01	113511.0196	85330.128	232061.6698	63524.8175	142688.7125	142144.374	68305.07017	44099.2825	112125.4485	61796.83925	102216.8451	37773.19	56330.83582	94131.31136	44584.23783	58679.27	25940.77855	61559.05275	105746.5955	74636.21	65661.70683	53928.05727	139187.2996	269182.992	120454.945	71878.33575	68660.93	59941.6275	105663.9153	118757.5132	128642.981	177680.085	109418.0483	122824.6893	76849.6755	167392.6233	83428.852	31634.69458	118397.8053	35418.14675
C259	8-Hydroxy-¦Á-conidendrin	372.1209	C20H20O7	Lignans and Coumarins	Lignans	-	3	26010.78625	5473.288	201520.9113	20964.12267	26431.12267	103880.2893	48200.2675	19507.785	91107.288	8365.785	20960.288	143971.6227	72873.95333	78338.95333	22817.975	75634.12267	30126.2265	63880.475	13674.78933	124428.285	36447.288	251489.2893	24290.098	117944.6613	25662.4515	92193.2265	57492.975	116071.785	141141.285	121642.785	41791.785	57235.672	165826.9947	60804.14933	53857.7265	45630.475	61055.456	48299.12267	143945.288	208021.2862	228192.9765	44577.285	305568.0375	250942.975	98555.475	14819.704	115011.9765	17316.288	18263.96933	166496.816	89479.478	50148.285	26939.41125	20744.1088	16724.53625	64995.53375	95997.538	128125.0337	56595.9765	52005.285	138479.288	13696.7265	92871.78625	74709.288	51076.785	44577.285	37358.288	155997.285	9295.53625	206766.4533	20085.9765	83574.285	18510.5515	71295.504	82152.9765	29938.14933	62218.785	51076.785	22523.50533	332457.0362	171661.504	147842.8187	68323.32	133266.9765	140301.538	66636.2265	79225.592	74122.672	71503.785	154161.0363	23224.91125	125373.6612	43743.28933	25167.728	44427.702	35292.285	36515.4765	28796.66125	82908.288	45031.504	343600.5363	363951.504	59101.504	179233.9112	161606.478	20085.9765	74289.285	50148.285	15361.9128	82130.475	70357.504	32843.33867	57591.7875	42645.51875	23743.478	64093.0375	143017.5363	117805.7	132802.6612	55578.288	149149.504	264570.5053	167951.4765	19507.785	88240.5375	88216.785	11152.78625	57584.03625	101215.785	75060.83867	141520.478	85153.152	234817.984	28292.975	30653.91125	99170.484	59441.28625	207993.285	77589.2265	66861.285	25082.16125	244172.984	83266.984	90367.7265	600598.484	66861.285	114158.8187	118794.816	13008.285	195561.8187	71180.475	78931.785	63880.475	32837.504	69712.41875	357803.4765	115158.7863	85442.78625	26935.785	39950.91375	24150.285	22523.50533	210807.1612	38362.984	195280.475	112039.7867	348196.785	30653.91125	311985.285	112287.4853	29018.32	88864.14933	29095.84	59890.152	26017.78875	12048.206	86371.41125	488334.5337	52926.65875	155997.285	110500.785	108544.8187	26988.598	50195.54375	90073.785	107700.7837	19141.78933	56478.95333	255575.4765	98523.04375	105858.285	60804.14933	41797.41125	45499.65875	71503.785	37428.2265	23224.91125	161590.0362	55719.285	71118.152	26935.785	57568.53375	52005.285	317093.2893	54276.152	74299.28625	58512.66125	113223.152	28117.496	87629.4765	123516.4113	165304.5362	207199.7265	77064.40875	52933.785
C260	Manglieside D	522.2101	C26H34O11	Lignans and Coumarins	Lignans	-	3	9846.56	31530.5675	15103.18875	43966.5732	47285.25333	24934.56	32524.976	NA	172107.8188	76289.4912	55906.928	80023.30875	109412.4262	70198.56	17108.92933	22966.56	NA	53865.588	NA	21654.56	NA	40084.884	116403.0912	39427.884	41442.9924	20183.604	23006.3852	4559.604	26287.884	103654.56	NA	38817.42933	41957.244	17766.76267	64456.59467	8554.6965	34401.969	81562.6924	21654.56	9873.948	82598.244	47201.244	31755.969	40030.18625	46723.264	41381.8175	9870.1965	38710.56	42049.4828	51174.56	53100.744	84543.24267	13115.244	86697.5675	7814.604	61622.244	80918.76267	20401.948	26456.6125	15626.604	66918.56	48810.1545	35522.4465	22292.244	69751.948	20401.948	76792.4045	15933.30933	36851.948	36066.912	8557.096	26113.9165	25569.744	26462.646	10495.912	13126.56	43268.244	32230.928	21712.3275	18374.56	23618.05875	30929.948	82662.56	31494.56	56378.244	32195.9828	170435.244	37501.76267	NA	38679.744	275315.244	30923.42933	45261.93375	65114.26133	30835.5215	57236.76267	76412.5215	82646.80875	39335.244	33188.64267	52445.244	49330.26133	40488.976	29502.744	27558.56	80631.744	64244.244	23681.26133	23603.244	32245.948	11208.272	62949.24533	22503.4705	28198.912	9861.57	13115.244	25665.948	20369.69375	51164.80875	96024.59467	3938.244	30923.42933	26969.59467	40133.096	105540.744	22286.576	26463.969	24089.604	24996.32625	10511.92	50000.596	35519.26133	80694.56	NA	NA	51910.884	36086.56	63831.264	19710.25467	79976.244	20403.264	21625.67625	74998.26267	21636.744	6512.604	53289.76267	19518.903	15737.244	26211.55125	24310.94375	21051.9465	NA	7163.604	21636.744	487437.6936	55226.07375	57078.56	21018.58667	16392.744	20396.5924	65788.596	15789.26133	19709.0675	19182.8625	48037.948	9198.586667	12503.8275	17765.8275	26376.26057	46704.1965	NA	48684.92933	12368.1545	14426.244	40801.264	34814.3175	45783.924	83459.5852	19014.744	40648.866	81190.6564	62326.56	18525.969	64393.884	45750.978	118620.576	33519.9852	73663.928	14975.604	102362.0612	59794.884	NA	5860.6545	34870.42933	83569.948	29008.3092	82253.948	17769.948	93074.6648	28191.744	24913.0648	26246.56	13138.58667	37491.0912	12505.948	32144.43375	81350.56	59125.31875	146489.6937	25569.744	24295.752	11720.604	32187.3175	NA	19717.884
C261	Secoisolariciresinol 4-O-glucoside	524.2258	C26H36O11	Lignans and Coumarins	Lignans	-	2	NA	23737.245	NA	17836.428	53387.084	NA	7599.798	NA	41165.0495	22292.6175	10131.798	17733.83125	23524.752	27459.331	9995.747	12268.373	NA	36228.584	18434.2248	NA	9555.093333	NA	38632.7984	12079.584	11622.873	36351.00125	17635.79625	NA	11318.028	20527.79733	20154.29625	15089.028	25017.13067	NA	33354.464	NA	15089.028	12761.76933	6988.81	NA	20383.76133	15327.831	25253.7875	10219.831	29130.732	18995.064	NA	6386.3295	11467.8675	33568.5825	NA	34860.873	20435.831	24690.798	NA	20341.084	13207.02933	NA	NA	NA	21174.632	6367.546	17832.8205	19250.132	11404.8325	NA	53824.232	16406.71333	14679.104	7061.632	NA	11386.8225	10331.873	15285.8205	12135.331	NA	41961.373	24067.2995	9444.0492	5135.797333	23734.464	10824.319	66218.42667	NA	20659.873	19001.2995	35027.6175	18329.7816	24702.3984	13301.95625	55090.56533	23888.028	20378.42667	15828.798	16970.02667	32655.77875	30285.04667	16786.873	NA	22791.798	8943.8596	17094.798	33552.798	27093.78	10977.373	30342.373	22351.331	6246.2455	12135.331	NA	NA	41464.26933	NA	13350.584	NA	12738.8205	17195.09333	NA	14648.42667	44313.798	5135.797333	NA	NA	13123.37125	36151.873	NA	32058.528	11496.831	11523.84	13370.319	12030.798	14568.5495	18439.41867	10219.831	NA	NA	17439.1245	NA	NA	25178.373	24523.02933	NA	17101.5495	NA	NA	45841.15375	NA	NA	13354.08533	13860.7975	16552.819	NA	18231.528	NA	333966.325	NA	19696.5615	NA	NA	11360.04667	16350.36267	NA	NA	NA	12708.8115	NA	NA	14089.3415	NA	8281.5705	NA	30204.3492	NA	10207.65	19606.0725	35842.80133	26450.54625	19626.798	NA	20976.584	23491.5164	19361.3715	15717.528	25145.028	7569.042667	8913.546	17783.81	33763.548	4461.0705	27295.4152	17094.798	NA	NA	9528.81	47680.08533	NA	12653.82375	27393.548	40133.548	NA	14456.69333	11496.831	NA	NA	NA	NA	49574.084	22800.7995	16468.2995	NA	15896.752	NA	10732.048	NA	9502.5495
C262	(7Z)-Hexadecenoic acid	254.2246	C16H30O2	Lipids	Free fatty acids	2416-19-5	1	24877.68769	38469.46917	9971.830417	11789.32738	NA	34989.64833	14192.23267	32866.13	21001.416	41701.54154	27478.644	17012.03538	26321.86515	NA	15626.244	47072.56667	NA	21215.85031	16758.70554	12579.48	10459.16308	22450.22746	13235.98	19052.12354	12531.672	12119.29231	25171.259	4510.7325	18845.34675	12306.0025	36051.53662	21426.97846	16716.05833	12546.44769	13069.99846	12499.75862	15164.37	12354.824	17674.02	8255.85	13211.022	41510.79692	13032.36277	17012.03538	3704.092	11172.00357	21000.89475	46919.54215	20692.47042	17811.57321	14796.11042	9604.786154	18224.72308	16016.83354	17929.051	20713.67308	22421.43346	17725.10485	20247.54325	12291.6035	23289.468	28236.52323	40086.17308	14386.01625	17559.50792	28893.70167	18837.03292	18876.187	10971.985	29186.87917	60051.60567	15241.422	29189.32158	16475.87183	13114.538	14594.30875	13575.34008	18412.82638	17147.69317	39181.0625	39375.55725	28663.86667	16185.26831	18643.72164	14640.945	71024.54264	12115.55958	11530.72317	NA	23716.7595	17358.22375	12292.59942	9922.973333	23457.3825	13212.244	14675.547	13637.05846	22468.37323	21455.70392	27839.231	17718.35342	26979.33277	28856.68542	11545.22792	23096.3625	11677.65077	19765.91077	22191.15	15951.0375	15624.93658	14547.227	11686.81375	13767.552	13580.46	42228.932	15769.668	15499.66042	20430.51667	51987.84592	34223.022	33946.8155	16349.25643	13165.35231	14624.268	18025.76	24586.17023	80141.30542	11587.792	18223.31031	26632.74092	14118.08192	20048.11667	17721.36692	12067.69958	25602.10875	10723.83317	17954.875	35395.14831	12828.56823	18720.78923	19023.757	15633.88708	23620.17083	16023.12917	17336.91733	20572.60154	14196.79208	12964.53738	12770.01	42739.18425	18336.81767	10530.82283	17690.2525	46468.47575	12784.6025	12338.18727	12121.22423	17242.752	24431.88	10742.62269	15242.50458	12246.78725	15057.05917	28563.68533	10638.77117	18338.352	23150.38936	9603.792692	19860.83385	12304.94242	24096.17917	23502.895	NA	14540	16044.37154	16822.28423	9627.336	25851.48933	23594.76623	35033.48583	24094.1875	33739.72246	19050.13677	4570.258	60596.45833	13727.09092	10496.27323	17955.87083	10556.34615	16194.24167	10215.20585	14262.47483	32123.99508	9665.244417	9149.579143	29069.36942	14579.22408	9043.228462	8113.267083	11537.83617	7847.574308	14508.93785	14119.69708	12435.0155	12309.94154	16232.89538	9967.890214	13925.43508	9770.938417	12722.904	19550.91508	11413.32923	15383.63333	NA	39046.36508
C263	"(9Z,11E)-Octadecadienoic acid"	280.2402	C18H32O2	Lipids	Free fatty acids	2540-56-9	1	172972.2133	264588.3332	55808.39645	124512.148	72951.32767	205406.4375	88932.2205	257784.7917	162125.9535	265838.1538	243627.3505	99318.4375	221625.0349	77309.47917	149094.3084	321050.0017	88486.23945	217328.9833	197662.7835	112103.9805	91841.28382	158707.5992	198156.1827	153340.1999	65509.65091	90675.56073	116796.1567	96133.10373	94214.83927	83259.5	254710.9388	181707.9777	161538.0916	93828.25	119120.9375	94307.306	76311.9375	75831.65164	125531.3549	71283.76555	84217.84655	314280.3229	74976.037	69334.1915	197786.8393	67548.04473	236499.6518	296059.4271	132845.9671	98995.215	71915.13	45017.02771	105177.0425	86083.21236	133801.8531	161776.9636	173337.0762	80077.17718	155100.3513	81943.65091	138487.9132	154072.9309	308824.2099	67798.57191	81521.47782	102119.2154	93519.67073	89322.97309	61576.06836	209676.4599	341111.9689	92761.0324	162674.4175	104861.0602	71157.11527	92514.93455	111140.8618	151598.5275	79868.32286	235189.5565	260139.0364	200454.0578	136773.4655	129497.785	113958.3222	270052.8364	82699.66636	83818.82229	63643.36073	160210.7055	100074.9779	103349.3959	58969.37571	112642.9375	82847.93964	79663.02155	73977.55345	215505.0736	221642.9884	207592.0058	143922.7815	241123.5992	243338.7273	82482.60791	183978.8676	97574.90109	154235.6189	173983.7236	126320.7615	79413.41882	114830.9215	70737.75	132224.7336	72644.81382	236627.004	167013.0975	112798.2458	163296.5754	341571.8021	198166.8438	231622.0864	163197.3244	98156.32582	141325.0936	187961.9505	188252.2007	322200.0586	133952.3076	126996.9432	208632.5025	99244.81773	114428.0592	59162.075	77582.76436	250855.0691	71199.64018	164209.012	261422.9775	113672.8781	174189.8567	175694.7786	149633.2124	183939.12	85255.90691	132140.6083	178562.0933	112631.8604	105168.5628	71813.81091	309169.1324	152302.0375	75222.86636	156409.389	279076.0017	71774.06327	130947.6422	96847.06091	97496.6265	229390.305	84580.73058	76130.58909	111469.9353	99237.478	229312.358	80360.47709	199186.036	244123.9937	83523.09817	110081.9291	117452.8745	163088.5392	223439.9173	80978.09958	85553.64591	85313.36733	143882.1055	117216.8027	247546.1936	212339.3703	282213.8623	203619.4337	323378.1172	81383.37025	111511.5316	329606.5035	172128.7522	104919.013	151306.3999	103696.2633	121384.6596	74594.29673	142249.3956	240352.8438	64077.23691	61522.36555	274769.0015	134847.5882	100863.2183	76303.55373	64980.23717	78927.54875	133592.0019	82388.87475	74802.27855	110280.0316	120681.2189	68931.702	82648.08527	70861.12909	81495.90818	158774.6629	90482.25891	79371.81836	118176.6268	245463.4227
C264	"1,14-Tetradecanedioic Acid"	258.1831	C14H26O4	Lipids	Free fatty acids	821-38-5	1	12300.89538	13929.49171	13599.57092	14021.60114	13196.566	13340.28286	12691.76643	13670.65929	12912.96462	14820.20392	13291.5465	13387.57393	14362.8525	13101.23554	14990.85486	13968.90146	12884.93036	13606.6365	11965.094	14437.34115	14408.015	12714.25885	12339.04985	12870.738	13921.7265	NA	13339.45846	11865.304	13372.27821	13135.36192	12361.96225	11871.098	12968.464	11695.11123	11057.958	13278.92262	12477.11892	13122.886	14028.57531	13606.84129	11810.38	12445.09385	12749.14	13893.96923	13281.038	13608.88714	12191.32171	14631.73631	12715.18523	14029.32123	11966.098	12142.99625	12280.42615	12143.736	13874.16923	12277.89385	13289.99462	13341.58015	14097.24386	12905.054	14352.46167	13623.452	13810.01985	11526.74931	12828.82115	15063.978	12309	12332.90838	11352.08954	11378.455	13184.19038	12270.81754	13278.92262	13236.10167	12138.22543	13045.55185	12809.566	12401.71708	12826.74462	13278.17669	12289.43708	9987.12	14204.70514	12318.70015	12277.668	11871.36577	14091.23285	13271.412	13217.628	12758.64169	12090.422	12598.77785	15280.23423	12373.156	11927.78862	12415.30308	12380.30443	13137.16431	14110.18714	15178.23323	12622.51031	13213.28138	13444.95846	13372.163	13345.07792	12245.07323	11338.77669	13842.84046	13622.79315	14282.17	11997.172	14185.62329	10932.63	13123.02469	15620.18	15212.48958	13539.15985	13553.21354	14584.804	13718.194	12864.01333	12653.09315	13591.374	12339.02667	14961.5235	12621.774	14500.748	13435.56646	13968.104	13654.53977	13045.626	18936.035	13353.96277	14062.1	13404.23769	13638.89571	14530.588	12304.51892	13497.47808	13258.72154	14364.38769	13466.14931	13944.36346	14209.28229	14342.60892	14283.0265	15720.32885	12717.062	13122.27877	13244.37429	13626.6595	14063.55	12491.39057	13124.378	14312.10643	11759.42857	12309.746	13750.94377	13919.65086	14532.6025	12777.66231	12121.754	12335.10438	13788.75308	13810.32736	12152.57877	NA	13372.163	14029.32123	13636.847	13815.22154	14705.77846	15705.95477	16294.77107	16029.19221	17949.627	17235.67464	17069.94	15886.35571	15053.86686	16315.02	15087.49543	13531.59715	14000.13346	13170.348	14278.27208	14312.01	12341.078	NA	14738.80686	11630.16146	13747.055	14310.53423	14401.53346	14833.98707	14900.14038	13115.07136	12710.88286	13322.30529	13780.67786	14694.046	13908.87169	12747.07946	13189.76154	13341.58015	12961.85762	11943.235	13426.68136	10590.216	11310.106	13093.18069	13904.75208	15913.70429	13372.27821	NA
C265	10-Undecenoic acid	184.1463	C11H20O2	Lipids	Free fatty acids	112-38-9	3	31898.02971	29471.43686	33789.56429	31384.40014	31944.1186	29883.29007	31994.376	29378.62321	30825.528	31687.8188	28732.88271	29112.21571	31989.46286	28407.1008	29319.02679	29822.13867	31950.07644	28079.15979	27961.63721	29215.13833	30798.43	29206.19186	30503.29071	30534.42864	31372.94113	29709.67843	31049.6	33843.16	31181.968	29689.6608	29428.542	28903.188	30327.97007	30795.0672	27813.93993	30855.1872	31898.58571	30329.904	29384.07986	29886.77229	29200.938	30890.56886	29146.39179	29710.64914	32752.9132	28658.63393	27990.22379	27845.82514	29410.0235	30191.4096	27961.63721	27520.92123	27506.47371	27135.673	28940.154	31691.06486	27197.074	28700.91771	31214.4	28426.095	27488.37064	28199.06457	28288.16271	30270.34329	28523.09486	27524.37308	28109.70773	32600.93362	30637.39643	26747.502	24865.22723	30300.52071	29383.28571	29611.03008	28175.76346	27774.64962	29675.226	28988.83036	28390.00243	26444.46769	27516.61286	28575.582	27973.33971	29104.62985	31335.28886	24642.73077	31277.31643	32631.25714	28493.66507	27487.87607	30911.54314	30179.47871	27754.33846	27077.09486	25337.56346	31542.96	27505.89279	28226.063	27456.52	27283.572	27871.26692	28258.61993	28722.02571	30031.78143	28316.58714	32077.84643	29251.27679	31510.34243	30508.58614	29451.15046	31485.4635	31149.20536	27577.30664	30388.67057	29926.52923	29275.30769	27639.348	28670.71829	29560.103	28898.63036	27568.31429	26453.69557	31451.58114	30474.87329	30301.544	27549.35908	30685.68	29676.03743	29619.94029	27692.76077	30979.77773	28447.2496	30735.7488	30811.3792	29324.51914	29445.49464	30152.45786	28067.1375	29087.86457	28167.30171	28440.4065	30178.68464	30530.80143	28818.25607	27990.22379	31868.95286	28759.679	28697.16564	29000.73464	24617.147	27935.69329	30759.677	30929.5064	30622.131	30987.3808	30234.96857	31697.7296	29599.188	28879.79914	31007.5324	29499.75357	29987.80307	32495.2864	28348.91253	28775.50993	30899.38	28027.82214	31851.33907	29476.73714	30433.62219	30281.9566	29711.803	28157.22771	28215.74607	30311.727	29558.51486	30015.5534	29966.62029	28533.8738	27239.0224	27097.38893	24081.73927	27415.024	29660.2336	30444.73357	26590.3694	30569.78857	27905.71457	26255.65	27241.5744	29717.116	29365.312	29218.7224	27913.08143	31045.45143	27206.00929	29954.3624	29235.5072	28466.84486	29034.737	31372.6816	28569.66857	31187.8204	28735.7568	29437.3332	30217.15667	27931.938	30520.79693	28140.486	32351.3386	32451.45725	30502.72271	29669.11571	29369.78814	29369.00543
C266	"12,13-DHOME; (9Z)-12,13-Dihydroxyoctadec-9-enoic acid"	314.2457	C18H34O4	Lipids	Free fatty acids	263399-35-5	3	12676.63418	15490.84509	10061.65991	10114.28464	9244.758545	9612.83125	NA	NA	5933.848091	8198.318833	5890.580364	7802.370545	8050.025455	NA	5940.745909	16545.11709	7047.272727	8906.735091	NA	7047.954545	6450.485	NA	NA	23436.58067	NA	NA	9531.176182	NA	6933.187	NA	15575.60325	NA	NA	NA	NA	7951.032455	9156.756364	6040.922182	5901.587	NA	NA	NA	NA	NA	NA	7789.356545	10328.09091	NA	NA	7347.016727	4907.452857	5206.293714	5740.793909	6102.385	NA	6419.763429	6999.383	6141.463273	9225.054545	NA	8036.544	4804.525714	12442.796	4862.073714	6673.175091	7819.35025	5606.807429	5155.429714	6132.206364	4911.166857	5765.808571	4267.644	5973.890875	8744.358857	NA	8653.213636	6120.511625	6199.630286	NA	5891.414333	7140.736571	5991.174	5286.905636	6676.483273	6593.428364	7898.3435	8411.634	7872.945455	5965.094571	6646.1	5331.600625	5011.205714	NA	8247.4725	NA	7497.358545	7750.870545	5605.881143	7150.61	13081.93636	8251.886545	8553.509818	11004.42943	6596.080571	8052.683636	7548.098909	6928.138625	8974.174091	10463.79055	7901.402182	7041.624	7647.3462	6347.836	6021.89775	13489.075	9926.363455	7448.497455	7799.166818	13334.80914	7298.155636	7863.0671	6687.627	6546.987429	7424.211636	8391.122	7240.775429	12985.1282	8197.997	6442.146909	7975.621091	8380.106857	9894.04	6199.630286	8374.023273	7538.113143	7699.380364	9525.627273	9726.016909	10164.09018	NA	9274.681818	NA	7597.899636	NA	6945.792	NA	7320.490909	6670.654545	6550.3695	8826.084091	NA	NA	8475.963636	16488.42727	NA	NA	NA	6493.203818	NA	5970.254545	NA	8022.536333	7873.881818	10716.55273	6998.6332	7668.143583	8455.666	10113.34491	7096.133818	7399.412545	7617.548	10820.42118	NA	NA	NA	10942.19325	NA	17791.84545	8048.658333	8725.144	NA	8274.512364	10438.33883	6020.466273	11079.05455	NA	NA	8654.990545	8322.039333	10716.64982	NA	9425.436364	9979.796091	6627.237545	NA	10208.45875	5302.6454	NA	NA	NA	NA	8446.308	NA	7186.71325	9030.298	6358.316833	4427.843	NA	NA	5469.640167	7906.325182	NA	NA	7568.300417	NA
C267	"12,13-Epoxy-9-Octadecenoic Acid"	296.2351	C18H32O3	Lipids	Free fatty acids	6799-85-5	1	62313.1872	98443.55912	18009.80264	29421.16094	16404.374	64420.7445	23311.59387	77633.83714	39929.6392	39019.01667	22719.299	27651.5904	59551.62361	17835.25525	24586.30316	90061.884	19383.77694	47288.90629	17854.8676	13199.794	14467.27765	57753.03962	79221.45	50321.72224	19253.32875	21761.94293	52766.28789	28987.89753	20648.7399	24545.56565	81999.13724	39313.55278	38223.631	27122.29975	25176.01835	9171.086333	24206.28587	21969.0066	43546.90871	14925.35895	24480.00007	115094.9791	20196.226	21725.2866	59261.92594	17953.41893	46239.41476	120523.928	43970.90653	27501.45059	30615.12814	17103.52794	22117.7616	30593.925	32614.36412	57152.34212	36425.09786	28759.50429	38655.72563	22610.89286	28392.99767	50183.67444	98723.18281	26937.48787	22867.44729	33756.54429	35506.29933	33012.7276	20502.1802	33989.66025	95796.79812	31411.37475	51115.93256	24734.0616	14654.7122	25773.11471	23567.3064	35426.60741	18905.3385	64207.72294	46037.97729	48238.07224	22718.2125	30476.52424	27018.80541	55380.8445	19905.32263	20308.636	20729.71431	50758.41812	21632.9728	19986.43453	14528.35708	27130.80931	20408.03786	19333.81147	17030.28462	45331.79625	44034.14588	44767.59941	34055.73773	46128.92788	62048.45771	16902.28376	34017.96265	23709.3792	52052.61794	48097.25059	25839.7815	34574.51223	27109.5176	19688.10573	27088.69712	22434.32295	93701.45933	39394.50375	27962.54118	36861.92293	111032.8496	66972.55881	54860.83487	34464.8276	24146.46754	18098.416	38974.168	36778.0864	144020.6956	27404.62633	31936.5585	42975.57759	31388.988	28303.0488	16774.05185	19541.39846	58927.50733	17165.58038	33961.15847	111012.72	29615.79669	31717.86071	33414.388	27451.515	56329.82161	18754.5837	29939.53168	43185.41741	23988.00105	9860.928	17113.28028	73310.82	16060.749	22750.10481	26659.53371	170756.1607	18972.36343	29183.66471	23016.5778	19191.16753	62288.79825	NA	21474.92373	35471.365	33965.3044	60112.61667	28691.64279	34013.4359	13840.21333	18021.5742	58012.07143	25622.6596	44025.75222	78729.429	26496.116	7772.976	15830.9626	38314.73537	24275.47367	122236.2704	35411.39461	140531.6238	53883.87371	86649.011	23034.935	24328.77	122788.5453	32983.89267	22729.90533	49807.18925	25512.3716	29067.78089	23199.06618	13399.02	209659.4928	20632.56053	9142.959	95388.4645	11003.559	12111.414	19817.17427	19245.92527	23829.57088	29894.27581	26184.12	25088.05286	33441.50118	36515.67867	20792.92367	21842.783	19186.46206	19735.9545	36054.92171	17991.66794	23067.94444	30046.10226	57268.6075
C268	12-Hydroxyoctadecanoic acid	300.2664	C18H36O3	Lipids	Free fatty acids	106-14-9	3	19950.74954	20541.29423	19288.161	16924.31431	17808.58846	17144.85577	21054.78769	17384.904	18043.534	18658.98462	18472.84114	16949.73429	15297.46286	16291.52817	16344.69415	16045.13031	15862.97723	16430.17607	13589.31054	16612.29714	17378.30586	15643.34723	16789.356	65172.06431	15410.281	19312.38615	18916.779	17074.93685	17267.912	19023.67692	16898.196	22047.94654	16962.49038	21890.24492	18995.60123	16651.84138	18044.33723	18326.51858	17047.70769	17107.76062	16377.91692	17121.94877	15812.21769	18105.57054	15184.18185	17011.45	15612.31731	18087.77969	21190.91662	18863.10577	15714.792	14613.669	19245.86825	19619.56617	48768.43067	22120.47017	20517.77885	20033.946	19260.3525	17452.24733	18751.69617	14907.95192	16530.98938	16129.41108	16955.83262	15500.74167	13714.85262	16874.16723	14590.59117	12620.08183	10072.21775	13951.49642	14202.097	17193.45	16012.29233	16383.96185	15131.90208	15440.125	13922.04217	14138.05225	16864.008	16557.38125	13367.5045	16156.51778	18425.88946	15161.97708	16473.06092	15474.1545	17613.2145	19166.27883	16755.3135	18140.69575	16931.16488	19291.41346	19923.13633	19479.98769	18698.85	20089.157	20883.09877	20674.05625	14912.52075	17354.19933	16485.3465	19762.9935	18668.77908	17529.316	18958.94583	17912.79808	23182.53154	16745.96	16958.22992	16393.355	16194.34569	383221.5118	20160.606	15239.10188	24558.58542	14762.79969	16041.65938	16770.76875	21377.47708	13845.06233	27616.561	13939.088	15166.68825	16205.358	14649.18646	15407.58958	15164.437	13916.07054	37615.67538	17550.43333	13050.01292	12378.768	12947.86169	16345.46454	13937.15067	15550.41346	14968.24708	16379.42308	15131.22369	16438.14215	18950.24908	16755.437	17640.56933	12062.41538	16318.35577	88249.072	10899.58185	16785.19167	13717.35715	11592.506	11500.4295	13438.94985	16011.31985	14583.98308	15624.87867	19157.95385	NA	11441.18769	13004.01143	15588.99067	12711.96675	10814.00057	13101.70308	11888.70657	13623.01954	15367.26677	14662.00962	10341.174	15146.36	18418.70585	31968.05417	15649.63821	22461.36092	21667.27015	25693.23958	96956.367	33498.73538	34892.85577	32257.75962	32376.91677	31363.11477	34892.01923	29708.58077	28923.47457	29287.23792	27178.416	31452.001	25861.24167	23150.80333	29681.88954	30201.28031	21814.07631	25890.24892	25916.48985	26009.73969	21881.52723	22038.62954	18722.432	16810.11292	21298.30215	22252.36985	24196.03846	16438.95562	16624.22385	16149.56885	14892.905	14274.76458	14722.82492	13409.09625	14662.84615	16316.85523	13018.67	18549.44669
C269	"13(S)-HODE;13(S)-Hydroxyoctadeca-9Z,11E-dienoic acid*"	296.2351	C18H32O3	Lipids	Free fatty acids	10219-69-9	1	1376735.841	1796762.519	215673.0889	222974.006	156388.9196	1868939.477	338897.2156	1084172.417	734941.161	1171838.563	939485.1448	720299.9213	1073709.713	338461.4208	341115.0107	2493416.331	214248.6997	810742.5148	519325.1154	271152.0581	206371.7227	917363.653	1141679.83	675253.6181	252720.3798	348236.4051	1741739.469	676261.8971	770761.648	394008.471	1105040.039	927630.4615	764751.7154	400563.547	270003.6225	203783.4492	320254.12	285320.4482	903194.6051	196431.0693	642141.4236	1323972.477	216258.6881	639924.714	1001215.306	196508.2979	435540.0337	1984760.274	1002957.498	638250.1613	373219.6011	409241.057	629248.065	768072.416	598707.1122	1111553.016	1118465.876	507137.284	1323515.634	290097.3316	279741.483	1225455.09	1654555.161	429549.663	354726.1323	1235989.874	778212.7425	698980.6587	392708.4394	322340.7697	1004108.849	551682.3603	691307.7517	462499.411	198547.3134	296010.8103	293207.5957	502878.1951	183124.5207	791564.655	1428171.586	592951.5643	226784.6397	328212.751	241126.5682	784885.9954	287825.1087	172915.6348	164685.7363	879204.3	332696.5187	198266.2164	147091.1917	199529.4178	183807.9402	162861.0333	187411.8813	596228.4266	608780.0957	515138.0152	350324.755	456879.4277	726634.8774	214665.0717	474307.1625	270960.1527	739361.4573	410378.9538	229405.8607	182607.3913	294562.7609	163406.7181	365953.167	228261.175	1352479.345	374893.6043	247982.604	396439.423	1598044.172	745002.027	587044.3935	387976.1735	205446.1133	219509.8619	370927.4459	332868.9858	3987486.471	355955.5603	509056.5627	340405.5897	359964.5317	438721.7673	334239.2112	148636.506	867513.0897	174011.04	341061.3568	2129174.586	246535.6673	415001.0166	462159.0822	313700.9647	818534.3969	161321.1372	296794.0511	623371.922	246233.6392	161763.482	185300.9464	1059120.689	364779.9477	195072.9587	359146.4151	4395465.816	322953.8647	297305.268	209279.9961	290497.7367	836367.4858	155313.4902	360430.3654	220982.6033	173106.1281	565850.6886	232877.0103	304170.5809	219193.8647	276015.9621	952287.492	178696.5471	798960.3647	848285.7574	537616.971	161682.0215	199552.6943	764283.6709	219239.338	2013087.182	307901.6742	1683289.481	410956.6914	696066.273	806894.7796	321755.8456	2866178.522	277730.667	238814.7131	919393.9656	213759.9043	375205.964	197882.4253	200270.9446	4448980.93	162158.0413	155547.9466	1080067.623	437940.7377	270801.5168	173422.7057	197353.4136	293259.6443	526328.6246	645149.4167	309485.9591	344473.0674	525319.6777	217776.9124	214572.1999	345925.3285	288739.1703	721481.0328	254142.5325	320203.36	361827.2016	1539057.575
C270	"13(s)-hydroperoxy-(9z,11e,15z)-octadecatrienoic acid"	310.2144	C18H30O4	Lipids	Free fatty acids	67597-26-6	1	338590.6308	469120.1731	242157.0244	256145.8516	212525.8407	615400.173	296943.1519	462714.1185	327714.894	441257.0611	497713.984	272152.9492	365085.7319	259887.2941	358464.5827	493306.7726	266587.4992	339875.1941	466973.2144	260286.0409	260474.9692	379086.1989	389131.2533	331373.2123	242963.4179	174839.8575	396754.8336	336347.3173	305032.0941	373216.8024	705151.3229	376725.3851	391056.201	321203.6937	235350.6482	260085.4007	300233.9328	268175.8559	324229.4537	247559.6454	314971.8634	671934.7266	228003.3121	313874.2652	435609.6463	230388.0934	423062.0589	660532.3614	397229.1459	309662.4295	319430.0023	239750.7407	281353.7197	314922.4743	341206.5858	474501.4863	385275.6762	238007.6874	458587.9409	263753.8492	575190.5552	472291.8957	602418.8176	280983.9848	264604.2268	461702.2757	351705.9711	204815.4984	249405.289	325877.9565	616111.557	367061.3479	475544.8133	342120.492	254887.4775	310332.827	283037.6362	342656.7235	262758.7662	541802.9897	812320.546	371982.964	324212.2123	362120.1063	317711.3517	579306.6983	291549.7195	255251.6723	235694.9089	399268.2225	246692.6087	253002.1914	213457.023	278256.7492	221328.8537	332412.3903	341281.0987	543861.9728	437506.6212	476388.0538	332886.7312	532531.2243	468963.7596	362489.3846	526903.9725	293811.3158	471267.9083	411868.4617	360393.8258	309712.2646	363313.8717	295531.9096	380609.487	388231.2099	730812.31	428190.91	461106.3043	387619.26	902216.0312	488918.7122	576293.0375	458800.9973	329238.3655	352899.563	547037.7727	538160.5308	850791.2215	340589.3391	320311.0272	591303.7687	419978.3929	413704.7834	399798.8962	294951.6281	561759.0351	342258.292	431246.458	645123.8622	406088.352	491139.202	423704.5348	493900.1783	566565.041	384757.1046	428558.485	454543.552	311102.0928	341446.9989	271864.0065	573722.1634	345519.5429	293430.3421	425190.546	583720.508	327384.9504	311729.856	334789.9558	407677.9322	438046.724	251647.8796	354600.9762	332060.3717	237146.5012	554712.7164	298647.0419	393248.5161	394416.2457	280030.7429	402233.1416	269743.9744	442866.886	482266.1399	340946.0903	256349.772	280953.4166	361044.5292	374613.3175	524946.5593	476005.3744	707607.8434	352255.4445	806501.6685	348163.03	372960.126	755652.1543	325466.5248	286593.828	406329.378	324013.0432	296472.654	235720.2083	294398.2007	638087.732	214963.563	218657.7847	433089.281	275560.0594	261161.8965	251418.5291	250643.0789	245229.5577	431892.5286	296973.864	305636.4688	313004.664	315408.1543	261531.6171	248082.7467	238202.5176	284937.3516	403907.1505	298647.9377	397113.6283	270614.2921	648451.2171
C271	"13-Hydroperoxy-9Z,11E-octadecadienoic acid"	312.2301	C18H32O4	Lipids	Free fatty acids	23017-93-8	2	133980.0938	250170.1032	101707.6667	155565.5203	76615.705	70239.47745	88925.15025	90785.08	71380.22508	101774.8637	54333.00708	217862.6125	126545.058	17951.768	46519.11933	502915.0387	64697.8975	270053.7	73129.12042	56185.86183	80893.72575	222232.6206	93899.09	705838.304	107010.7961	197169.2187	224230.2593	42392.56	50238.88333	202450.9597	448848.447	105479.5525	124137.394	94474.45	67814.79608	114111.0327	224953.597	43685.95	83075.922	51653.16182	113299.1183	78863.79545	58127.98327	48557.45442	56122.44	93484.91927	272316.1394	40358.12	89125.322	24313.92967	77469.40225	36928.34808	71676.79817	103796.6924	62892.38327	84309.10273	89246.12633	27786.52091	246968.3685	159046.2555	232355.3744	56274.05	475562.7677	44775.18367	73316.774	66414.35567	46080.61408	74518.944	57312.85	79405.974	107306.875	147599.22	38636.50933	183832.6207	47615.18018	230576.3655	85672.07091	98253.009	77110.558	148872.9378	239463.3095	70920.3375	49089.141	88425.129	76220.355	302738.9767	136411.1203	198613.3998	133796.9227	156593.6427	95988.456	82938.89533	94781.06036	241830.9643	34425.82325	114645.8387	128968.3375	133629.3504	168536.5813	278188.5488	115662.295	213975.5131	255288.3767	105148.474	188048.8021	63429.70783	129592.5787	229078.219	206020.8147	116724.9655	170053.6464	61049.20433	125992.75	111836.295	457355.5405	223587.1295	216972.6884	131003.2571	245513.0413	120003.1285	138199.0009	167312.7623	121330.3387	68185.25	248067.1987	151958.6933	262889.3807	113471.3747	84787.81145	128354.0472	152029.758	109976.393	92976.42933	140902.3393	174073.987	109653.216	202065.0463	181092.8603	144796.3232	99695.56055	116146.6281	108165.615	137082.785	85673.976	143910.516	162080.4499	114110.2105	115596.8385	106793.1297	313030.5547	154705.5153	106840.0137	192570.3485	349364.5965	61735.52962	70706.54967	83470.35717	67057.6025	145288.4079	76337.86473	160490.5004	258530.0873	139509.6723	218471.6403	57767.7825	127397.5937	201373.6553	230099.2623	54251.43583	105039.0567	157394.2342	NA	129915.7375	164982.885	58672.82925	229336.176	127773.943	254688.7467	122971.5004	190609.4657	152345.4733	95964.7975	270265.0322	73567.62567	287874.8267	68511.83833	60176.5675	262296.6372	75190.11267	163917.182	36786.25933	115287.1807	154638.961	79939.58145	79349.34075	NA	105032.7655	174073.987	115246.1932	36363.69082	50226.47533	72136.98333	70276.58067	75493.48333	214833.761	93821.7525	130433.01	73801.29417	57513.24233	46207.677	162382.0587	56825.70033	49514.347	73240.296	113430.3913
C272	"13-Hydroxy-6,9,11-octadecatrienoic acid"	294.2195	C18H30O3	Lipids	Free fatty acids	74784-20-6	3	72927.36667	67364.01955	73824.20627	67719.61764	69448.03036	71028.06025	69417.79291	66526.7855	69996.97467	67774.15667	64175.3785	67607.33	71581.3875	66665.49225	69729.90267	69278.8275	67957.38367	63942.83845	65379.495	63980.41109	67863.18067	60341.598	63931.99042	66664.13867	66265.77567	63898.90973	64382.12573	67295.613	65429	68267.14083	69644.82382	64156.10855	70221.90091	68084.81333	65020.25508	67374.476	70882.86227	66834.57964	68323.86982	71575.66564	66569.20327	63722.27964	69533.76791	64169.612	63952.38	69470.92767	65337.7375	65465.41508	64688.71164	65868.24364	54308.92971	69609.8025	67982.451	59589.80491	67587.09245	62839.29273	61107.50636	63322.46073	69347.372	60387.01527	65341.15127	63152.12136	66350.49655	64600.85418	65196.70218	62212.01133	68794.06418	65982.05918	69242.12533	60906.62073	62122.705	61965.13055	67581.29382	62715.41891	60861.78127	70125.33183	62625.89182	65147.94867	68836.95382	64726.21018	67942.44673	65772.62618	65612.13009	64149.06433	63559.69709	59162.14691	60379.52836	59285.82164	64952.284	64113.50018	68238.32909	61176.24382	54979.84743	55101.39612	56818.45236	61966.96091	64309.62882	68896.818	65341.15127	67302.93036	66050.50218	63144.93309	59203.06787	73163.29527	58015.20582	64896.58255	67675.86509	63503.55118	59413.19236	63498.15818	67130.49382	70083.15236	67843.00982	63592.32382	68618.95733	60290.76455	62999.35473	64977.71309	62128.56992	61388.87364	71933.562	62254.98909	65472.00927	60292.59473	63863.7665	66554.83445	69060.31127	66665.50436	65787.845	64054.5855	64388.52109	63584.17673	63898.90973	59948.06982	61088.38636	64243.04218	60649.596	63362.59364	68384.60182	61151.61783	63489.49973	62925.31127	70760.161	66063.21458	72015.82436	65227.50255	66043.94109	63078.609	64111.26909	61764.99333	62406.24818	66187.71933	64432.45418	64002.76167	64638.36145	62848.51782	64521.23564	64200.03291	66877.58891	66772.3225	68841.51733	62076.5075	63472.953	74430.53	66929.07673	62815.713	62800.69155	66231.53533	66658.88218	67513.15108	70317.434	69533.6	63570.489	64141.761	59498.4825	61526.75845	66012.45533	66115.156	60055.305	57178.72964	68045.13375	61807.82909	69559.03225	66795.82	67297.18255	64173.09617	64142.815	60342.51318	62659.97092	66526.89333	67996.748	67297.18255	70389.70782	66971.71636	68546.71473	68517.92	72809.467	68646.76875	68782.07333	71625.61583	65914.6425	70310.89067	62574.37608	63452.40364	62575.06691	67242.87	69557.6475	71706.14027	68032.37583	64908.35527	67289.26167	71794.34167	65204.11036	67502.19933	69085.88167
C273	13-methylmyristic acid	242.2246	C15H30O2	Lipids	Free fatty acids	2485-71-4	1	326149.436	347311.223	135262.95	152811.6178	130762.485	454365.692	630064.9831	288630.2982	319854.4932	377739.506	300565.3856	545494.6844	241255.381	314530.1775	176090.332	423489.1808	183734.6143	260258.1377	269179.47	168542.777	403657.812	237489.3625	571210.4088	245840.412	174147.8514	501680.5147	473042.8714	258228.443	301505.1094	495636.0949	347974.053	300185.666	235026.649	255849.7911	169463.0234	241477.4957	209967.2496	201338.3348	343721.7792	154508.7549	217808.8566	411291.8635	369220.5518	534056.8984	308702.262	438924.2345	198367.9136	485810.325	408686.4826	296850.0194	262482.7733	226752.8516	308847.344	361703.76	300930.278	332759.076	331295.1363	328568.9668	424343.706	179612.664	331916.1463	517461.01	533905.6382	303700.56	229256.126	543054.014	445883.36	382799.761	216609.173	244583.208	434611.87	288593.784	519876.28	418853.475	251153.518	254476.838	188587.1167	229477.072	249604.3738	356412.8517	302082.484	342305.796	232987.2417	279299.482	224469.267	296924.32	220628.4145	154729.89	222231.6	275087.813	259689.9435	173278.6183	166117.0184	206207.925	209609.9133	229141.731	221897.346	273123.851	217420.907	335785.9296	228933.426	317640.004	321186.096	231273.185	345250.4258	223892.251	286976.8148	229166.652	224202.671	205098.146	286490.319	312492.354	225931.893	316674.672	384661.905	229434.161	206162.704	204787.726	302423.2543	361748.3805	376815.186	229281.85	260035.173	219475.893	287277.276	223827.835	592802.19	212854.994	318215.5698	222936.5003	216623.858	390436.1952	301552.3394	211335.3968	301226.248	233351.7064	212581.149	288691.2	162029.445	230607.744	245043.2952	221084.512	276522.714	320503.6964	177114.3725	215601.0805	181298.7022	198061.2728	474211.2094	248039.8542	214955.08	146705.3918	195765.0598	324904.4208	228163.782	183384.8437	177265.564	268701.0128	242271.546	141289.8168	194232.478	144511.5078	107858.8962	243081.2344	190399.82	168405.6465	221801.6552	202878.6343	287345.52	138470.0306	256125.8172	240268.856	199602.8848	135233.428	261592.9616	317771.7	154371.5357	234066.7175	203824.5768	237059.1762	181520.0772	305587.4316	247756.795	712393.1719	436043.6903	139858.2614	120704.1792	217682.1482	132376.9989	178658.667	132758.3232	222918.894	222385.68	124637.022	161647.772	235603.8144	178613.4988	168358.122	132741.9654	132160.3096	147631.562	351847.8229	678983.2956	247827.0897	142503.9493	228324.161	181775.1137	214193.4429	378082.7735	178428.206	659331.7568	240439.056	272004.0557	177158.04	334310.4204
C274	"13S-Hydroperoxy-9Z,11E-octadecadienoic acid"	312.2301	C18H32O4	Lipids	Free fatty acids	33964-75-9	3	2992155.532	4422960.912	360726.102	293296.1777	171654.9862	6535087.82	565642.8855	2664723.443	NA	4814455.119	3655449.681	1894657.325	2656035.402	NA	672021.91	9409897.377	NA	NA	NA	NA	NA	NA	2333725.326	1267186.55	463063.44	NA	4934449.747	2456809.624	2386330.284	NA	2597299.748	1991894.001	2551953.148	NA	NA	NA	NA	NA	3290201.567	NA	1683485.251	NA	344056.0048	1703752.582	2647192.52	NA	NA	5729765.624	2767079.291	1129725.002	564836.4688	555030.3116	1726886.238	1613565.445	1131767.329	1891880.263	2156753.811	NA	3044479.079	434273.4691	NA	3534393.414	6591980.328	820234.135	508178.7959	2754686.922	2303196.68	1306902.673	708271.025	429860.8794	1367856.049	996419.064	844506.593	856624.6401	291294.0189	NA	237160.535	445477.146	NA	NA	895989.072	NA	NA	NA	174108.8113	995582.577	257693.5359	197069.1917	184468.2257	1308120.516	496046.103	NA	NA	NA	318997.6543	138674.096	NA	NA	757720.831	NA	405117.142	NA	464284.4143	NA	NA	257374.215	1017890.928	NA	240892.7953	186515.8284	NA	150468.0394	257784.384	237308.4643	3177175.553	421917.125	420792.5125	NA	2788069.536	NA	NA	232841.775	NA	NA	216203.334	299869.6114	13399386.83	NA	763729.3263	NA	NA	897040.809	575981.945	NA	NA	238545.545	NA	4056056.484	NA	413897.8473	501600.195	NA	NA	NA	NA	NA	NA	NA	NA	618388.7569	NA	NA	NA	5855013.856	371908.704	NA	NA	NA	NA	165415.911	625885.169	216257.6446	259594.454	NA	245725.1871	NA	NA	306368.51	1775440.937	202547.6869	1594764.248	1917449.686	1374609.526	NA	319436.32	1415474.531	NA	4266983	258030.738	487789.225	283792.6991	206395.9419	2451138.673	NA	9514410.841	NA	NA	2889548.92	NA	855978.0833	345578.1656	NA	2415124.016	181187.27	NA	1040770.436	1177808.151	NA	NA	236005.042	530509.7658	1593137.317	1738627.703	NA	NA	NA	320105.8234	301509.936	1183564.813	385397.516	2518184.975	NA	373646.4023	NA	6937157.586
C275	"14,15-Dehydrocrepenynic acid"	276.2089	C18H28O2	Lipids	Free fatty acids	4154-44-3	3	1294934.998	1130736.51	542458.7	93239.63	76935.46885	1959003.611	367934.6668	478626.8978	1316996.841	803196.6614	1127253.049	360176.1363	772230.9825	448785.4992	496119.393	742153.503	191673.992	578071.6343	580500.1795	545877.13	162787.864	1097107.64	1142303.385	975765.8206	498840.4489	549879.055	515702.2798	526118.0384	1764840.248	679377.0843	647237.4462	679866.5662	818981.751	419594.4594	149011.6472	270609.659	570565.7031	544408.2097	943204.7003	145668.5112	638515.686	1258158.234	231551.1825	496515.1326	516063.3848	214340.2609	115687.6987	931465.3315	154632.036	365084.6131	364566.9849	197899.2321	680651.0869	489941.58	457603.0629	870065.584	469535.2006	758913.2481	575986.9491	324629.3977	578654.1139	861611.7315	1295114.228	904878.5954	785974.574	1633018.019	1170196.294	852603.826	628368.0185	155425.0091	324559.3958	267107.706	463921.845	548076.9572	345834.468	134898.8357	214472.544	221644.0643	126483.7452	338300.5009	605021.5258	268763.8443	155741.0027	211272.795	117080.5523	445794.0189	324837.9759	101792.6202	91949.824	340343.6004	681252.2931	212146.7995	139849.5208	226148.6798	281592.532	128041.2865	162296.8779	435079.359	333737.558	322142.3519	295617.8615	188855.9067	363111.5868	249742.3096	377502.7323	235332.5192	337080.3708	123194.5034	176243.6133	132290.598	355711.6246	88179.11723	210154.032	168657.7103	692246.7155	157733.0837	294501.814	928115.4638	666772.5681	817864.3892	287802.7253	330952.0246	127334.697	132950.556	106924.9862	161096.6689	1709759.7	225137.539	300397.5065	423366.4578	214878.3465	458147.9269	629139.129	98608.80154	314893.0475	211836.9083	172176.8031	852856.0192	188029.8992	204140.0631	148832.969	198930.416	404374.4889	135226.8718	157492.1166	688409.4646	109507.3068	137913.411	176979.3388	521722.5785	240834.5689	133262.1369	486101.4588	2171560.149	352898.8195	188804.3146	118773.884	289897.4662	728123.8299	75552.64827	332392.554	99443.87444	111205.4364	295708.8077	124050.5601	236780.1331	97452.46585	253235.9154	1524030.678	93413.51615	363332.5942	305865.3766	381948.2768	118924.6638	273801.6875	394444.3069	149212.7666	895395.3509	111990.9696	464391.9343	127884.6712	220062.3337	512809.5657	459102.1365	1425704.016	118276.4403	175208.715	330870.6143	337673.28	365961.8414	390086.2825	207071.7367	1085827.762	137010.0637	153324.003	289676.4752	282446.0613	119697.4743	124835.3975	138876.523	232852.3136	337066.3623	627091.4435	565949.0092	287709.9013	612391.0915	265189.7675	236646.63	228783.9569	434910.166	645183.525	308648.2915	266081.824	446918.0269	669698.3541
C276	15(R)-Hydroxylinoleic Acid	296.2344	C18H32O3	Lipids	Free fatty acids	177931-23-6	3	144795.449	168179.5085	85964.0205	64635.6465	47079.91	137689.1427	94472.95	113546.4462	91876.72	299188.6	192260.68	543465.0925	126281.848	63119.55167	71945.872	453831.911	55495.25333	121313.1951	66709.62169	95281.70636	57040.38218	160521.735	262751.04	134764.36	84357.66	74274.815	207527.16	111570.426	175058.2373	96929.2075	153017.9931	95896.59675	173436.0198	125445.68	62613.27233	112906.6131	85643.065	95349.56683	203051.7762	34123.77125	115208.126	120718.836	81672.63508	531780.4727	99215.914	79327.53736	92924.54769	234424.8976	149842.9286	98226.14092	83350.3325	113159.2067	90369.94583	134908.119	113557.99	222578.673	135459.4061	77160.16677	197015.715	80759.766	99454.496	206679.0443	203691.68	81268.23625	116201.6998	166369.352	79236.92385	85443.30683	66174.02683	65704.78417	125705.8259	87689.91323	144441.3647	49755.082	48935.34167	67499.396	61380.94418	81087.97983	38953.16246	62202.58638	103899.1345	60990.95625	52838.464	67868.75717	88416.04246	123496.6279	73079.6235	72429.66225	89730.117	266229.1017	74089.51933	50580.89183	75085.244	112685.9733	121331.992	48625.94767	60850.80875	57208.12392	51640.77675	80519.4	67503.70933	61062.3805	103242.344	43918.93617	53278.20333	59508.595	87057.67846	87904.35867	69807.92777	97914.3915	62428.12292	41750.58908	61955.83275	59600.8175	148425.3832	69852.73167	79142.15083	109823.7167	145931.32	82716.33333	85189.05231	86114.29333	102679.4376	52798.83662	78569.39067	82669.19067	426297.0552	48662.33615	45560.97815	57311.816	78120.1085	84127.88508	64268.5615	104425.2583	102238.838	59957.17	65256.752	304390.7104	87343.67925	64417.628	79531.35185	51300.729	71592.4905	41187.77917	57746.55033	86261.31433	60624.79083	44403.80354	56730.96692	102719.0732	75683.01167	72606.8985	78415.535	NA	63104.30969	79776.25983	46960.71083	80356.92717	112892.6951	37947.13983	52743.76	142328.5405	147434.4762	101919.2808	78903.8475	63341.784	80534.72083	44394.237	139248.021	115729.2185	93824.00908	151376.8583	86838.54075	64765.47	96207.15633	138765.2786	56600.23083	296958.9263	77249.6835	138990.891	84451.24862	79180.78638	215756.7537	88896.89033	357742	53070.864	63228.067	214222.0818	156815.4407	103212.656	90211.422	83944.6675	177272.403	79964.41917	42761.11517	98779.70769	107236.7557	75495.25183	68718.64242	40138.80415	72857.802	121996.9835	78381.74954	93850.02033	103785.657	129885.4018	68411.78208	72458.61225	78504.76923	67920.364	176554.8208	69137.72067	68702.4135	96231.10933	422658.408
C277	17-Hydroxylinolenic acid	294.2195	C18H30O3	Lipids	Free fatty acids	-	1	1099288.476	1676133.277	112541.3662	139745.087	62175.08654	1487678.648	236977.7127	1112579.745	527768.998	1440116.528	844255.7556	693206.655	926482.9541	162904.009	158661.273	2865406.996	107425.64	787667.0782	315107.8238	132850.4411	91903.771	626137.9665	1035869.043	407932.32	125588.3096	183479.8705	1963772.283	594528.374	516153.4211	176536.695	1034156.593	779979.1844	804824.906	308563.47	166561.4545	114704.1817	156825.4573	138544.755	886694.344	106157.4215	346263.665	1078483.817	124526.2063	519701.4095	945923.051	102392.4392	330885.621	2818985.201	1360001.445	445447.4998	303659.2118	303420.277	389208.5836	617746.716	426309.2596	897935.533	912765.9033	266634.885	1357245.218	186977.413	207563.8418	1357079.588	1703174.844	230842.3447	158090.0895	1084106.189	605452.8116	387502.0844	188937.617	413265.3447	766784.3891	495693.3035	609496.2185	289029.0473	84091.105	189360.84	136556.2532	280248.267	80781.47782	531194.7775	796641.5305	360479.2756	102365.7178	176478.5809	124669.9895	626867.2671	109348.837	92575.8925	95978.007	844149.5767	163584.5603	69050.341	76100.65431	110072.7748	114964.6638	70533.61008	78184.867	348915.375	352098.364	329456.696	174155.0225	217466.456	416576.145	82148.664	244933.674	133680.2253	634803.2931	270358.224	118935.618	110704.4111	125965.168	74743.813	169691.637	123930.431	1369542.625	310788.845	144029.089	150462.2646	1584067.819	563401.234	372721.855	235069.875	114929.035	103332.7498	192318.468	195513.483	4180998.447	182504.6313	347796.6027	221063.7125	184614.912	311957.284	167957.4087	102903.9383	503585.1578	NA	173297.213	1961556.135	128958.03	267748.698	395327.9488	151199.6182	402061.9433	67552.599	181769.12	317418.12	139440.0912	83440.55575	82008.416	566550.8979	207856.6183	102164.9363	165447.964	3629098.105	140291.2937	175787.2123	113071.2633	146612.143	753700.722	93870.6475	218637.931	139245.3871	NA	419400.8408	148714.6325	178451.3947	126988.0025	135367.9547	614365.2338	121521.4296	641144.7688	873698.3311	396161.5163	94658.01477	104575.2527	692287.4269	138021.7698	1398134.615	NA	1002892.039	257232.0424	385130.0837	699828.4125	161223.6796	3286658.008	150805.9438	178171.225	1118440.193	121851.972	290799.824	108477.4708	108267.6238	3628444.516	NA	84794.25833	NA	436668.9187	143523.3263	101777.0915	104652.6708	239379.2735	415608.4823	513324.8873	141255.7593	249193.0223	453447.714	NA	128067.286	240942.0693	124857.4708	640084.8333	115211.4563	155137.6328	314745.4205	1625164.73
C278	1-Monomyristin	302.2457	C17H34O4	Lipids	Free fatty acids	589-68-4	1	341426.6142	324005.6302	316878.2804	291233.9253	237668.9618	250533.9425	247564.1432	209515.0082	302079.0055	311321.8113	332442.761	276791.0149	251521.0004	256531.8699	247712.8093	217497.1735	267972.4522	314523.4047	307646.5	348001.8425	304248.8864	244152.47	239156.3629	256683.259	348608.4785	351562.211	342182.218	324843.8512	261437.4308	221854.6435	201359.445	195274.1299	268058.5575	375881.968	309857.968	319896.367	279513.0303	266482.034	241269.119	236523.7914	246609.36	203329.161	186102.1458	236392.4218	185624.5669	210745.4204	210719.4552	197201.5478	302240.1362	261268.2611	355800.4831	321569.2073	282974.8691	301793.87	249846.7025	358967.525	343226.9668	347951.6276	312805.2251	305210.3714	274319.0996	279397.0732	216713.693	297315.6022	313744.214	302032.29	270166.38	310204.937	258740.7189	222029.7387	187039.7716	195313.7084	184295.5069	196937.0071	180325.5951	207041.5827	176237.3747	196002.0364	206888.8222	212475.4864	299640.8243	279369.2725	269259.8117	263002.259	237268.3691	244759.6415	255308.534	271121.16	302384.187	254713.3205	235500.9409	264448.9436	212999.2786	201079.0575	222832.4555	242894.6755	309743.2596	288153.0327	274133.9864	290387.3742	262926.5629	234918.1784	220262.5778	255951.7246	223543.6997	219623.5024	231052.822	272128.3855	309215.7382	297734.8378	238648.9788	199926.1336	226953.4044	235535.1428	210600.1896	210222.9149	287851.8109	242035.43	267498.07	278635.7218	351480.6635	287004.4942	290330.6	247004.954	220776.003	192988.0004	174996.1776	188079.2493	198316.8507	179988.1309	194239.3721	217872.6541	179819.952	230139.8356	221253.4527	279248.41	310770.8545	282111.2076	263197.34	262667.2569	185981.1234	190100.928	168609.3615	205331.3684	173710.0204	169522.9881	180883.5185	181167.1553	209654.0627	230355.8395	230254.9175	260364.7556	266019.8011	316384.8125	322802.628	305088.125	274819.6604	236997.0589	190433.845	209653.1486	222865.248	194830.5905	218102.7941	226503.4571	243824.9673	218185.8535	213965.444	222028.82	223605.1055	177195.0542	250589.3297	277607.7098	249517.2855	238668.3469	235059.3612	231922.7265	239691.0393	203702.0843	197528.114	181282.8271	216615.63	225504.266	233981.72	279400.8232	219999.304	278139.2992	280896.2264	272359.536	261662.9618	224380.5136	268160.06	299998.384	266609.4062	315085.8531	269548.3945	315839.6705	247099.1778	276639.643	283718.3364	224453.7826	349276.6813	286077.2637	277231.3797	285529.5428	290259.0044	279639.6643	297809.2215	291216.4111	323305.1843	303465.0017	278894.931	297453.3632	346329.4004	268327.3793	270858.4505
C279	1-Octadecanol	270.2923	C18H38O	Lipids	Free fatty acids	112-92-5	3	198361.1923	199716.3415	203804.4772	199028.6178	206819.4138	209475.1591	211865.0138	204840.909	208006.6138	196753.9642	208003.3567	196728.0257	207611.447	193483.4832	200885.5482	198763.6304	203734.4962	204154.7532	205558.3417	218468.1799	204497.5944	200339.2623	194424.6951	195550.5447	196582.017	208920.5704	209319.4902	213190.2781	208588.2181	197867.6767	202705.8722	203573.9395	201039.0222	193352.4732	196694.0607	206141.5063	200587.8207	210120.3831	210745.1704	206576.7605	205049.7197	206476.7122	204581.5831	202291.2453	211907.3884	200048.8562	200461.3126	199355.2431	211818.0115	203861.4522	122134.2793	135976.8679	147411.32	147481.3122	168748.5644	161750.9597	177120.5512	177556.9108	179157.8202	174696.3177	152813.0482	155007.7049	159712.8055	172660.7922	160563.1974	160067.332	173923.8999	177404.7522	179537.6534	179483.6904	148912.2599	156851.7196	146921.9015	149772.1664	147660.4447	148139.3556	145009.1144	147514.0672	155247.4756	166716.724	142693.1195	145669.5995	140780.054	145613.1039	152999.5265	160958.4271	159164.2813	169468.8694	159901.5227	162009.7298	151549.949	163424.1256	152319.5771	146038.7972	156161.453	163938.0863	165257.3395	173364.8125	180482.1205	172780.7478	161819.0232	154503.6041	166711.125	171573.9499	174825.1575	168044.0013	172671.8504	175516.071	175992.0065	173638.7841	154741.0085	165569.5681	153912.7496	158368.526	151185.7407	162955.2556	161519.674	173002.1374	163421.6813	168872.1599	166244.6929	163521.4751	160989.9387	166945.4223	166891.5379	167166.2599	162730.4585	175245.4975	171840.236	184012.3029	174354.2046	173123.985	178267.6591	181204.8924	180982.5416	187018.2223	186634.8722	174251.5856	181542.7269	185842.234	191024.4481	191458.569	189458.1704	198875.9659	204712.9322	198242.7153	201964.974	206467.1771	200825.9813	200505.1532	197950.0593	204990.7605	205439.531	212558.1503	207609.533	206145.7085	204016.2667	211090.0076	207076.7016	217901.5799	200737.4005	207538.9278	211828.9041	202607.0255	206384.2135	204270.8768	197816.6549	212825.3181	188559.6907	192675.1023	206576.1912	195593.4098	196978.2566	197379.8935	189756.7413	186791.0557	198611.9093	183739.371	206396.4362	198708.0017	188902.4318	197665.9427	197882.5881	188838.3506	183483.0532	207085.4926	199797.7839	195351.7843	188418.7013	177003.5169	189853.185	179792.9382	172382.0515	179440.7868	181635.7685	186305.2597	188763.8135	194102.6067	180170.7959	194461.1944	197086.764	175240.9663	194740.863	185138.6006	187955.4652	178705.2705	184667.6019	182669.6142	192136.7244	194941.5227	195949.2111	199565.3485	196242.0843	199775.454	195339.3716
C280	2R-Hydroxyoctadecanoic Acid	300.2664	C18H36O3	Lipids	Free fatty acids	26633-48-7	2	72667.33477	114685.4211	53380.50308	149654.2888	50652.85	87060.015	105338.3998	67422.20114	67237.09946	78097.96246	75013.68423	55972.42892	46764.603	43989.88585	94777.77623	82581.92585	57288.58014	53002.78823	49113.86954	83253.50493	83575.224	101126.0549	NA	88122.42364	64174.74707	97744.70577	106356.6877	59619.46743	67521.07654	104789.9631	160724.7369	62417.60686	56112.40821	110909.2371	55713.86043	59683.273	94488.88131	74184.42462	70517.43508	49663.31223	67530.63585	99217.83877	45806.378	59642.48686	47232.77515	62721.83077	57822.49415	108966.081	109550.0042	49524.64569	69404.34	49598.78125	57915.39417	70205.66667	60674.7155	78111.21115	82696.76625	87518.83233	103969.4777	55219.93777	95590.208	71725.28533	74168.45	48772.85625	54637.44183	107334.8064	61727.04817	88091.035	49287.51742	62034.18554	73426.95933	62995.31	87499.37717	108104.867	51262.59475	62629.7	50812.525	46803.42975	45587.24625	51940.95	134297.7459	85432.11517	52494.15	84694	70314.39792	78189.441	60180.90567	65879.00625	73697.9125	63357.9545	39288.795	55105.22275	39336.87875	52937.70658	67092.3375	77234.81167	73008.735	95918.19533	108791.5	125388.1593	79512.7815	103421.2	116178.69	119419.4925	113478.9673	87290.17033	83642.406	111333.9838	169667.2771	134920.062	98065.87173	78637.188	82853.98125	99845.45175	122888.1279	87153.05	89454.04717	112158.2948	183270.5739	117052.4625	132531.7296	108857.7263	87745.93125	79574.49736	132437.65	78352.94867	150780.1697	80877.78417	67903.93058	89691.991	107310.265	121571.947	105934.3578	70539.64615	94908.45	82994.218	97765.766	193784.3997	107496.1902	115879.5222	86600.92154	99568.67746	112397.1096	104335.707	106382.8917	72219.07631	90815.23333	87936.855	79558.5605	135614.4222	78029.78292	73056.07885	90606.6	131904.5603	87493.36123	80422.64123	84632.481	107599.4116	82913.39585	56320.35567	76173.50585	85820.48031	56198.31138	84986.4525	78734.00769	65593.24286	97385.15331	75807.36115	96048.86954	54610.27923	106599.4377	84842.81723	61264.26138	59021.16185	85497.50569	86345.76817	113162.5378	114432.7932	NA	104268.8188	64752.72515	87745.07692	NA	89566.71015	119201.5165	50445.43754	88938.283	68637.27692	97529.25062	60044.25192	80551.856	NA	98937.902	NA	64261.95	98888.34667	53313.75075	63116.689	64377.46583	NA	54600.352	135612.8115	92489.14483	76676.058	63122.82723	52212.85875	NA	56839.47985	57364.486	64161.33231	62142.28846	68087.88	237149.1954	58983.13577	124822.449
C281	3-Hydroxy-palmitic acid methyl ester	286.2508	C17H34O3	Lipids	Free fatty acids	51883-36-4	3	37621.7325	67083.30092	31894.08367	71569.22746	25038.01667	44812.4735	46775.916	38831.414	36802.53958	41573.67233	39270.54462	29718.40883	31228.8475	27978.9125	50674.635	49689.03915	27597.52177	25135.97538	28761.853	42226.01625	46039.258	53269.46625	31513.68	48794.29869	27583.53383	54935.46708	59804.436	28836.3075	43122.95838	39659.19369	114171.9318	37208.49917	36783.60133	59710.862	29511.37292	32058.2625	51651.88431	34683.53125	36119.2385	26406.51267	35863.32062	48277.147	23048.7535	26778.125	23189.3475	33609.673	34486.70633	46074.40527	56355.15938	26306.89846	37788.10255	28647.573	28542.50654	31187.56473	29719.35767	39541.17333	45948.91125	44025.26655	49939.50667	25793.63773	56392.92345	36867.084	34287.80909	25911.6895	31599.94533	43782.32767	28965.984	37830.09955	26444.57292	37796.085	43631.874	34899.63417	47288.54625	73724.89875	31555.425	32989.603	25539.19545	28933.52917	22343.29167	35765.8255	77035.344	49451.3	35962.62218	47186.298	34148.946	65230.74514	33203.12167	35107.826	37663.83055	38085.451	22262.148	28366.88145	22349.46445	39214.38346	41014.26967	32117.747	41447.835	54767.72455	73546.88336	72492.90709	48291.91091	63865.94936	69089.736	62118.11236	59134.00582	48009.47236	41316.3915	56190.5555	145073.1206	77655.62292	49407.14464	47356.28745	41900.71875	52335.787	68860.73127	50403.312	49606.24167	67499.0545	126170.8593	70624.47827	76571.957	77612.58154	55863.34875	43721.63125	93812.69792	54933.87273	77535.78527	41523.0815	41699.42473	66459.13855	57559.81458	62198.136	63009.3165	43773.4275	66838.76836	50062.87917	65912.528	115176.6713	NA	68083.14792	46829.77292	51510.77708	63644.5485	57639.2645	57768.40208	38703.19636	64729.775	45113.0625	47250.00233	120434.2945	49844.45046	36364.94523	56110.97708	68453.849	43480.26375	41331.269	42530.26575	52931.80533	43188.01967	30142.74585	41941.12083	48151.254	36761.19792	62583.50769	38666.44718	37134.2125	69048.49933	34151.205	56148.278	25615.4675	79264.6755	51847.31	32704.15867	34525.96125	54504.11662	38796.84617	77976.91418	79896.322	51838.62875	79148.96655	40653.1045	71331.18873	45486.152	48086.87333	66499.47533	29885.4035	55114.88183	39082.90833	57970.01209	37331.415	45243.21983	60047.33625	63866.91127	36364.29067	35490.84	75606.02925	29841.03375	36709.25167	31914.82708	25195.95375	26666.45617	77533.7475	41416.92517	43522.00875	31645.48933	31807.7925	32639.82533	29898.31038	29170.2675	37395.15033	32556.07117	33280.481	126063.2587	32904.54875	69362.3455
C282	"5S,8R-DiHODE; (5S,8R,9Z,12Z)-5,8-Dihydroxyoctadeca-9,12-dienoate"	312.2301	C18H32O4	Lipids	Free fatty acids	-	3	40771.377	40373.34967	65400.31882	NA	NA	101642.4731	37094.67267	13527.69345	160992.5123	34020.602	41025.85667	72409.12686	23817.07625	37152.53169	101863.7661	15702.782	14802.56	114645.9006	57287.552	27845.586	21293.86653	159246.0289	33426.984	173432.9417	23880.57092	43786.4064	31590.87725	43926.48333	85995.833	273747.2926	63432.57921	153554.3017	79871.50993	10470.685	NA	33591.4995	35222.71771	47806.61908	44949.4188	13820.745	50838.38971	NA	12720.4	23861.74171	37683.22	15791.26333	NA	37176.1875	8659.594667	18173.675	58441.54008	19625.07077	101031.3629	44153.61017	70776.43815	34952.79754	51405.9065	35242.368	44281.14933	18742.348	2788.8	34420.793	85376.5	34410.45067	42051.07692	24668.9915	84761.5988	53788.99762	18409.70057	2994.083333	56738.418	47781.916	20527.46727	23234.13511	23396.352	NA	8976.487	5614.639333	4921.4868	NA	NA	8070.768	NA	NA	NA	19749.83067	16712.90585	9252.461	27397.27083	10374.7712	12093.64082	17600.4375	8035.996667	19923.7224	10038.3036	NA	12030.60343	6357.3225	NA	7926.565625	NA	6391.058667	13113.66333	16214.16109	11715.8592	10529.23295	NA	NA	14529.9765	7581.4375	4030.81875	12975.92164	NA	7512.985667	18200.86262	NA	58262.35675	16599.47143	34023.47314	8485.644	18887.2984	19713.96257	9591.8076	4820.769333	5775.130333	13613.0345	93259.75933	4315.83	34612.3125	6898.7972	11940.61462	40524.32185	22902.31775	15915.59054	50449.8216	19956.50367	5767.8435	26632.52835	10604.6892	NA	4302.571	20539.66667	8276.8	13229.55657	NA	45287.10257	NA	18262.10676	20512.396	11057.235	2634.276667	11719.94831	80976.078	25942.30457	43862.23281	3331.854167	4450.308	35027.636	19333.743	1675.162	78324.52564	6247.816667	5234.6574	NA	NA	3639.759333	NA	58103.37212	49175.97538	8446.819286	3873.501	NA	51268.275	3618.2672	82958.63738	92596.2275	6988.37825	74473.07679	NA	NA	NA	NA	125493.0432	136900.0862	81160.956	6803.8986	6010.54875	55212.22479	5508.735	81537.12823	20329.20415	8166.34925	9805.0898	18627.2976	NA	NA	1684.568	3695.8735	12558.111	NA	11351.45987	35540.90375	60647.11843	67728.55067	63918.78667	34816.726	105327.6206	30109.01825	20192.52	83967.69092	232648.4608	61780.8675	63305.21329	18870.06475	52319.86154
C283	"7S,8S-DiHODE; (9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoic acid"	312.2301	C18H32O4	Lipids	Free fatty acids	143288-65-7	2	133980.0938	250170.1032	101707.6667	155565.5203	76615.705	70239.47745	88925.15025	90785.08	71380.22508	101774.8637	54333.00708	217862.6125	126545.058	17951.768	46519.11933	502915.0387	64697.8975	270053.7	73129.12042	56185.86183	80893.72575	222232.6206	93899.09	705838.304	107010.7961	197169.2187	224230.2593	42392.56	50238.88333	202450.9597	448848.447	105479.5525	124137.394	94474.45	67814.79608	114111.0327	224953.597	43685.95	83075.922	51653.16182	113299.1183	78863.79545	58127.98327	48557.45442	56122.44	93484.91927	272316.1394	40358.12	89125.322	24313.92967	77469.40225	36928.34808	71676.79817	103796.6924	62892.38327	84309.10273	89246.12633	27786.52091	246968.3685	159046.2555	232355.3744	56274.05	475562.7677	44775.18367	73316.774	66414.35567	46080.61408	74518.944	57312.85	79405.974	107306.875	147599.22	38636.50933	183832.6207	47615.18018	230576.3655	85672.07091	98253.009	77110.558	148872.9378	239463.3095	70920.3375	49089.141	88425.129	76220.355	302738.9767	136411.1203	198613.3998	133796.9227	156593.6427	95988.456	82938.89533	94781.06036	241830.9643	34425.82325	114645.8387	128968.3375	133629.3504	168536.5813	278188.5488	115662.295	213975.5131	255288.3767	105148.474	188048.8021	63429.70783	129592.5787	229078.219	206020.8147	116724.9655	170053.6464	61049.20433	125992.75	111836.295	457355.5405	223587.1295	216972.6884	131003.2571	245513.0413	120003.1285	138199.0009	167312.7623	121330.3387	68185.25	248067.1987	151958.6933	262889.3807	113471.3747	84787.81145	128354.0472	152029.758	109976.393	92976.42933	140902.3393	174073.987	109653.216	202065.0463	181092.8603	144796.3232	99695.56055	116146.6281	108165.615	137082.785	85673.976	143910.516	162080.4499	114110.2105	115596.8385	106793.1297	313030.5547	154705.5153	106840.0137	192570.3485	349364.5965	61735.52962	70706.54967	83470.35717	67057.6025	145288.4079	76337.86473	160490.5004	258530.0873	139509.6723	218471.6403	57767.7825	127397.5937	201373.6553	230099.2623	54251.43583	105039.0567	157394.2342	NA	129915.7375	164982.885	58672.82925	229336.176	127773.943	254688.7467	122971.5004	190609.4657	152345.4733	95964.7975	270265.0322	73567.62567	287874.8267	68511.83833	60176.5675	262296.6372	75190.11267	163917.182	36786.25933	115287.1807	154638.961	79939.58145	79349.34075	NA	105032.7655	174073.987	115246.1932	36363.69082	50226.47533	72136.98333	70276.58067	75493.48333	214833.761	93821.7525	130433.01	73801.29417	57513.24233	46207.677	162382.0587	56825.70033	49514.347	73240.296	113430.3913
C284	"9(10)-EpOME;(9R,10S)-(12Z)-9,10-Epoxyoctadecenoic acid"	296.2351	C18H32O3	Lipids	Free fatty acids	16833-56-0	1	197154.2325	215520.1282	36290.44286	48769.721	25511.36123	190500.0318	50219.38286	142805.2646	98784.9435	175568.9163	108753.9514	72551.10057	125843.6219	42140.385	44550.41329	270355.4731	39534.86786	92819.82729	62449.2	45772.76786	29994.99086	120773.5286	235867.9371	110782.0469	44968.20643	39106.5165	169306.4024	75849.68533	63241.49867	43850.05114	176994.9031	96341.81936	87534.13314	58385.13929	44084.94923	39087.18	37029.63571	40972.45764	93872.17253	26738.31364	58038.228	247755.915	33605.13457	63934.36357	121418.91	38884.46631	81036.68486	286985.6377	108890.7812	67884.34436	71033.4	48240.90343	66712.19385	83545.64785	68973.042	125332.3026	118285.9254	66440.34	125390.51	39441.32057	52848.88615	139080.4343	217674.0979	61272.33692	48865.69323	108691.5496	85694.085	93868.844	51783.98079	61285.5675	168595.269	67617.33843	99955.976	60203.32671	28601.47143	41009.23543	47441.39138	64945.25169	37015.19229	105210.5538	130163.0841	86101.96493	40117.98471	49397.43877	48984.9255	99351.6675	32834.04985	34759.73908	47865.85908	96508.53457	45109.99015	31330.70769	36801.87369	48790.24246	42220.87754	31086.59846	34004.45008	78919.424	79642.29046	86177.425	55456.05457	74219.37521	100907.0354	30618.00369	57583.0845	50580.945	100079.4038	89826.40246	58460.3785	67692.02975	54203.58	36075.50031	46597.31786	38732.72123	191914.596	66874.28136	61527.95892	68179.98185	221026.6071	129400.575	93984.25862	83652.77538	64040.08423	34277.11592	76256.98014	65846.20714	382064.96	50496.3	61766.25231	71967.16786	56355.62457	64723.66138	42196.815	50382.57462	101656.2137	32189.16393	48419.27471	210142.8057	57849.22492	54760.22593	54137.01986	51075.97257	115309.6883	33431.87646	53287.35538	76632.351	45057.47714	41942.88286	28846.81446	118069.4143	55168.02857	39599.768	58106.61564	323157.263	43574.589	51032.29308	35301.12	43015.85864	125944.167	30606.68071	45173.56071	49693.25877	56633.51086	104718.9047	46047.5695	57345.44567	63367.43571	32920.78179	129377.1914	41018.17108	91892.931	129438.8179	61712.3175	33500.07577	36098.14543	79419.882	43806.97464	272611.2162	49570.72207	209900.5954	79970.37243	137555.3984	80475.4452	44147.01664	278537.3357	50044.03929	42448.64062	107787.2929	44601.32571	56226.40053	44561.60429	47336.51071	320054.5046	34791.31785	27735.345	160474.666	53402.84286	44794.59385	34067.74286	27943.59	43280.09538	59825.205	63724.03464	53821.14462	58843.42036	78274.89329	38974.27207	41239.413	45040.77021	36513.5835	82095.28957	36477.10177	48336.95	68157.25536	147400.6673
C285	"9,10,11-Trihydroxy-12-octadecenoic acid"	330.2399	C18H34O5	Lipids	Free fatty acids	61911-67-9	1	192682.5633	171183.3585	167675.3738	270857.6182	65049.831	327316.512	85648.176	190025.0768	165386.3498	200382.0955	191831.88	165577.9178	201589.261	69901.984	93399.801	389508.396	58551.38	300399.1413	106461.7818	158351.9156	64979.90836	345526.839	234943.7956	177233.175	68890.082	185399.688	209661.4269	162485.863	212863.636	261406.4051	222308.8633	242254.4502	216550.464	153942.2764	53416.41527	108631.6481	185813.816	153725.8313	265324.4004	43233.47	145978.4438	242896.9489	62428.64333	144072.1227	170648.4223	103231.8	181514.7409	277260.289	218261.6836	108765.8154	150716.4242	93465.02025	168829.7476	197654.975	122138.1787	166556.5099	153509.3862	175079.3153	311363.2898	114701.6543	175975.9314	226396.051	281351.992	151677.4376	113137.3121	231125.5651	202569.1042	149590.694	81332.748	57758.37514	162656.0539	119485.938	126099.4239	106043.6445	90634.633	132844.4526	65288.794	87327.639	58326.34143	131262.2929	124215.3807	51495.85825	46584.95175	87530.34275	80031.4515	170473.4627	152956.4568	133502.0744	61460.14075	109363.4761	92152.019	79566.88143	60676.812	77264.15429	122650.423	97508.82488	119401.26	171323.9246	170142.5271	184254.9671	204342.86	88120.7775	128160.711	114270.3743	98146.037	98014.40775	135460.7893	96259.45333	98001.851	144362.7995	110277.4007	39175.45571	60465.94443	75939.355	341914.797	103937.1953	121543.6485	244214.7386	179601.6862	306119.7517	123631.0329	122770.946	58548.39709	85954.239	139657.0735	115998.0614	552739.5592	96502.17214	124810.3001	297814.6333	105883.736	127337.3561	119542.9673	56673.00025	93985.146	121585.8269	131678.6959	222959.9164	82497.5575	158625.4282	84772.51709	103926.3918	134430.4385	48551.2335	146173.2887	229471.4031	86564.51491	76701.49818	118964.0625	209807.9932	123913.985	124503.9686	148694.3872	299878.2203	125571.9102	77842.93091	89667.39545	174051.439	295797.8864	94381.21418	136668.7556	101730.576	215287.4589	200709.9622	75516.75542	160813.479	64120.055	117805.8651	289114.489	130756.6333	183554.3855	275210.0013	100681.7336	96245.12873	90831.88782	285834.6385	72618.89218	486594.6986	76147.99909	255429.8717	80996.08917	121110.5437	276456.7182	160880.544	348297.609	111858.325	115723.7411	266609.6764	191966.3742	170890.1622	200440.905	124108.32	162632.752	65383.21745	69831.585	119238.3684	110293.1782	111894.199	83064.64091	173833.2276	102646.3884	154738.4851	167858.8065	114971.17	169300.658	210201.3344	87634.82764	85717.18217	86204.96733	112361.1838	179507.3193	113382.5492	93476.8195	156855.9714	290078.6375
C286	"9,10,13-Trihydroxy-11-Octadecenoic Acid"	330.2406	C18H34O5	Lipids	Free fatty acids	29907-57-1	1	1146073.473	795862.5932	394961.5563	202033.1213	95669.35583	1682306.355	455355.8589	599445.7725	859785.3065	944179.38	1041338.991	678549.9498	853535.914	403939.382	568421.775	1935115.965	192753.52	678545.3749	379675.917	405332.0836	212110.5653	843788.828	959982.0615	1068636.98	287568.6788	332621.121	1075610.598	691401.7538	1576930.894	558457.4905	950658.6189	1101994.965	803913.2127	512915.5185	114455.3583	331087.806	383555.109	359200.0764	777340.6883	167540.2447	558776.064	951051.299	250823.8617	738187.02	663211.0723	267933	331414.0773	1297262.659	850038.7487	571437.3716	385764.9429	411364.5825	1178842.603	831796.329	484122.951	822497.8923	872941.0887	624950.9229	1376553.129	281847.5825	217203.532	1248290.374	1292885.793	488383.4393	839841.8665	1185918.516	942091.9955	699773.906	365549.7151	134524.5338	547698.186	405903.2073	546873.4305	556007.7258	346466.4866	161997.5933	184831.224	181488.661	116720.4313	184957.2538	310768.7018	169590.0873	106166.3171	140234.9462	143389.02	341531.5453	185736.9214	129674.4744	117665.5325	359712.8451	251388.927	175766.2975	152624.0294	194531.8527	199814.8287	108621.0253	202773.4131	238930.2023	294807.8077	258548.316	282799.2538	172934.739	233885.0393	195330.8847	171903.1838	180298.7607	356752.2438	200403.2458	176352.0735	309159.9537	169318.8077	112658.1862	130861.6878	189291.5389	981145.5971	173930.1192	299207.739	659146.5428	745439.4698	637235.8204	240962.7827	235910.484	178909.9047	115038.4127	215978.308	256658.298	3633258.424	192680.2992	378938.6662	322727.0475	251287.5971	531624.2557	401237.664	180689.0638	213220.98	213446.0375	172257.4597	1047633.21	215436.8045	234303.7868	167639.2143	237473.847	404165.9223	153839.27	202493.4057	773666.0678	198620.6688	172513.2283	385517.9098	308351.8677	184867.4923	240454.851	445293.875	1463959.58	550016.1789	165029.9863	138318.943	528108.4063	741689.1557	108836.3175	530128.9978	199690.5603	263128.7389	321137.706	191225.5767	236943.36	138013.81	366163.2433	1169671.953	207401.1556	597000.9088	667155.3667	561665.228	137898.978	370690.5224	709863.9557	149865.7545	1768570.811	149146.1707	360205.5037	188159.7896	196420.1633	1455821.694	638007.5788	1990285.883	176018.4912	286667.2423	780127.5517	343816.2238	637226.3167	493130.5878	236116.2522	716252.7088	191717.0367	169516.044	339011.3527	413215.8538	201914.9505	136169.3455	177019.7347	242804.7925	556469.446	604351.3585	352620.8327	309127.2198	572751.4307	344144.619	299280.754	364927.9877	557709.3958	1135114.5	505750.5483	519492.2727	518734.2313	1554729.121
C287	"9,10,18-Trihydroxystearic acid"	332.2563	C18H36O5	Lipids	Free fatty acids	496-86-6	1	8477.096833	8488.517143	9181.179	13780.835	3659.1198	12729.89164	NA	10749.09182	NA	9326.744	9349.41625	8872.552727	8707.040857	NA	NA	17357.813	NA	17767.464	6731.270545	7880.4515	NA	17144.23571	10125.892	8702.27375	NA	9709.69875	11374.19636	8158.161455	8153.29825	12656.88436	11934.54182	9924.84375	11382.71143	8827.008727	3333.426182	7157.989125	9141.48	5669.6866	13594.51145	4177.39875	8657.640727	12102.36714	2616.06125	6225.831818	7735.40725	4298.45	10881.64714	14091.14375	9710.5525	6270.674286	8745.5675	3257.533125	7767.513	10490.967	5671.8696	6921.017143	6218.926875	8288.976429	14285.98217	6388.738	10159.04	8889.7535	11417.29975	8864.801625	6462.104923	10624.10738	9300.119143	6541.028182	4785.43625	NA	7927.804714	6771.297	6728.529455	7636.562143	NA	6152.649143	3290.317333	6075.57825	3108.8838	8142.977143	6652.29575	3772.088833	3690.475	5424.99825	4645.684286	9562.774	8861.777143	7364.616	3102.82	8096.7305	5972.835	4235.5756	3433.854667	3935.3845	7654.092167	7238.885818	5803.241714	10233.48386	9028.0575	11635.29525	11780.3395	6271.53	6128.104	5578.779	6872.201182	5154.239167	6992.352857	5039.194333	5743.4712	7063.921429	7951.68625	NA	3746.255	3733.512	17560.63575	5599.4156	6906.657833	13824.20571	9983.100364	15463.09025	8299.132091	5351.18875	NA	4132.81825	11289.98436	7442.124182	22655.7485	4197.45375	8030.8	16305.43671	4772.72825	7222.443	5367.344333	3751.848	5641.2035	7650.0615	8445.331364	9132.56375	6286.579	8644.512	4618.430375	5260.908714	6774.69	NA	10152.342	11298.422	5810.053333	NA	6216.2575	9530.869333	9799.957636	5950.9485	10490.108	12089.43709	NA	NA	5718.518182	7496.912857	14163.38733	NA	7912.636333	4629.216375	13537.88433	12783.74455	5420.195	10321.708	NA	8301.680182	14664.85364	NA	10641.99375	14968.83873	NA	NA	NA	13380.08582	NA	24166.12045	NA	12534.50286	6182.349818	7014.044909	11375.41364	7326.957571	13853.28133	NA	6475.915333	12802.04	10818.56942	8481.429818	10390.20975	7743.026	8990.84125	4402.623875	3822.475714	NA	6080.217455	5617.854167	NA	11574.86633	6055.89	6557.338571	9747.699333	NA	10323.422	11321.2775	NA	4198.065	3472.4795	6080.002	6810.62075	6846.57	NA	8658.490182	14306.28875
C288	"9,12,13-Trihydroxy-10,15-octadecadienoic acid"	328.225	C18H32O5	Lipids	Free fatty acids	-	1	72223.66391	41843.56718	30907.32333	10747.73533	8557.337455	87220.0089	37756.09055	35347.6425	64822.64073	52914.27483	56971.677	40761.48408	59440.8996	41879.6784	35247.94909	66902.2025	11830.99727	56851.10173	37619.80773	37720.43611	13990.291	69046.8162	137215.278	65545.28283	21751.33391	23703.029	47702.396	39616.74111	102241.4986	37028.8065	67292.74173	106888.1054	51334.7472	32263.0315	10340.6445	22888.3725	29486.3508	28492.10764	53269.9607	7849.3785	25436.56825	121868.9591	14947.45308	42741.82	NA	19052.952	34989.79664	76982.01283	48977.5944	36001.4736	29235.683	27892.63258	70998.135	61184.10382	41440.5465	53403.32745	47378.80118	47648.1	71693.568	18840.59017	29050.12655	104426.4532	65395.85055	53314.354	55462.068	141195.0192	89153.3352	47567.73382	31588.67564	8513.440333	52694.68936	NA	59280.999	36227.8076	41978.34945	11034.73486	12876.4275	NA	11722.64482	22243.81364	27520.25954	12644.876	NA	14469.14133	7924.629091	30086.12308	14493.024	14597.96909	13423.68	16953.40985	20823.11408	11069.7945	16197.03109	14309.145	26643.68675	15188.531	17528.49767	35543.53636	19240.56491	30629.76682	27788.65936	14351.27145	25107.318	20347.20409	17656.65082	21375.69791	26914.38436	15086.676	15836.58709	20842.23638	15016.14125	6657.480818	9487.67625	15363.54655	62295.30136	14550.96892	28732.75473	70683.32864	47535.49773	102829.8562	23355.38045	14383.72375	13121.4615	13842.444	14015.74909	14530.5975	194764.46	15064.326	29393.0802	53677.78991	12036.58125	40052.3746	41145.68191	14490.61582	24372.31236	20978.49982	15249.07317	59994.558	19313.899	19804.72725	14594.4275	21749.649	32028.16333	11065.327	25888.80273	85397.2727	16468.40382	16784.31218	41247.99	33064.14033	16393.81382	19772.33067	43685.1898	87130.04925	34332.8328	14847.41891	11294.50636	46211.8916	63181.71718	11648.80383	39919.70864	16075.25755	23037.78545	32188.2165	12537.19818	22447.92364	10959.49118	30021.88	132687.4284	13139.29908	33943.69727	40797.61891	32818.08056	NA	43114.698	60666.0012	11281.0515	96730.63091	15822.96833	35439.02154	14734.873	20989.96875	99424.125	69753.55145	98599.93869	10693.31073	24776.96182	38723.624	28902.11125	48317.945	37599.68373	24278.41222	32737.21792	15125.446	13919.43655	NA	28541.81867	NA	15165.02427	25963.40267	17579.34573	27335.0056	41711.729	32159.1128	31244.07464	55737.6054	34292.44255	20877.70855	25596.003	28525.75	50575.89983	43316.484	27415.25875	42505.316	64922.17333
C289	"9,12-Octadecadien-6-Ynoic Acid"	276.2089	C18H28O2	Lipids	Free fatty acids	61481-29-6	3	1062511.886	982421.0264	514333.2848	76765.14036	66684.06764	1667929.14	313786.7722	NA	1144276.101	644287.3203	1014871.186	310484.2371	707264.9127	388125.9836	409678.6623	574981.8737	172447.968	460712.0694	513459.518	458189.8173	146277.567	946959.2539	936675.2757	814526.8702	415607.3738	492648.2225	408113.8759	448541.5051	1496686.676	576412.1718	604980.52	527054.6244	688993.2204	349718.6414	121895.0735	231835.9825	482211.5285	458064.817	811603.696	125957.4619	542886.96	NA	197482.876	NA	NA	178032.1241	NA	NA	NA	319041.336	318818.04	161886.102	571688.8104	405642.6245	375776.136	687408.1364	409485.7743	666828.8778	508289.1449	292428.0051	493021.8436	676620.9451	1128095.993	791145.0385	669577.3382	1409885.012	993149.2575	821721.6385	500935.7682	126847.6936	282438.8348	229808.2636	NA	NA	NA	NA	181242.6	191961.7598	94079.95236	286455.9581	538229.3268	237302.3015	141772.5207	172975.7845	101917.552	391181.2265	269803.0675	87386.83991	81830.69236	277076.4436	548248.425	178512.0412	121376.9256	195071.168	236334.844	93760.47967	131306.6103	373170.8116	284595.7818	281991.1983	259766.7371	166510.1774	309300.5262	218092.44	313418.109	NA	290612.136	NA	155286.8774	118201.7404	285376.8362	83789.92718	152200.8058	NA	552886.8487	144143.6755	231571.78	824161.3713	602099.3738	697205.5382	251159.6127	272805.7953	103558.9564	114905.3182	92824.38255	132116.7102	NA	NA	NA	331936.9816	NA	400639.5597	501296.796	79777.65391	NA	189045.3047	141178.1032	708658.0544	147263.1009	174342.8827	127162.728	163334.9932	331851.7227	115453.0182	151780.9016	531624.008	NA	113340.5318	173351.3289	429017.1676	198216.6	116622.0982	404854.2582	NA	302658.0382	162708.4012	103362.6313	247066.5369	663777.7685	59484.00655	NA	83195.425	96118.44364	247475.657	99052.49964	211063.0216	90865.602	NA	1275092.349	84029.87	295397.189	246722.9945	NA	101054.4344	227131.4493	NA	NA	769191.4815	87306.50618	353147.7291	98353.56545	190005.7578	NA	368797.4667	NA	104686.5327	151317.8209	279408.6091	281936.7944	314085.4805	309766.8531	166809.0674	831785.4822	120045.8007	137126.83	245503.4717	240987.8384	106676.8827	108422.8982	114174.874	212499.1729	265931.0887	538607.4109	505384.1664	253082.8745	542791.6564	225355.9498	217061.7687	209661.1018	369255.9564	538473.0284	262130.3353	244580.38	388150.5277	NA
C290	"9-Hydroperoxy-10E,12,15Z-octadecatrienoic acid"	310.1	C18H30O4	Lipids	Free fatty acids	111004-08-1	3	73911.53427	106367.9792	28443.6935	27181.528	24076.98829	108132.1233	38927.80615	85690.612	61227.15345	115449.1595	88634.15725	40230.33046	80636.52275	30834.85192	39584.92731	127830.6122	30310.42808	62528.51367	58440.98836	27270.39008	30808.0005	65709.83655	97556.879	44835.7816	30919.23154	40112.71592	93763.05467	47639.09769	45591.30423	31379.00567	87880.98375	60119.23817	56254.35833	36866.53675	43530.49567	26274.90625	29711.717	34489.48731	53585.805	28261.14569	47658.48225	112361.6686	29670.42462	38626.19583	66455.13125	24863.8095	57383.03345	223018.3892	115838.3033	39975.06962	39061.13675	30194.02967	38016.19231	55228.50873	39321.7455	75651.98333	56583.04718	33420.15855	74404.17627	38965.8535	76925.19143	82534.35273	126197.3026	48286.4525	28873.30383	87309.198	60763.43636	34102.4175	29523.75833	200873.7643	188973.6062	40115.99077	60844.08075	37827.405	24543.01029	55793.975	32216.728	49619.78509	22362.516	131338.3123	227026.8777	84877.108	30878.40269	59430.7295	46828.8015	94949.5815	33568.23029	27940.51938	25811.72036	69105.9705	38891.39583	24954.98585	22062.89908	23002.2	37531.22769	24561.30386	25504.92	112627.0683	92094.49009	120634.7202	51348.2605	60677.62527	95307.75833	30269.52592	77713.52925	46820.267	95170.46364	64381.01918	30615.28346	24361.88883	48562.85318	30128.85257	49670.67083	32923.47423	94719.104	80920.6425	37566.97992	28293.8875	117681.1425	48279.28657	132440.3818	51954.95264	28226.308	42142.187	39894.17033	62542.8765	353646.5685	51664.94667	46248.80867	81571.536	40677.87092	46264.19792	29536.14171	25780.69714	101797.1993	28764.12793	52227.095	116490.6455	34998.91754	79029.37483	80832.9	46205.835	56913.453	33492.81154	60486.25846	62138.27017	43631.51962	30367.54215	25137.60557	236414.3105	66078.87	27857.3474	43593.31938	336679.6875	40474.70669	50185.60085	34966.48831	39191.15577	78737.93625	28562.82625	35446.69692	34495.33546	24201.57943	137596.7229	42482.88392	59005.40677	35751.55231	32357.31423	67068.80345	32048.83415	71306.21167	72886.31783	48946.42514	32974.54629	35528.47523	59827.86923	54600.03138	104482.677	172772.4267	416831.8118	73644.99375	113305.903	58831.18892	45069.60231	297708.7708	37629.70762	32226.66192	104862.147	31817.72308	52098.02733	28332.50954	41703.3915	281937.0667	28013.931	30724.27143	228286.4021	84037.063	28939.41415	28313.12215	36149.29569	32227.57938	46472.49533	57645.82514	31624.689	66321.32945	47709.65967	30343.11879	40595.52792	44407.34133	33459.31179	51823.499	29645.553	39627.86954	46012.42483	135684.365
C291	"9-Hydroperoxy-9Z,11E-Octadecadienoic Acid"	312.2301	C18H32O4	Lipids	Free fatty acids	-	2	76532.3746	80121.86867	68614.39612	72403.27309	71395.88973	433844.528	70280.4452	79320.744	78772.1768	75751.4688	75612.7904	71231.4405	79281.7984	72487.74691	80869.32655	88497.49425	77938.84009	74170.44113	73274.544	75451.677	73183.6224	67006.45462	77146.72364	71094.37912	67956.0896	74320.7739	78179.7184	80832.82455	69797.7335	73116.26437	70956.39787	64859.75271	68436.86167	75276.79473	74089.86836	73320.464	71923.50978	75644.54083	84140.1344	77200.71273	73274.894	80142.7959	73595.984	74553.702	76806.7104	70019.7344	69458.19	102884.7607	80441.991	77986.64158	71106.22971	73797.66114	68787.59057	70172.74329	70034.87571	67724.43729	66383.69829	74558.4955	71333.45725	72581.78813	66336.724	73833.46771	135500.8105	72822.042	64213.90329	73035.57729	72212.5635	69340.91143	70218.08229	62594.08775	70782.514	73879.73914	70041.63375	76109.1885	64942.25314	68914.891	70818.59271	68277.75814	73746.6165	67260.1235	67769.77629	70945.836	69016.13614	72117.20725	72637.8675	67767.1605	73590.74871	72050.45575	75260.74875	70864.857	63621.36343	70364.58963	70726.06414	65773.95657	69073.98857	68946.74129	73574.5485	72757.03375	70503.39588	66984.20871	69905.94886	69295.57243	72361.143	75169.13663	73044.47562	67585.64443	68979.30325	70318.32088	70449.40371	73554.35725	71891.91857	70086.97713	67074.88671	72767.7885	65446.34663	69053.588	67537.52957	66915.387	71419.10314	72343.46357	68415.76075	71241.84512	68163.95062	70409.933	64906.94229	72822.9675	993367.9846	75906.6605	72193.52286	69616.73525	66579.95857	72906.59475	70809.32587	66659.63625	65737.84886	74880.4825	66590.23643	71288.11388	69533.60287	72384.312	72513.104	72908.1024	75566.8704	73032.53455	69101.3344	69303.1845	69287.58327	72942.65964	67772.4096	57375.67775	73235.679	71560.846	65043.2245	75225.5655	73902.85382	73260.41073	72661.246	73622.262	79693.2416	74523.56727	77446.8352	69699.2128	76320.993	72953.5059	73016.53745	64373.7483	64281	72091.228	74875.05491	66270.05918	72127.4624	67991.755	71065.4004	70930.23	69543.42909	66456.36937	70651.76655	68055.57112	62206.9235	61859.7504	61984.7184	57915.2224	70365.42556	68545.5852	138694.5792	72316.86455	68455.33382	64877.198	65107.917	62129.704	61313.02982	64425.76	70615.776	59323.2651	66494.8075	65038.2012	62682.6368	64472.5984	66818.1195	64289.90691	70654.51782	68695.5335	65206.08073	64372.83	61587.40775	69138.616	61422.25	67010.01345	67996.78836	69093.8103	60933.264	67212.432	63601.0368	66270.28264	76895.7952
C292	"9-Hydroxy-12-oxo-10(E),15(Z)-octadecadienoic acid"	310.2144	C18H30O4	Lipids	Free fatty acids	-	1	706080.966	971216.601	42941.9215	26272.95187	16862.05987	1448530.639	106938.3818	579178.1956	625297.2799	929394.0978	909555.6375	144603.9799	516208.2469	113432.6511	272293.2989	1324592.263	27525.46638	428467.165	370467.2215	110258.0145	27051.72312	258962.5687	305336.4029	453959.9614	82134.35533	144041.0565	618215.2703	605747.1098	409244.4999	65519.468	655443.4574	476519.3199	390970.1409	153337.0842	36815.54	52773.3415	55140.28425	69752.5275	689768.233	24792.017	183354.93	550065.0908	37437.1915	278331.299	402884.7934	36965.90713	194878.3477	1061303.933	465926.725	255141.0662	68269.11257	78138.94938	623788.1282	336763.9568	332316.6187	425600.1168	636551.9593	216025.0263	651175.9015	83801.45829	161226.4959	794946.9109	1207744.681	155422.454	128639.2688	522334.549	682927.7241	354084.6468	222397.0475	39568.51275	285752.5301	187627.3973	161834.4817	231161.6092	64391.3625	29035.85475	57816.5035	86960.423	24749.71386	56576.36571	155575.575	48221.019	27149.2155	29547.48125	15814.94525	159053.3486	43063.086	18280.6185	24113.7875	203323.2403	146153.8907	51462.528	29276.18538	37639.63888	65817.45375	16195.80075	26492.40113	162280.2755	125021.2281	92457.01525	54469.88437	45909.279	121168.653	16798.111	64342.87125	34403.75937	113226.6937	27523.82712	40909.94263	14439.796	26039.48625	15720.4075	41618.91825	29344.21425	877127.4311	68899.31675	59930.16037	54729.1785	608097.8193	354247.6624	37356.50286	27857.2635	24034.8375	26920.59429	23921.01567	35242.52888	1624732.067	68932.54687	169075.8968	232564.5204	67294.00725	229767.6457	154405.647	33362.325	54264.91238	52537.3255	48496.24687	1051197.26	22468.52775	60908.89875	43677.851	25269.42267	215989.3695	33694.67	32692.69688	419986.745	15259.145	27567.09067	49780.328	50684.99475	33257.92363	34840.6195	169586.9535	694034.06	39529.7315	25785.208	39500.4735	46179.7965	379046.3242	10964.79312	173398.8227	30895.76438	29137.3225	64231.631	27796.68125	181655.2322	64016.654	24835.25	383692.76	24836.07422	295640.079	294105.3533	223038.3246	47160.82233	56712.457	167387.4562	47160.703	662942.521	36145.37956	31602.28113	32143.23363	16800.67325	307824.919	59297.436	1285515.02	52129.52	96645.657	370852.268	39048.86356	154280.4726	54953.28638	30678.91875	276925.0595	36809.00262	30174.8625	213773.4885	212525.105	19559.4465	10822.94733	25297.284	74680.36667	318503.8161	247320.2145	76311.129	72158.614	248882.2875	55072.00125	33662.211	173487.4781	57615.8905	433746.615	71279.0875	40134.57738	74770.14	896549.9182
C293	9-Hydroxy-13-oxo-10-octadecenoic Acid	312.2301	C18H32O4	Lipids	Free fatty acids	-	3	3212761.593	4752077.276	606328.2733	247560.3735	145639.956	6385084.492	995308.7263	2772322.424	3380604.754	5001565.37	3494366.646	NA	2716848.479	687443.7627	1235968.314	8331711.43	445815.2522	2852513.086	1592487.509	692277.6	293872.572	3342737.915	2518079.501	1460909.99	617059.546	1398032.95	4227404.862	2519652.743	2428287.892	489912.2967	3702323.293	3046280.601	2629272.356	1298620.463	225327.4615	515492.768	736270.8337	632638.2952	3576028.562	391374.7527	2001649.124	4258811.64	599331.347	1833626.212	2848583.665	433194.87	949973.4425	5410221.345	2560242.724	1608616.78	908503.2763	666962.2447	2483024.136	2173311.021	1345275.111	2602164.223	2855103.09	1592663.918	3295081.862	781392.42	1025995.293	3894116.739	7475140.125	1560297.121	931503.7818	2920953.415	3303390.145	2444103.405	934340.0577	831778.992	2062981.064	1602536.004	1498872.374	1190671.013	496113.3617	436357.4044	243188.701	543684.3146	179085.1012	824383.9187	1819595.991	634570.3389	144939.8971	302191.4188	183395.3625	1443936.389	484236.1364	137984.8504	146572.8309	1443633.015	708350.8647	202714.82	280038.1133	364314.0941	447610.2878	131994.3927	154484.7729	1051429.908	1115960.566	1228211.896	338808.912	580308.6657	678758.4136	392328.9482	729532.9193	260771.8156	1165762.822	359720.2145	327011.7384	138394.656	500320.216	236034.4537	321939.7729	356750.6571	3355079.2	612078.5713	753560.7333	414251.0043	3196483.658	1946183.198	355771.2934	219596.328	290142.3263	287923.032	235671.9633	239740.4271	14599637.17	490492.873	956888.3016	1697966.374	492970.8518	1479524.111	661517.0342	257506.3989	678688.7778	352277.0984	448729.389	4890352.273	200809.6378	508693.6628	535917.304	491340.0117	1217499.067	274161.4071	515226.0963	1786757.218	308638.8418	327273.2433	448868.9014	1281136.944	519536.93	353649.8668	1110598.13	5501920.509	594672.4476	340860.896	269529.8812	669073.5747	2422768.335	145631.1354	995823.178	273027.8833	188895.301	1026072.886	406505.2235	875063.7824	369958.6046	519785.5342	2361654.492	259484.526	1562361.049	1902328.269	1462132.902	258365.6529	515938.0962	1650755.074	392989.4766	4702254.428	346121.4094	750735.66	433965.8464	386496.2197	2232331.521	354019.239	9233489.34	NA	580326.7886	2773884.198	738068.1247	1122272.182	546795.2626	308771.2273	3137098.631	318700.4167	345224.7936	1286084.555	1249791.846	296518.4789	213925.2729	272462.516	NA	1910211.132	1832881.911	466386.93	957783.5359	1511711.28	684267.8477	572402.7812	1457639.642	732254.4003	3470985.211	731643.5022	587221.4547	878866.414	6399795.8
C294	"9-Oxo-10E,12Z-octadecadienoic acid"	294.2195	C18H30O3	Lipids	Free fatty acids	54232-59-6	3	514468.9237	539003.1398	198399.1329	253498.209	100014.2235	524794.5157	234878.1692	364374.2048	243413.5507	447725.283	332627.7472	241057.5218	329459.6587	106235.8808	137080.8273	703276.3035	151123.4727	186910.4288	171472.0875	155045.0333	103445.1367	426440.4495	711319.731	471293.4	244473.3091	161222.169	386770.9605	272651.49	281681.4257	149032.8812	440134.9833	204107.904	294306.1917	230797.7182	181535.6273	189264.0188	170807.126	240619.2364	327535.67	72114.762	322599.1467	351879.2638	227794.6355	282199.6408	296393.3205	216215.7365	232288.7618	576293.2838	282717.3015	201237.3009	193292.4529	223669.1818	204161.256	298239.6547	180411.616	522884.3787	252770.544	138897.8778	287523.4395	191860.4513	236889.2713	273723.0749	598363.1823	193761.117	340548.2506	413779.9933	219867.5073	274155.8123	168811.3818	228889.242	215921.7642	198355.8757	367529.6282	105589.5813	128419.4636	137752.8701	330380.9273	290461.8727	123075.5412	119060.1038	223096.875	180955.0818	149237.1422	166929.3382	232013.1182	279819.9718	157142.4182	224437.2745	233490.7	385046.8962	346199.7538	120866.979	211333.4431	239163.9357	333883.281	134376.0708	153024.2909	157382.379	181716.3855	242837.4818	186787.0132	195264.5909	312264.06	95935.37775	196032.7357	270241.1	293858.475	388158.0747	222772.1455	368237.1727	291412.2818	190617.4182	218761.7	163637.0364	624348.2305	213829.7105	331012.0364	426960.9616	442919.7555	270246.7545	268025.8138	384393.1909	333235.4123	163298.4815	414100.2658	320057.499	922433.6497	210913.9115	187951.3935	200558.2555	281275.2091	233958.5545	174007.9618	320344.6833	294078.2757	245844.417	274680.5635	676624.8364	341235.6083	196947.6612	184727.1	189783.6533	198447.5285	145138.6978	186900.2322	226774.0605	151610.1773	157843.3117	145144.3935	299298.0292	194493.2925	179847.7126	160587.9892	685857.6123	116430.531	243381.8053	93505.44825	152083.236	308172.9517	130216.6807	124535.9813	285616.0117	450365.9812	232817.1358	300406.3575	173279.5038	149720.0192	134601.6075	359566.8037	356291.9258	276584.805	424990.3011	191383.6455	165515.966	224321.083	312794.5975	285932.6332	847058.061	187451.4775	317310.0112	220191.433	155217.9801	246412.6968	236674.0787	664791.0487	140041.3148	140887.2	293434.6414	371714.4684	220223.3677	253711.2435	273784.8592	483792.0216	165512.7724	165230.5308	221797.1464	172792.2159	153089.3055	169214.584	58750.14975	222514.7797	160498.2867	253344.0375	150237.8385	215787.8565	319844.8568	125754.7427	172771.2636	229629.975	159690.5827	294754.2732	109572.9635	161487.2692	206039.4505	437652.4997
C295	9-Oxo-12Z-Octadecenoic acid	296.2344	C18H32O3	Lipids	Free fatty acids	112543-32-5	3	144795.449	168179.5085	85964.0205	64635.6465	47079.91	137689.1427	94472.95	113546.4462	91876.72	299188.6	192260.68	543465.0925	126281.848	63119.55167	71945.872	453831.911	55495.25333	121313.1951	66709.62169	95281.70636	57040.38218	160521.735	262751.04	134764.36	84357.66	74274.815	207527.16	111570.426	175058.2373	96929.2075	153017.9931	95896.59675	173436.0198	125445.68	62613.27233	112906.6131	85643.065	95349.56683	203051.7762	34123.77125	115208.126	120718.836	81672.63508	531780.4727	99215.914	79327.53736	92924.54769	234424.8976	149842.9286	98226.14092	83350.3325	113159.2067	90369.94583	134908.119	113557.99	222578.673	135459.4061	77160.16677	197015.715	80759.766	99454.496	206679.0443	203691.68	81268.23625	116201.6998	166369.352	79236.92385	85443.30683	66174.02683	65704.78417	125705.8259	87689.91323	144441.3647	49755.082	48935.34167	67499.396	61380.94418	81087.97983	38953.16246	62202.58638	103899.1345	60990.95625	52838.464	67868.75717	88416.04246	123496.6279	73079.6235	72429.66225	89730.117	266229.1017	74089.51933	50580.89183	75085.244	112685.9733	121331.992	48625.94767	60850.80875	57208.12392	51640.77675	80519.4	67503.70933	61062.3805	103242.344	43918.93617	53278.20333	59508.595	87057.67846	87904.35867	69807.92777	97914.3915	62428.12292	41750.58908	61955.83275	59600.8175	148425.3832	69852.73167	79142.15083	109823.7167	145931.32	82716.33333	85189.05231	86114.29333	102679.4376	52798.83662	78569.39067	82669.19067	426297.0552	48662.33615	45560.97815	57311.816	78120.1085	84127.88508	64268.5615	104425.2583	102238.838	59957.17	65256.752	304390.7104	87343.67925	64417.628	79531.35185	51300.729	71592.4905	41187.77917	57746.55033	86261.31433	60624.79083	44403.80354	56730.96692	102719.0732	75683.01167	72606.8985	78415.535	NA	63104.30969	79776.25983	46960.71083	80356.92717	112892.6951	37947.13983	52743.76	142328.5405	147434.4762	101919.2808	78903.8475	63341.784	80534.72083	44394.237	139248.021	115729.2185	93824.00908	151376.8583	86838.54075	64765.47	96207.15633	138765.2786	56600.23083	296958.9263	77249.6835	138990.891	84451.24862	79180.78638	215756.7537	88896.89033	357742	53070.864	63228.067	214222.0818	156815.4407	103212.656	90211.422	83944.6675	177272.403	79964.41917	42761.11517	98779.70769	107236.7557	75495.25183	68718.64242	40138.80415	72857.802	121996.9835	78381.74954	93850.02033	103785.657	129885.4018	68411.78208	72458.61225	78504.76923	67920.364	176554.8208	69137.72067	68702.4135	96231.10933	422658.408
C296	"9S-Hydroxy-10E,12Z-octadecadienoic acid*"	296.2351	C18H32O3	Lipids	Free fatty acids	15514-85-9	1	1376735.841	1796762.519	215673.0889	222974.006	156388.9196	1868939.477	338897.2156	1084172.417	734941.161	1171838.563	939485.1448	720299.9213	1073709.713	338461.4208	341115.0107	2493416.331	214248.6997	810742.5148	519325.1154	271152.0581	206371.7227	917363.653	1141679.83	675253.6181	252720.3798	348236.4051	1741739.469	676261.8971	770761.648	394008.471	1105040.039	927630.4615	764751.7154	400563.547	270003.6225	203783.4492	320254.12	285320.4482	903194.6051	196431.0693	642141.4236	1323972.477	216258.6881	639924.714	1001215.306	196508.2979	435540.0337	1984760.274	1002957.498	638250.1613	373219.6011	409241.057	629248.065	768072.416	598707.1122	1111553.016	1118465.876	507137.284	1323515.634	290097.3316	279741.483	1225455.09	1654555.161	429549.663	354726.1323	1235989.874	778212.7425	698980.6587	392708.4394	322340.7697	1004108.849	551682.3603	691307.7517	462499.411	198547.3134	296010.8103	293207.5957	502878.1951	183124.5207	791564.655	1428171.586	592951.5643	226784.6397	328212.751	241126.5682	784885.9954	287825.1087	172915.6348	164685.7363	879204.3	332696.5187	198266.2164	147091.1917	199529.4178	183807.9402	162861.0333	187411.8813	596228.4266	608780.0957	515138.0152	350324.755	456879.4277	726634.8774	214665.0717	474307.1625	270960.1527	739361.4573	410378.9538	229405.8607	182607.3913	294562.7609	163406.7181	365953.167	228261.175	1352479.345	374893.6043	247982.604	396439.423	1598044.172	745002.027	587044.3935	387976.1735	205446.1133	219509.8619	370927.4459	332868.9858	3987486.471	355955.5603	509056.5627	340405.5897	359964.5317	438721.7673	334239.2112	148636.506	867513.0897	174011.04	341061.3568	2129174.586	246535.6673	415001.0166	462159.0822	313700.9647	818534.3969	161321.1372	296794.0511	623371.922	246233.6392	161763.482	185300.9464	1059120.689	364779.9477	195072.9587	359146.4151	4395465.816	322953.8647	297305.268	209279.9961	290497.7367	836367.4858	155313.4902	360430.3654	220982.6033	173106.1281	565850.6886	232877.0103	304170.5809	219193.8647	276015.9621	952287.492	178696.5471	798960.3647	848285.7574	537616.971	161682.0215	199552.6943	764283.6709	219239.338	2013087.182	307901.6742	1683289.481	410956.6914	696066.273	806894.7796	321755.8456	2866178.522	277730.667	238814.7131	919393.9656	213759.9043	375205.964	197882.4253	200270.9446	4448980.93	162158.0413	155547.9466	1080067.623	437940.7377	270801.5168	173422.7057	197353.4136	293259.6443	526328.6246	645149.4167	309485.9591	344473.0674	525319.6777	217776.9124	214572.1999	345925.3285	288739.1703	721481.0328	254142.5325	320203.36	361827.2016	1539057.575
C297	Arachidic acid	312.3028	C20H40O2	Lipids	Free fatty acids	506-30-9	3	799107.7536	1068660.21	645057.3832	581143.5587	635678.0568	949123.5464	620044.7175	1171206.626	990927.4495	1178996.438	1142597.135	668720.1885	954283.6691	634439.9363	832166.328	1078831.983	793086.8714	856915.14	968789.0116	683300.4578	645816.4041	820970.0051	828181.9967	780444.6835	746908.8229	639998.4701	745644.2116	750741.7396	620914.8295	669890.0247	1069526.424	787425.7025	759597.9686	789209.5582	691876.9382	676330.6724	723862.0036	643761.7687	641173.7345	666572.9727	671909.1409	1245644.979	598217.8953	695962.445	837786.8225	609937.1847	1022652.103	1252828.86	712316.7262	658513.5185	507929.846	531806.352	479824.7202	562994.4643	612975.888	679949.3036	639529.0714	537839.625	574722.8576	546921.4389	556811.625	638507.25	766462.6071	541163.9109	468850.2857	523686.684	515995.578	415217.1549	418537.875	695067.7989	872460.9943	491131.943	628170.3715	483768.0446	446697.2026	425729.9624	409941.6328	555065.4126	366486.1566	816092.4766	907720.7679	644019.2983	452318.5996	480277.9286	389068.1452	710647.6607	436173.0514	366172.15	409072.8214	500572.2857	360814.0148	343273.0076	306507.9526	319202.2096	327677.7321	390483.3214	430133.9529	481804.2617	576981.2143	535312.4066	408219.4821	500166.6868	640083.6964	372784.09	486928.875	428515.6607	447147.9643	459853.3393	440882.25	461091.9107	363497.2762	435550.9286	417174.5357	319657.9322	585609.0986	502406.4643	467091.1863	522613.3943	769816.62	648040.9377	642000.75	490853.1429	341386.1262	434937.9291	556981.0631	522617.0357	815247.072	458503.6737	391439.0354	658995.5946	484244.0893	356643.3817	360161.8245	388350.4286	642172.875	404935.4464	460652.3371	758584.3767	589907.85	485094.6964	464404.1577	471183.6674	580790.64	439604.2806	828420.8825	839400.3884	810559.0625	432270.4896	315610.7679	1036956.234	484949.9559	460286.8647	847546.3833	1058144.639	629801.5385	670107.1004	504815.3197	480763.5175	740315.6435	466505.0689	777241.2477	778493.3967	869685.94	1033971.417	538008.8127	660080.5571	676157.5909	416297.1255	776227.5185	630672.5291	1056184.91	863161.1836	865840.8068	748127.8375	397856.5702	458981.4788	1197361.698	828307.9286	1004355.797	1322757.352	747952.8949	1073103.762	1027953.092	387706.1804	1227275.746	841272.6458	1147697.989	1060978.15	1394430.739	1038801.391	809112.9366	NA	1044174.931	1189907.139	705452.9577	1294539.915	881701.1236	824014.2861	907407.68	1076616.327	678815.6984	584524.5718	510462.3271	664589.255	1101860.426	664152.8718	702703.5464	775718.0936	801216.9144	749521.7945	809032.428	657246.0938	1018325.668	714426.209	1290788.447
C298	Crepenynic acid	278.2246	C18H30O2	Lipids	Free fatty acids	2277-31-8	1	524068.9875	833734.6009	164981.9229	268955.368	160906.4613	719067.5831	239723.3387	901218.8644	576572.6109	980432.472	915584.703	189064.1576	795121.9987	189740.5116	378904.6109	811255.9863	238472.0067	606684.2749	681101.3847	287056.1469	178897.9928	473148.027	754031.394	454491.117	206244.599	189949.9152	301760.497	275562.5274	220761.96	190531.3781	850061.5926	542086.6747	401279.3846	201944.9749	365035.3376	240651.3112	184759.7591	248383.584	266170.3567	178938.1032	176646.764	1191112.226	160647.9	157475.7033	639047.6405	117661.8175	840451.217	1081372.052	376544.928	210532.3233	275210.1113	125169.745	233507.4308	261030.8532	438266.6952	481812.781	451451.1862	209740.284	397834.3029	129379.2548	460438.1661	495428.6107	996636.3813	217187.7336	231799.9611	417979.2999	313967.628	167103.443	186161.7596	597930.5201	1063146.459	274982.8635	678230.28	309715.792	221878.8351	223866.8496	439352.1846	485001.2338	219698.5838	870397.536	870165.4684	680638.112	463698.9605	440559.1077	426971.3478	906760.848	314272.3092	250902.7048	195439.6442	579340.9053	434515.2875	282816.6075	163337.8036	391159.7462	305636.9207	296018.6634	219584.9354	658861.4868	711561.708	713247.212	461317.5266	689149.9463	963480.0786	270782.5625	661272.3492	438962.7508	596537.3766	522211.4259	392175.6478	270651.5657	398491.9227	253849.14	438079.2831	234527.7888	933136.554	418678.3969	371334.8277	560318.052	1235837.503	872349.58	819799.404	636363.588	284118.735	491474.6511	658371.5229	714655.4694	1112801.951	418346.3228	401442.2306	769696.6044	332662.1722	286597.518	131603.2142	189082.308	885950.6232	138728.7472	479600.4497	961674.0523	357784.3929	611189.9706	520371.3129	485692.488	644568.554	251411.604	474841.6272	714980.0742	285395.5944	312842.6117	187985.749	990076.4605	347739.1587	199571.1247	584800.5797	1185081.202	213154.8293	396977.1188	257846.7965	250269.2851	756602.5571	193003.1305	219431.9979	290074.9551	194256.5538	784636.4756	207698.0859	602162.596	778363.738	251913.0473	390343.056	268264.934	557460.279	782927.4954	269125.2224	221259.5067	225024.5316	413186.7124	334862.0117	663399.093	762097.5501	1149816.618	636878.3	1143053.215	260536.994	306817.0812	1191272.2	509556.166	255863.7799	396633.337	194133.84	443732.5704	240243.547	405322.945	869488.19	233500.2688	201663.8972	937263.2477	403024.0852	279951.563	217151.5915	256341.129	300677.669	377791.6893	244315.499	216218.4631	324271.8592	354246.856	196463.1884	246403.7049	173172.2405	264156.5064	451124.8799	218320.7726	226374.2294	348539.1826	1008104.049
C299	Docosanoic acid (Behenic acid)	340.3341	C22H44O2	Lipids	Free fatty acids	112-85-6	3	1077938.418	2214131.48	1132701.802	1096567.897	1207935.289	2077165.425	1483470.518	2503249.521	2047087.306	2677625.004	3836419.907	1197334.798	2101988.655	1298913.369	2108228.893	2554246.647	1791174.33	1549727.873	2604450.632	2067642.223	2242753.68	3046451.348	1919160.711	2139685.624	1628569.374	3299429.532	2213527.556	1454658.432	1344538.604	1499129.248	2195229.177	1549650.373	1566089.916	2262604.62	1685785.997	1487523.436	1488110.833	1552920.087	1834107.366	1783777.471	1931691.56	2904346.848	1353510.383	1978011.516	1800305.609	1566553.864	2586713.018	3528949.525	1820895.068	1417539.904	1610200.102	1622825.896	1335661.768	1648809.964	1541290.519	2345403.875	2529952.637	2104299.967	1973254.01	1590898.667	2147968.821	1711738.5	2091795.964	1655316.601	1810171.462	3677431.071	1683460.717	1813145.479	1496814.002	2279888.934	2509003.993	1667559.121	2122310.323	1652069.025	2001124.972	1942054.5	1738518.516	2138851.774	1855476.876	2760136.698	5106828.536	2937162.078	2039630.943	4306172.645	2404942.142	3056856.214	1992759.369	1842465.558	1761681.669	2171185.876	2021059.268	1917117.423	1759924.799	2239031.056	1777209.616	2138714.446	1917565.157	2825770.45	3176628.804	3178854.506	2829626.812	2872686.373	3471871.446	3734786.007	3068309.86	2825720.383	2372404.234	2223574.22	2495732.215	2304081.725	2822480.223	3091735.788	2075796.507	2137209.801	2623354.56	2677826.946	2342702.37	2711491.275	3846654.189	3417588.777	3521198.464	2400216.643	2266882.227	2975765.254	2848552.449	2702001.573	3165593.832	2788870.949	1832908.792	2866198.503	2817767.145	2669398.052	2313613.414	1848352.672	3041858.095	2157572.605	2208904.971	3924097.154	2477235.759	2927468.084	2078857.162	2536163.107	2765750.192	2243282.405	3257884.303	2589011.952	3002675.698	1715831.245	1393841.458	4918633.194	1595533.059	1609524.485	3300091.946	3269865.189	2096027.581	2337849.829	1945238.535	1792126.154	2558701.593	1362256.889	2351288.326	2416729.836	2305695.331	3213081.833	1924182.101	1812249.37	1817661.26	1202493.062	2619531.278	1828154.64	4525968.371	3252768.548	2689904.831	1884915.664	1213890.041	1506057.551	4890747.702	3210700.649	3279130.558	4971370.558	2820643.327	4464721.44	3114742.944	1351693.064	4004512.584	2113961.053	4002881.977	3131134.706	4133455.923	2409752.606	1270139.535	NA	2228953.195	1909732.052	1147807.007	2507302.216	1436637.349	1656659.768	2065902.912	2326717.756	1432730.939	1452204.14	1320232.936	1482846.8	2299960.75	1686494.456	1606847.056	1660934.87	2232008.992	1677968.869	2009997.754	1766094.091	2965694.891	1603917.923	4293385.979
C300	Dodecanoic acid (Lauric acid)	200.1776	C12H24O2	Lipids	Free fatty acids	143-07-7	1	36793.30667	42329.112	35924.154	35930.608	33714.624	33196.7115	43346.52933	36053.374	32839.00667	35823.69408	36658.62842	32812.74091	33459.31667	32846.87267	36190.88283	37049.11283	33341.2025	32438.403	33835.61055	30494.926	33397.36083	37273.15458	36342.22954	40026.11738	29475.36818	36714.66975	38789.856	33576.49283	30187.842	35252.843	36034.79892	33318.88	37330.97	36058.00418	34855.92655	33486.85145	32532.22636	36324.98025	33266.70317	37572.03783	36509.431	36011.626	30234.97925	38357.466	35161.4175	32144.25892	38066.292	33188.666	33434.358	33088.499	29292.11057	27956.57614	26353.11986	35098.17925	34049.73091	34596.68236	31962.723	32225.34	36128.36733	33957.48825	47565.42963	31573.26	32915.85464	31364.676	41049.218	42146.54836	33232.402	36790.81933	33076.97509	28702.765	31658.99625	33109.25975	30969.44942	31759.89317	32143.265	43404.30091	37744.97933	29325.74057	42154.37325	35213.19083	31039.9005	34325.29714	32496.98571	37102.956	35522.56714	33208.2555	34943.88857	33998.80687	36393.9135	36526.78545	31494.07543	35213.19083	30805.92	37327.83083	28568.856	36150.009	44983.37686	41615.08488	36199.82455	42715.017	38740.6005	38455.00682	36468.47525	39322.92088	40034.2635	38796.95773	42194.86773	44777.344	46032.941	38244.5	39624.015	48754.89325	36501.55157	48315.02375	62008.66457	35781.86986	46981.83536	40813.16267	41271.186	37625.57018	44000.404	40406.043	36261.17775	40280.18891	40185.6345	49595.26483	46674.65455	39829.22258	39499.47655	37516.52527	45599.874	47896.58064	72143.30909	40481.23192	40798.91591	49111.15242	43230.20891	45346.02683	39964.764	47766.2	48296.17383	46682.046	48987.03883	45868.13	43700.89742	37963.641	35987.12058	37553.13858	36713.6755	38313.06291	39698.02558	38766.51067	39048.00408	40742.632	37660.672	43130.63242	35472.85467	44391.046	44085.17375	34301.85333	37139.816	34665.75	31746.685	34694.8125	36362.57425	36478.09267	36228.318	36009.638	38586.567	35169.58317	39751.75417	37532.0785	40092.99	32005.82446	39468.37333	34842.62083	38530.422	40431.0215	37480.4365	42927.0725	36138.192	33960.3435	34029.99683	42226.0965	35694.62	34494.69167	35441.0905	38657.39483	36681.865	34271.24058	40119.76325	39658.612	46471.8975	36444.84525	34665.75	37879.77083	34069.83733	41358.394	36572.15767	42044.66283	39623.153	40658.576	44736.18917	35035.814	33311.30567	39493.82209	32233.872	33883.472	35378.343	35055.398	34042.20183	36335.015	38893.08325	32621.33892	38789.856
C301	"E,E,Z-1,3,12-Nonadecatriene-5,14-diol"	294.2559	C19H34O2	Lipids	Free fatty acids	-	1	1022734.755	4072030.01	236310.8504	390213.1	166765.3712	2658079.765	481018.4335	2076750.88	581551.674	677430.4163	593389.5076	153952.2171	2652981.591	160516.6716	539174.9353	711944.4165	248996.2668	627415.7112	430212.2193	408657.348	247487.0447	1008696.196	677367.1951	548712.1978	127223.4014	216691.959	867792.5057	621363.27	392481.9208	210388.9343	3256278.759	967400.5071	1099867.395	240240.1911	499072.4025	255095.4933	460256.3123	158712.7352	349323.6655	118195.8242	139766.7526	2664142.707	107650.9177	99013.62808	606491.981	167102.0955	1808115.286	1455262.803	456304.0747	282816.0802	436280.0723	102713.6622	569510.8491	346744.3267	715436.3492	434223.6607	751207.0903	366031.6911	357076.3475	183652.0976	1161100.947	500775.8017	1728854.661	274547.4745	272588.8705	357293.377	416928.1122	272416.0669	163511.7189	880480.456	4567845.371	448651.275	2010945.695	441290.8256	623905.2544	367832.7613	219039.9466	943333.155	162120.2548	4537003.635	1622718.507	1892386.966	1697253.417	933955.1695	484294.7675	1532887.252	298628.1567	390966.5567	188491.0229	615016.735	307174.0848	347297.4356	209401.6485	1203710.678	599249.5711	402963.621	308839.527	1654999.223	981214.4207	1191660.376	1339965.185	1236328.384	2716723.081	307113.91	1183510.717	502494.69	839048.7373	1058988.537	1830701.118	391411.6348	364781.2753	245200.663	541713.128	203294.4023	2884457.495	451072.2517	972305.8698	1692995.678	7803352.681	4250739.532	1754633.507	2472681.837	485719.2405	973142.6934	2117138.914	1033442.855	4309706.197	331729.6828	1716034.011	3868767.224	480408.0427	439656.624	633088.0935	461041.434	3802946.511	213452.9781	1693757.325	3953086.611	1406096.29	3115047.52	640395.6598	444595.0027	2090162.444	510688.6722	696409.5093	830867.0995	300260.4495	342866.1396	673295.5868	1461838.119	545265.2473	277139.3672	1514375.536	2217944.503	384023.1607	850302.8865	433484.4508	617668.469	1217979.373	178775.247	314948.8882	402762.4376	362878.5446	1564003.233	307424.3535	842468.648	2140865.745	161131.3225	672463.1422	242109.8947	1000209.885	1292877.883	369225.727	273694.1655	651929.256	309923.7686	218743.1989	1656247.416	566580.1626	1821993.153	677788.1457	2515129.254	258065.3353	396226.173	2006823.829	864298.848	414202.362	350308.0925	216802.6158	435246.0705	318156.7622	785354.9261	1938545.637	282102.836	144610.5323	2250814.367	515620.8616	751282.644	268968.8178	294067.6354	320647.2569	202260.7057	385302.0604	368944.373	266309.505	604704.5947	196833.9875	133327.0458	128308.6232	355816.3579	362558.3495	335225.6041	162189.1133	1217187.72	894491.4459
C302	Eicosadienoic acid	308.2716	C20H36O2	Lipids	Free fatty acids	5598-38-9	3	2521482.535	4976220.681	1180620.838	1570710.403	796658.4798	3596530.529	1407828.647	4554573.004	2896281.58	4276226.867	3736254.242	1562320.994	3205667.972	979426.4983	1563050.242	4472447.62	1096160.837	3075206.29	2543648.159	1804644.272	956217.0291	3271113.505	3692670.42	2650749.475	957451.7308	1326226.175	1465724.201	1150860.502	1193227.142	1956997.784	5239281.325	2249730.313	2174688.07	1184624.267	1658703.525	1381366.354	1718401.342	1388244.979	1721559.898	715711.6521	1287369.99	7792033.223	717941.8123	946358.5296	3008866.667	1035177.944	3323420.381	6817323.251	2202727.092	1284956.893	2159483.584	803202.7882	1476602.341	1582003.015	1872108.647	2710118.815	2325056.483	1429928.3	2326407.884	1676096.711	2862640.282	2398141.7	6342037.264	1579413.329	1342919.425	2085014.417	2116811.476	1246568.697	925844.6848	3227622.796	9460694.07	1674188.277	4609412.069	1723095.944	1084847.564	1404508.277	1262054.485	2499452.19	802065.8456	6593359.206	6343859.969	3501426.017	2219674.459	2046798.391	1600351.125	5019329.927	1246610.099	1221976.225	867831.3649	2327617.393	1312399.925	1175236.829	861563.1589	1859560.978	1092711.047	1180105.533	921927.5629	3249951.562	3243936.067	4196032.385	2070830.438	3734030.271	5196948.634	1259774.31	3200357.222	1400225.041	2494878.551	3023325.394	1627239.929	1439151.127	1519378.571	971857.1478	1506907.449	909751.4602	5211691.834	2410861.568	1697095.705	2635849.94	7751012.238	4255738.063	5002136.056	3406435.277	1247067.408	1820265.075	4266746.396	3335525.742	7620654.934	1660912.592	1671877.343	3855884.392	1168605.255	1691966.468	793280.0969	932338.5918	6091855.204	1022776.401	2111208.972	4864731.258	1438350.879	2626960.849	2399303.631	2238548.931	2897080.192	712993.8336	2022399.051	2776716.28	1229612.255	1474739.279	1115701.802	6222921.914	1865568.642	950588.0544	2556450.084	6601004.715	1639773.367	1523026.206	943162.6669	1756620.763	3475844.827	866184.7887	1122685.584	2148826.643	1554778.254	3887932.347	930792.8421	2430123.219	3812140.577	1059887.642	2171957.152	1245224.287	2140163.32	3290775.748	969356.8804	945155.3972	1218574.048	3015798.204	1369549.229	4649630.484	2919291.511	7496394.311	2556309.775	7815882.832	950086.1712	1622085.315	6285596.982	2002539.78	1595019.805	2310393.975	1562849.54	1886257.429	851354.6635	1129185.379	4549339.158	618935.6992	684865.8508	5724415.685	1564997.047	1088387.65	999355.7419	893974.6781	1015271.348	1290246.044	1176564.501	1065734.77	1939608.022	1927248.42	900010.4002	1238474.049	872533.5788	1201187.745	1744371.038	1214128.231	1049058.217	1759513.108	3984714.043
C303	Hexadecanedioic acid	286.2144	C16H30O4	Lipids	Free fatty acids	505-54-4	1	17488.34343	18517.03357	17946.69529	15559.55692	15343.185	13196.55708	13006.24431	13913.71714	13513.68029	12596.54786	12093.64114	14662.50708	12798.045	12205.391	12456.81536	16963.04615	12789.252	13074.77443	11192.9175	12345.86821	12234.605	15240.94171	12779.80846	28580.01085	11494.74343	13974.0925	14423.87821	11869.47657	12318.13143	13088.39143	19887.39386	13889.38286	13833.90929	12918.31386	13112.35892	12094.39086	17180.68243	13201.20771	12231.9225	12880.84114	13217.70286	12993.29829	12456.06571	11402.99747	12330.29186	13767.75386	15589.34677	12375.53371	12710.19464	12514.98057	13020.288	11570.96933	10414.47471	11591.21215	11869.43215	12543.46971	11674.36308	11675.56923	18161.90562	12289.31657	11969.91611	12599.2475	18065.85846	12011.39077	13140.80864	13722.2125	11622.85731	12821.89143	11450.61692	11754.77029	11137.44393	12402.52343	10350.75	18991.42885	11310.77354	12326.9125	13194	14379.84185	11457.55846	11060.11885	14012.22669	11601.25231	12267.37031	13553.274	11127.38312	13246.45015	15590.94208	15721.69108	15471.61846	12659.79385	13479.84969	11563.42685	12069.655	14547.48638	12887.41077	13451.40685	15036.30754	12746.79969	14607.2025	18915.26562	13807.488	12428.58054	13409.36031	13079.60933	13600.48408	11134.224	13411.332	14130.59546	17253.10385	14764.87314	15297.906	13901.04585	12688.36108	13749.94929	18438.27508	15196.26323	13930.95738	12589.62171	17170.66246	15738.608	14105.217	13845.99877	15336.77815	13349.57462	17845.498	15526.60508	18017.58077	14368.40464	13816.01492	12657.21443	17377.03371	23201.47077	15862.54154	14688.25477	16999.75762	12482.93185	18122.4225	13835.46177	15242.6655	13711.89707	14251.87336	13665.792	15417.774	13934.03731	14423.87821	13710.67577	14929.88714	14632.41438	14904.24043	12287.11823	14596.0785	17825.40557	14538.45943	20917.02857	14972.58	11412.401	13434.183	14360.7512	13776.37329	14679.684	15603.06643	14507.83821	14466.38769	14384.39357	13330.14929	13155.03621	14115.02536	15576.07929	13358.40914	13131.49393	12875.30362	14925.456	12587.22643	14781.0148	15259.68479	18357.00429	15385.88731	22223.88969	16350.647	15857.19536	15560.51043	14761.87429	17151.96343	16026.64229	19490.25	14296.806	13556.12571	13552.04357	12351.25831	16748.12492	11654.44431	13861.64607	17573.30286	14532.1155	13157.56579	13945.3665	13441.09643	14769.42	14480.73143	12850.99308	12015.25338	13495.63308	14517.35371	12718.528	14488.794	15045.52431	13589.163	14175.44871	12624.282	13353.4646	15576.24043	12230.33133	13927.8964	13245.20229	13855.68677
C304	Hydroxy ricinoleic acid	314.2457	C18H34O4	Lipids	Free fatty acids	-	1	89767.82164	54940.36927	28977.99482	19834.915	18047.77473	87756.59518	35610.28318	36890.48727	38788.974	39257.84355	39070.29573	40345.53545	52945.40045	32265.65236	37990.50309	51359.37409	24375.64564	29165.01418	28602.9	26986.946	25455.43827	38747.46833	41920.78255	45832.23018	22688.64373	25230.64755	51146.76627	46665.901	47855.59418	47257.24355	50091.76467	56231.42127	39498.67583	26395.03427	19541.18282	27583.53	36629.38873	30919.09164	35290.45673	27960.02733	34945.49164	57253.77455	26022.87282	39490.73236	42761.358	25975.13055	24940.73091	66535.83809	67760.06182	37675.20782	31294.64227	26160.85675	37958.08109	49797.9118	36258.30729	37675.20782	50144.02273	33186.68691	78735.6	27648.21818	19363.99371	43370.46636	46863.74318	29812.96291	34834.1814	79923.12491	44400.81164	50231.65709	31012.739	21527.7275	32357.50643	31755.89391	41272.98971	34601.88086	22916.40775	19806.692	17438.40529	22914.104	19345.05109	23395.94371	29175.20962	21730.28	18203.65275	21142.404	21643.2894	21684.83571	21231.89855	17590.29873	19678.23945	25654.54688	19903.08	19030.29073	21044.35073	20529.27157	20077.4618	20854.946	20201.34327	25221.1176	26567.025	26096.15545	21992.73427	22546.13271	22039.35129	26754.7787	23574.94457	19021.09745	26295.91918	21113.98457	25785.43164	22035.608	25608.1906	21021.08086	22859.82729	22269.11918	40714.58873	23485.44414	24891.86636	21880.66	31337.3632	30574.00818	24293.57443	23879.8049	23886.618	19539.93618	22362.912	24285.12082	61646.09873	22359.37455	26666.56782	22945.04291	24892.4453	35269.43382	23428.65455	23426.82418	27914.87582	23007.21564	22712.34382	45876.39764	21293.90057	24026.62691	23356.099	24626.01145	44135.67191	21946.06	24118.136	28598.29673	22822.36727	20736.83483	23886.618	27580.41445	21298.11127	21713.27709	32685.30436	41983.96591	46330.13764	25257.43855	22992.725	40176.15127	32448.20855	19174.3175	29578.48345	26988.71182	21065.39273	23573.30618	21391.45982	23424.49709	23936.58045	31104.85509	36148.83618	22099.41175	36248.46109	30311.48864	32412.36	21315.96	28014.886	50610.98233	20602.35673	63366.93618	22313.57673	31150.9191	26638.94282	28480.70636	50357.87955	38277.33764	55108.58364	25784.51655	23337.624	42308.85545	22481.39192	40175.23618	22579.96	23318.65509	41377.66564	21599.87633	21675.48933	35475.23864	31943.23636	23324.10792	21324.744	22818.35208	25835.40327	31924.26667	42606.42864	29160.28691	33186.54055	29491.4025	24096.67527	24471.45636	24443.59118	36106.66827	46772.3725	42950.70691	38864.39836	30799.9095	53421.14458
C305	Linoleic acid	280.2402	C18H32O2	Lipids	Free fatty acids	60-33-3	1	798636.8628	1226953.818	244333.3037	554771.6439	321458.098	979191.6225	388498.1842	1213704.56	745622.0788	1289871.56	1187666.299	494743.6585	1026201.555	365104.4368	704083.5392	1573763.527	429549.0915	1046522.181	946782.291	532339.9983	427907.4667	741470.0377	NA	777310.4272	320590.8388	424593.8667	527006.0433	448664.8483	435067.2462	364995.3352	1242149.673	868868.9517	776276.3664	464619.5645	573118.91	445121.3585	357569.7125	348664.4339	611048.256	329000.0555	398058.6895	1519432.96	362706.1223	321953.4325	952763.084	300585.9522	1163795.816	1454541.543	649529.9843	493385.436	349379.1429	219667.9519	490229.0009	393367.2435	625961.839	796878.7583	844987.4855	402393.2041	797634.1175	400417.4631	647025.9349	793462.4425	1514977.214	327013.2142	396755.4727	482986.0556	457561.3277	378690.2624	302807.0272	1114195.059	1771025.321	431294.7581	827265.9295	531074.7382	320443.655	455397.7106	509706.0157	752515.7172	380983.6607	1173981.729	1311805.609	1002814.523	662675.7101	622560.0468	582799.5091	1336975.867	418441.2	403021.4949	274528.4464	783007.176	473810.0342	516437.3858	276628.0481	524626.5131	381938.4572	355758.0098	325318.8015	1039949.652	1078092.97	1038028.725	699424.4408	1134669.305	1270715.173	375777.1071	942435.4173	511010.8975	766397.2364	874730.1517	592041.968	395780.5233	561174.471	321638.7857	639922.2276	338562.0274	1176940.454	798453.5877	542604.2276	780590.4925	1735985.413	987747.2509	1120767.534	835089.2095	496868.31	670959.564	938975.1735	950738.2909	1580423.209	631121.7355	642446.9808	1017618.648	518811.4068	555083.3913	281196.4231	350797.0255	1356263.055	342133.6473	843694.761	1316834.997	538444.2204	922259.3607	884566.104	740832.9565	957255.208	405050.6171	633153.1623	889700.9857	521496.2836	481795.4924	352199.8707	1578243.611	715990.628	376213.944	756626.7137	1417674.599	349923.2433	653041.1295	431952.0763	444182.8451	1127168.636	399990.2773	350117.9495	530918.9869	475877.182	1157576.871	383433.1156	1014680.722	1146831.982	373097.702	546063.1796	535538.6838	809935.5971	NA	385824.1543	403189.5262	392757.7062	705822.7447	535007.6418	1199206.444	NA	1472143.204	997140.9977	1558871.776	415232.6455	518012.04	1662312.059	833341.6069	524968.2502	733953.7691	518609.7316	599355.302	347942.6011	708464.666	1222687.971	317068.4216	292069.6818	NA	636957.4331	472647.8738	373712.6228	307403.1505	384534.6264	637896.532	403986.0731	345541.808	518096.5662	591816.8165	NA	381144.9687	340676.4197	391993.3577	735174.6276	423710.7987	389397.912	568798.7007	1244932.097
C306	Methyl palmitate	270.2559	C17H34O2	Lipids	Free fatty acids	112-39-0	3	64599.14017	126631.1759	21203.37306	15140.56139	NA	133035.7263	27493.79368	83336.74269	37676.57567	56101.23123	52425.70737	26809.60696	104659.7204	16093.56	38402.66835	78920.30095	12475.99569	26468.03304	25302.40687	24422.20976	NA	60369.31224	73017.91311	32999.28947	NA	11785.44357	87091.00225	48139.60938	59947.66863	20201.05774	104153.6719	71148.49706	70459.5065	21344.25109	17274.20625	16407.96024	25301.13212	17163.1187	44992.11544	NA	16859.1792	129922.0107	12111.64424	27420.92296	34002.36	14598.31652	41267.61044	103473.4712	48282.36	37563.03363	16070.85371	6482.69875	58601.9645	30499.68421	31018.90647	40798.2635	61560.96376	26631.5544	45524.02924	11249.6845	29015.712	64486.5906	89324.39589	27632.68583	26313.37094	54611.48	40228.81579	34363.18494	18114.61235	39349.72612	134930.3634	28271.69006	109307.5746	28605.12914	19020.54629	12224.316	9083.369143	26034.04375	5075.321143	108893.2997	60823.776	49782.74629	28262.676	16655.496	9048.936	88070.0346	19293.49895	15258.60571	7522.837714	33150.8235	10218.15771	10144.89143	4360.5	36980.15778	20238.1745	6635.4375	7174.272	47107.41917	18841.17486	29914.77637	42720.6977	41078.37714	97240.3866	7360.928	35571.4879	8467.661	27189.3156	22298.7396	33773.71181	16707.1342	21043.29848	5151.06875	27072.5	19993.876	114416.9233	18639.006	30486.90388	41649.9396	125898.0276	131406.9745	40545.11771	42574.0234	18409.01657	21086.676	41279.60444	47199.7295	202849.2011	7699.873714	38942.19647	71587.3335	16660.78421	35360.25055	30248.94881	22375.28006	84101.12	3314.6464	37834.05847	153312.9552	31870.2865	66780.27169	23427.48586	8657.004444	49548.45847	19394.64713	27030.49486	41300.91789	4784.29125	15202.53164	24032.164	73674.64737	24405.0107	NA	48737.502	29870.20125	21271.8642	18276.595	NA	31185.32141	53051.17082	NA	25847.86971	NA	NA	67460.8	15538.17635	22966.18737	65999.0165	NA	68139.01518	16481.66365	13908.02625	52838.06788	23116.49053	12292.80417	27410.54106	28225.22713	3702.182667	111099.5265	33663.87687	79530.23535	24410.3	76513.80256	37824.65789	33379.37264	150192.7192	16137.29684	7713.712	30623.95141	6544.95625	26066.73972	10350.73684	25964.67362	46646.67882	11810.17043	NA	67462.168	24442.09071	17589.646	9702.671875	11906.83257	14040.3	NA	29279.29765	21312.566	13404.33913	27666.04341	12945.653	10399.78265	12450.00762	22731.97447	34852.39065	18533.31341	6134.304	38672.1065	64292.76
C307	"Octadeca-11E,13E,15Z-trienoic acid"	278.2246	C18H30O2	Lipids	Free fatty acids	25575-00-2	3	6582279.359	6333376.316	6652988.291	6360916.083	6441872.618	7081244.994	6298258.169	6829538.979	6054994.692	5995408.032	5730969.476	7229224.51	6134930.96	6490670.359	6364461.91	8000782.599	6445158.513	5805260.888	5727624.063	6503911.033	5870658.795	7770004.142	7239121.915	7567857.57	6518578.275	6540382.465	5704910.087	5795960.427	6136805.779	7455103.465	6569007.943	6022423.609	6261398.092	7582961.709	5071615.124	6581031.391	6129156.983	6535624.467	5969476.366	6268690.182	7107568.93	5901704.172	6761478.092	6948882.125	6443610.513	6873292.103	5733383.433	7004004.999	6087002.347	6875952.76	6247819.396	5996946.346	6633888.204	6687388.004	6266797.085	6118801.336	5370912.714	6361677.943	5842342.624	6036186.374	5113034.555	5560232.175	5050137.519	5369485.818	5972078.906	6183590.993	5272777.092	5314408.94	5310465.733	5052978.313	4920562.304	5349180.379	6398717.537	5325323.634	5588683.975	4666921.183	4520618.327	4444214.164	4323606.723	4345181.708	3903892.928	3975247.918	4109978.409	4379551.963	4257147.6	4286901.373	4101835.498	4300217.589	4325914.644	4276114.106	4200953.51	4258444.41	5549790.8	6954043.151	6560954.942	4245489.845	3998021.433	3820317.361	4325766.299	3813271.865	3875139.648	3875299.105	4072688.1	4151755.362	4097112.532	4198654.599	3963201.129	4292403.847	4048127.606	4288460.633	4358019.699	4198382.072	3995519.774	4496368.839	4274441.239	5736453.934	5513091.188	4391607.748	4164336.242	5929844.737	4040629.825	4100496.048	4187342.192	3939844.744	3935203.389	4310280.181	4497935.599	4294826.921	4337424.945	5087672.852	4467851.829	7350863.005	6066441.161	5544332.084	4593972.105	5836680.664	4183723.264	4388793.104	4019710.075	5854043.008	4594012.453	4367272.459	4781482.771	4734794.688	4467301.757	6109026.912	6100927.684	5352828.027	6463978.859	4164487.375	4204604.943	5986945.99	6217286.505	4158169.701	5517339.744	4160880.288	4896951.661	4930297.647	5368507.574	7070855.518	5521212.036	5339473.176	5113047.692	5044934.554	5107085.245	4753992.119	4860583.087	4930093.256	5914770.074	5883551.889	5358713.094	4767368.393	6173933.506	5053815.97	7183650.835	5756008.962	5131241.256	7100899.533	5217021.241	4324450.319	4800443.996	4760812.77	5244515.171	6032658.761	5097602.654	5309832.179	4960955.23	6617335.824	5518275.611	5788513.087	5309455.743	4898584.401	4299012.117	4917861.302	5541653.605	4780473.896	4762992.419	3917893.92	4467766.938	3787317.755	5216822.952	5135717.342	4729093.45	4573170.998	4738893.148	4480519.88	4817043.228	5247134.081	5794026.109	5427796.248	5274590.985	4472559.376	4604734.597	5098313.024	4803134.932
C308	Oleamide (9-Octadecenamide)	281.2719	C18H35NO	Lipids	Free fatty acids	301-02-0	1	10710.5223	11950.5003	10197.52109	13361.09673	9748.2363	11718.77382	9900.3072	10061.84945	6573.862909	9650.553818	9845.3954	10130.22764	10386.64582	10084.4145	13187.0088	11566.16945	10676.11745	10568.8362	12393.83855	11053.33309	10287.0834	13493.9563	17362.04655	13093.3554	13948.13673	12103.3743	10982.2983	11542.8363	8779.758545	9154.864727	9958.222909	8304.464727	10558.71418	11033.2563	7008.3994	12044.81673	8282.251636	10887.37164	9070.365818	7340.749091	12693.05927	8779.758545	34691.39927	8301.111273	10289.136	8947.351273	9207.122182	10013.35455	8077.6923	10386.64582	11133.54836	NA	9770.0757	11971.30545	14610.54182	11835.96	12721.75786	17036.424	10887.37164	NA	10938.12073	14642.80436	11392.6445	11188.39821	18347.488	12765.088	12391.17091	10871.62364	11733.18982	9284.7914	19912.7583	13126.6401	10934.08853	10421.94327	9657.3903	3235.204267	3145.3128	2865.931636	2854.295467	2947.416267	3351.58	3356.546182	3688.2498	2510.529455	3291.2	4009.953818	2852.121818	3212.736625	3609.451636	3511.837091	2982.2434	2632.752	8436.312	15718.68	8693.953455	NA	2686.031786	3020.937818	2709.994933	2563.142545	6236.041818	2947.9203	4605.044267	3245.0665	3839.434909	14560.296	3514.638545	2981.8923	3472.5888	3952.087273	2390.8486	3862.093091	2488.0317	2910.4335	4361.4597	13154.56291	28281.28582	3346.4603	4642.878545	9353.826909	3625.179273	3881.452	3243.9232	NA	4179.910933	3079.275636	4219.25175	2825.134545	2427.0563	7927.3854	2888.457067	11452.51018	8390.152	7948.085714	NA	8575.671273	3220.100364	3879.7275	4266.798545	9172.603571	3736.867636	NA	3668.489455	3106.178182	3134.362812	11776.312	11597.85891	6777.3537	10460.1056	3729.7154	3275.008	9889.342857	10938.12073	4250.210182	11135.9826	4256.157091	8437.867636	11875.13418	10306.6672	11880.73745	14281.51607	8946.571563	11320.6925	9252.206933	13460.7312	8012.450909	7531.856727	8305.685714	13104.82364	9102.696533	10238.83787	10852.41013	9617.2704	9377.070182	11026.51786	11200.54286	8193.1696	19346.20533	10131.7776	4422.472533	8958.4096	10293.5904	10280.1375	NA	18793.70893	NA	9838.257143	10756.8975	14707.19464	13545.6	9973.648929	8521.806923	4625.960533	NA	12885.29036	10144.80427	11798.91253	NA	9515.8536	3896.7952	9905.540357	9599.857143	9524.932267	11506.09179	NA	10025.57143	NA	10664.48582	11589.392	9685	8653.005333	12357.44893	10999.0496	10379.26	10833.19627
C309	Palmitaldehyde	240.2453	C16H32O	Lipids	Free fatty acids	629-80-1	3	31441180.06	112223435.9	111486421	105034627.3	111645666.6	108901997.8	109990786.4	105910834.6	109570668	109306756.4	106645803.9	107625148	114297027.5	108416143	114556009.2	109429096.1	109571433.7	110181879.6	109862076	109669654.1	111108756.9	109351630.7	106129179.5	109009935.1	103728365.8	108094150.3	105557788.7	106621426.3	104991076.9	107286854	106827326.8	109332744.6	108469637.2	103291369	106533192.1	109099046.2	105174107.2	107919067.9	106226377.4	108756152.5	102812387.5	103209932.8	108081586.3	106377150.1	104038044.6	106005620.8	105888766.7	101984713.3	103525202.9	101741007	91168988.11	99702775.04	102260949.1	98611705.03	104424880.5	96817509.45	101165681	98612299.1	104764287.1	103673728.5	95735532.21	98215703.63	104189026.3	98094844.46	94131152.48	95246330.61	99429276.24	99317255.97	97071995.85	96162605.4	99238858.63	96497171.95	94023973.65	92216213.65	91594686.53	96528202.87	92013917.94	92251704.22	94677489.06	94233907.72	96956885.28	91147638.58	93162285.11	95064041.75	93555356.81	96038438.65	98226164.35	96049506.6	93533150.35	92324179.8	91641859.7	94728059.26	92353305.56	90335011.54	85685938.12	93986364.96	104201051.9	103602336.3	103537626.2	104266265.3	101877480.3	103688381.2	105718932.5	106300713.9	104017819.9	100700005.1	107501958	106836576.9	105212413.5	104192018.8	103307169.6	107281578.2	102647333.9	105236722.5	103449670.3	105151869.3	104075675.8	102822170.6	103065904.7	103730974.9	104009922.6	103241237.1	104683135.3	105625622.2	104689937.6	102306523.6	110440708.6	107464364.9	105647745.8	102363336.9	107247919.2	108309091.4	100139299.1	103936598.2	107947984.5	107640901.7	104587264.3	104101711.9	107859971.7	105471402.1	108168978.2	111282334.9	111783750	109015839	110824807.2	112811473.6	108135324.4	114473577.5	112730582.3	113110495.6	110857442.1	111129276.6	108677125.8	109378470.7	113068708.9	113714830.1	109386269	116276318.3	115224222.9	113752876.2	109928137.1	110922157.1	113065572.4	112786491.5	115658307.2	114449782.9	115140064	114666467.3	113965285.7	112023008.4	112404446.1	113646175.5	112112308.4	112210738.2	113065467.6	114806003.2	111925333.2	113318691.5	111804567	112616461.7	115864662.9	112758240.2	114790418.4	110783263.2	112102249.3	112482998.8	112695763.2	111895490.8	109064901.2	110276570	110157685.1	111835313.9	110594436.8	112312922.3	110974070.3	110645101.1	107984795.5	110587532.4	111107564.8	114054352	110808972.3	107172250.1	110766580.6	112744003	110530125.7	111316084.8	110472579.8	109183763	110367271.2	110188115	116525455.7	111442243.7	110799406.7	111240627.9	112892250.2
C310	Palmitic acid	256.2402	C16H32O2	Lipids	Free fatty acids	57-10-3	2	127177.8148	144870.66	93059.53708	86811.49385	83366.4	126113.1866	102805.5406	128982.6831	107686.3761	141868.2808	109446.6071	113035.36	116596.8948	90358.35	106839.7849	139200.9142	87592.26369	119634.3884	113494.9157	101860.9345	97823.54	111921.218	126894.581	114318.0169	84661.28677	115632.7603	118786.145	115351.2	111131.6663	95770.725	108771.4639	119075.1277	117763.83	108646.9238	84558.40314	91192.052	95321.06114	93308.62	120919.9212	82821.43785	95834.514	120009.7184	83849.18431	95850.69754	117943.0677	84077.56862	111679.7155	134312.0036	130887.7994	107811.4127	75736.58875	69074.304	87536.25833	87443.136	89303.816	108073.5206	98131.87667	92391.50631	106283.9951	78481.82958	85358.94167	100462.7325	120549.952	80771.451	81837.58154	102197.8615	96085.86646	97544.35767	78505.87992	81300.86369	112228.1723	64810.23292	94579.22508	81875.51217	62167.57167	73960.115	69458.34	69050.466	64338.14333	75936.24417	108199.3846	84781.08977	75203.273	67296.86283	73825.92833	93325.294	66314.85	69933.01417	72719.052	82721.70831	66503.01267	66198.948	56562.002	65131.17	69487.52833	72752.22215	70694.43915	97980.06015	83622.63525	89473.67262	69505.422	91607.46367	87953.665	63149.56523	82441.668	80624.27158	81858.43831	86150.96583	86657.2405	76524.19425	71790.138	74207.056	66426.094	63064.662	101510.6932	81120.714	74506.902	79852.51575	125292.6182	96422.04554	100343.0329	73757.187	73623.449	81801.40208	75765.9765	85433.23875	125763.9869	74011.625	89704.93431	88421.83585	79500.79292	92131.60092	72736.39833	74493.636	103674.4222	73734.108	95280.10154	106943.1554	80686.41231	88951.4115	95239.63346	88663.02583	98707.01738	89030.0385	92231.77846	97068.78277	94093.34146	79584.08615	75378.55415	121319.7897	89460.51469	74350.86083	99341.88	108375.9964	89857.36469	94649.73562	85212.38346	100008.1994	121034.0083	70141.05692	77637.06477	88169.68	79784.01623	102748.2358	85294.71369	106453.6715	88382.54215	87389.00585	110474.2025	83449.02846	111346.4507	107749.0357	89600.07877	74113.164	93835.44185	93797.43846	91256.44877	114514.274	94893.9	107214.0571	94614.73485	113569.4225	100090.1354	103005.582	127802.9498	83802.89077	90116.14154	108213.0162	95044.62286	81892.55385	77898.15138	90193.98877	113798.78	80330.11333	78207.71538	107884.3925	85123.845	77020.34746	79720.564	70662.65792	81116.26869	94686.75692	96337.59477	80969.26	85846.37538	80820.35123	77889.66923	81587.25415	81473.46554	83550.79423	99622.40771	90190.581	92144.556	97298.24143	114952.4091
C311	Phytol	296.3079	C20H40O	Lipids	Free fatty acids	7541-49-3	3	14774.75362	12821.35246	NA	9004.05	NA	13459.55585	6329.367692	10145.36792	8599.059692	10221.48133	11520.59667	NA	10263.24969	4397.22	4654.233231	17821.90092	NA	5765.471846	6142.070385	6631.221154	NA	12699.85071	19177.53038	13968.46714	8858.885769	5955.756923	11214.25625	8036.023333	9609.844667	6498.740385	11441.856	NA	7096.500923	7017.345308	NA	7897.552286	6646.465231	8345.804769	9576.037769	3262.392714	10027.68225	9026.233333	6544.466462	7889.719385	8392.042714	7044.431462	6416.874615	12758.58715	6328.837846	6417.492692	7073.052583	7150.945231	6976.318	9052.826538	6149.305923	13936.69231	NA	5909.583385	9693.145	7429.084923	8920.695	8300.4075	14996.8	6493.102923	11803.63043	14062.19646	6316.647077	8389.477846	5064.272417	8857.021714	6711.238231	NA	9946.320615	NA	4004.059583	NA	9325.14	7139.64425	NA	4612.962462	6622.357846	6372.198	NA	6803.893571	6882.197643	8677.293333	5662.720643	8071.133538	NA	NA	10874.983	NA	7464.842143	7754.549385	10130.15392	5628.244143	5282.712	4833.779167	NA	8661.413429	5884.910923	6401.599286	9595.563214	NA	6516.363429	8343.454167	7501.144308	10063.405	NA	10437.17662	8371.873714	6865.125333	5937.106286	NA	15309.9284	7031.081857	8406.300857	11555.45838	12886.43815	7804.136154	9183.624214	11485.528	NA	5407.767231	12072.08667	9462.444786	18570.39485	NA	4769.947077	5223.666615	8086.755	7583.805917	5873.572917	9023.211	8373.662769	8040.435462	7336.264615	15655.134	9951.034462	NA	NA	23725.93391	4456.873385	NA	6744.760615	6580.342769	NA	4406.387538	NA	10451.68754	5586.707286	7319.378667	5136.557846	16318.36185	4398.597	8612.158077	NA	NA	9702.768231	NA	NA	8637.3804	11464.17257	6954.937231	NA	5015.613	NA	NA	8309.357692	9125.278167	8598.617571	10535.84792	5437.884143	5859.969214	7168.526769	8840.937231	6445.996429	20205.283	4975.481667	8990.524692	6665.954308	6006.687143	7413.448923	NA	16461.39458	5994.838571	4964.210286	9086.47975	10178.45008	7593.324429	8120.59	8304.506462	NA	NA	NA	5665.900615	NA	4723.747846	5411.106	NA	7068.684	NA	7808.743385	5470.924308	6323.017857	8534.595692	4830.690462	NA	7370.937	5004.217538	7702.40225	3653.218615	5553.542846	6602.130538	NA
C312	"Punicic acid (9Z,11E,13Z-octadecatrienoic acid)"	278.2246	C18H30O2	Lipids	Free fatty acids	544-72-9	3	7546369.194	7799467.995	1187449.875	786084.8165	488492.3093	11780097.49	1331274.252	3633962.508	4427075.509	4951953.521	4997915.076	2644349.49	4561496.183	1430231.239	1953265.32	10477944.64	838573.5587	3724444.917	2781785.511	1597293.729	785294.0728	4615762.765	4640442.521	4244453.4	1465417.594	2227494.489	7344635.635	3670900.853	5795380.649	2288536.76	4477956.702	4369937.409	4184745.642	1936287.185	597839.788	992408.1369	1845287.889	1522479.954	5226103.929	678773.0347	3980565.398	5137821.77	880770.0887	2947213.587	3598711.004	835910.4215	1457445.411	5836503.529	3202431.65	2651898.062	1597088.929	1651655.34	4373407.489	3489057.565	2909509.889	4879558.106	5078832.421	3134064.134	5351210.186	1567980.284	1644636.118	5817274.586	9871881.13	2648181.567	2401368.302	6981352.186	4853975.058	4248232.632	2401134.362	562691.0213	2037834.407	1827242.506	1630397.929	2113170.037	1076964.945	759522.988	870596.5992	1268266.472	613121.7969	1221231.977	2114464.021	998801.8214	624340.1908	840516.4912	585088.412	1961578.368	1132940.075	545554.48	498142.5065	1994616.67	1673401.634	789812.7931	522368.1831	824363.0898	1056614.47	450925.776	620790.0785	1697200.498	1454425.265	1528699.449	1060273.057	836587.1851	1251267.361	776048.7992	1237346.985	743679.5055	1897821.54	569729.8775	753582.3415	556806.1384	1002371.96	372026.9619	760383.7793	615105.288	4675522.958	884547.6515	1327332.563	2366572.265	4577563.439	3163382.536	976843.162	868575.2747	566131.7722	552754.0506	737599.3071	715369.9962	15472901.52	1056384.403	1554684.422	1666144.13	1051677.285	1947468.433	1705766.167	459260.5565	1193275.151	758286.1892	973623.6462	7378878.434	746962.859	1012299.059	903479.52	824175.2811	2132664.997	475913.9129	713822.0424	3258910.555	573845.0986	553964.3214	771545.5114	1662912.092	1070723.72	696108.6421	1896326.867	10059666.18	1352742.122	750696.0161	712308.058	1150827.743	3523535.58	443250.3314	1559701.721	607511.358	712142.9724	1601254.969	637191.7279	1365150.056	535757.84	1010597.954	4660580.208	545630.0599	2767164.674	2749467.462	2352379.247	634037.9855	997462.1029	2687372.041	670141.7556	8253570.593	465747.5355	1878477.142	680980.7807	843864.9089	3807003.966	1438751.33	10354785.47	844147.7787	1032860.836	3192444.123	1593813.468	1637378.889	1391857.835	807521.8257	5240754.73	627290.7643	612347.7413	1978259.077	1761975.786	738722.5979	571886.5776	617242.368	1218341.151	2588772.909	3480998.462	1529539.281	1334800.73	2452347.404	941377.2714	880211.0722	1898352.243	1498065.397	3702351.618	1149013.429	1127612.598	1455074.702	6222991.821
C313	Tridecanedioic acid	244.1675	C13H24O4	Lipids	Free fatty acids	505-52-2	1	46917.612	47891.584	54869.2955	57206.76325	57960.8	56472.375	51547.84367	53716.89508	50892.4265	51724.91667	53571.79333	45730.7385	48784.97933	46791.25	53571.79333	45818.5055	45217.4905	50888.88525	48136.13667	48277.13625	47380.53354	45346	45821.314	48581.05954	47386.2235	50330.0625	50607.66667	48881.57025	47652.42125	51120.9815	50798.8305	44088.63575	44895.8205	41940.794	48268.72246	49578.68342	46966.81442	44556.75	46914.505	49580.83818	45347.70833	43607.5075	45720.97917	45036.54017	47814.54167	44975.29167	45349.56008	42416.20833	50054.77875	46047.27083	41970.57275	45059.819	36163.79314	46325.559	49486.44242	45292.28025	44972.145	43792.072	44517.627	44040.80708	47878.34513	41574.21442	44220.0255	44048.547	42693.8125	48584.8675	37888.653	45299.61	42033.804	38759.98867	48744.37575	48722.34325	46640.67867	53637.84118	44967.478	42986.286	48931.79167	47036.089	41727.77812	41892.68571	45296.281	43253.17325	45437.23338	40492.998	50004.03975	44881.33333	49669.965	49619.55542	46626.72225	42045.4	47201.6865	37571.688	43625.03975	40180.85417	38031.255	45909.9275	43060.56938	45380.7615	47438.35058	49627.9125	39999.36325	43744.607	41152.86	47439.20467	38148.052	38242.982	45160.64583	46464.95833	47349.875	40963.818	49299.97375	38931.39086	41111.594	47070.5625	44778.481	50939.438	44371.39583	49629.51273	46096.18425	40081.79875	49725.945	43713.69317	42649.39583	45259.01925	55391.294	56194.77083	55105.31536	54511.86875	49018.595	58488.801	55922.13	58561.93192	55230.34833	47820.915	50280.792	53353.8125	47401.47825	50754.4095	47903.1735	56938.75	56081.696	56858.59725	50329.20833	58742.02445	51079.09692	49398.48	49074.954	53396.43592	48651.625	49072.72917	47925.65462	48700.3125	50192.775	47445.89925	50897.9405	47208.825	50840.96325	55170.625	50231.20308	46094.12217	45575.59483	45674	43863.89577	48751.72117	45017.68917	50053.4125	42927.85417	50239.29675	48137.649	51909.02862	60494.58058	55699.4225	101081.111	100544.256	100519.604	104147.5972	107752.324	97316.25633	89327.72175	77757.18923	64779.10067	58360.67792	55030.54167	52328.8125	53260.02733	48978.77083	51683.8335	43675.23975	45100.47867	47345.2245	46610.44275	52893.9075	47751.62062	55965.66338	47571.644	46190.15175	44837.14967	42446.05575	40785.60417	42331.36233	41903.70833	72253.10417	43985.55	45859.35417	39649.46475	41863.04554	40400.5485	38736.64	45528.62025	41853.49967	41561.21025	40119.755	44362.48075	44829.98008	47768.41667
C314	Undecanedioic acid	216.1362	C11H20O4	Lipids	Free fatty acids	1852-04-6	1	18133.58608	23941.88133	16676.422	20103.59264	17401.91	18189.44433	18616.18071	20737.49992	18373.72714	18139.4675	16739.331	21142.23825	16496.80817	16142.903	13167.31223	19382.648	14896.90767	16323.861	17939.586	17101.95667	15106.43592	21061.09425	16412.956	22660.60867	15425.24742	18816.79067	23973.957	17378.317	14467.12608	16897.41717	28201.91	18301.60075	21138.4635	15617.83483	23860.74533	16700.53	20499.5175	18697.38225	18596.772	11848.74857	15744.05892	20260.33533	18417.872	19098.53571	17980.046	11512.10675	15072.105	23650.8965	22293.705	20857.69417	12306.0212	14787.90263	13689.02155	20307.40071	15344.1085	13505.2785	16082.63682	17104.49	23444.25613	16382.457	20614.44	23334.6675	17460.32925	15199.29315	15263.976	24903.73771	16702.1435	12310.176	13204.73573	13905.941	13506.9655	14699.83733	26981.10067	15162.508	14497.14383	16038.98846	17568.528	11902.088	13908.78425	16136.456	16842.16486	11339.36417	15633.50286	13944.05786	11255.96	13906.7845	18099.33825	15309.216	13122.54	15623.678	15364.006	12310.176	17972.19	11764.94073	15743.084	18740.883	18064.6875	17979.2025	14947.34775	18062.01125	14148.43487	15023.5785	16324.15082	12810.4702	14388.868	18082.30518	18059.335	16861.565	16303.168	20775.405	15404.6016	17743.96462	14347.29643	16543.48625	21355.48071	22771.9695	18740.883	18515.29167	19097.6835	17082.87657	14622.916	17660.3595	14306.19275	13509.00475	16381.6135	15068.952	23716.6475	21657.541	17456.07233	16019.6885	17595.93413	24049.872	17104.57118	17262.20892	16465.02913	20100.89025	19441.877	19497.5025	15541.1355	14827.842	20713.83	21416.87942	21140.54775	16603.93664	14481.93462	19034.92325	21973.89333	22346.94927	17821.39417	16465.12	16945.875	19737.63683	18459.86058	21677.6	21497.441	17742.113	17244.898	19655.57	18162.71308	16985.67642	16142.24333	15583.80975	14145.23	18114.72923	17289.49825	19849.09075	13205.58018	17180.38667	19659.4545	12496.224	18599.00992	21880.4805	21335.068	19314.92933	19102.43169	25168.39675	20699.84783	24848.81667	14507.208	21281.83325	15302.43	16238.14338	18141.998	18419.688	22711.75025	16543.61792	14865.43667	18624.78533	10694.8905	19488.9695	16337.83725	15378.4785	22054.50242	14966.229	12415.72475	19234.25	14630.02367	17048.752	16144.68183	18400.00962	16418.90933	36666.44667	17511.95755	19978.854	19447.60533	19153.89583	15984.43267	16143.83842	18145.58267	13858.719	18433.69212	20514.875	18222.01708	18780.35892	22132.44
C315	¦Á-Linolenic Acid	278.2246	C18H30O2	Lipids	Free fatty acids	463-40-1	1	34821011.58	52321925.64	11650224.39	18358482.43	10604443.1	46633637.43	16974155.2	56563840.07	38764250.33	63081549.63	57174723.09	13106823.38	50617967.92	13342104.12	26766796.51	52285251.41	16407183.66	39346488.9	43965117.8	18743397.96	12116030.08	31563645.42	49507399.67	31295945.16	14019445.07	12598350.09	21284614.74	18844712.51	14916371.19	13248633.45	53488067.7	36420495.12	27596634.42	13924887.62	25284964.48	16617880.49	13383888.38	16906025.2	18851229.63	12159946.23	12621077.51	72292415.17	11166819.56	11100158.88	42365822.82	8133535.248	53501029.02	68101745.67	26209692.11	14388162.89	18410892.82	7582552.985	14803100.4	18363239.43	29854370.75	31609005.42	30368023.13	14880982.56	27105342.76	15002778.27	31045689.26	32108888.15	60703425.92	15769305.1	15966469.76	27441291.7	21954945.71	11508001	12859628.24	39527555.48	60610525.81	18696486.62	44041388.84	20501711.17	14591525.63	14719966.29	30283216.9	31641412.27	15566302.79	53297591.39	52429754.38	42470172.75	29919664	28924133.83	28478965.46	56739340.44	21480624.15	17959744.32	13538469.31	37035898.31	29013920.16	18271781.66	11323815.8	26808981.85	19932969.37	21004595.6	15571234.7	44219765.32	45879014.19	45389881.87	31747000.28	43901059.55	58339950.25	18990867.62	41535323.49	29777113.12	38541988.7	35757233.08	26476512.17	18588746.34	26404017.44	17735454.59	29794531.11	15901045.6	56333796.04	29260540.75	25391436.43	37915897.34	70051144.02	53623575.82	53171184.41	41555023.07	19860431.5	32499816.02	44207845.11	45061136.19	66495110.66	28445282.29	27463428.8	48420075.58	21887071.04	20170337.73	13231250.3	13421460.75	55527575.03	16259097.86	32880366.43	58654014.48	24861468.96	40947980.56	33970746.82	33312992.4	42900189.12	17898252.61	33195527.95	47524809.35	19877210.87	20555670.37	13294709.71	60618635.96	23232953.7	13166184.53	38351075.27	69860969.01	15062347.78	27545428.72	17934415.22	16998894.18	48416995.16	14042461.5	15069019.41	19793099.28	13282960.27	50438549.47	14292648.75	40582802.94	50434877.54	18040881.41	26137632.84	19388414.19	37741605.26	49073563.44	18360629.82	14738755.45	15071085.79	29254600.93	22005141.56	44165541.2	48845920.94	67797678.75	41694132.06	66598531.35	17846576.53	21121361.03	69876195.16	34291912.91	17258457.86	28611808.09	13443414.59	30003645.94	15634591.12	27652795.29	55346714.22	15946969.1	13651477.72	59750346.05	27475824.11	19640794.43	15094757.53	16628043.25	20329094.88	26195016.75	17057218.39	14636375.23	22820483.17	24826634.88	13255419.06	17117900.74	11575214.97	17711195.75	30779677.62	15543689.8	15890557.75	24210468.26	63439598.33
C316	¦Ã-Linolenic Acid	278.2246	C18H30O2	Lipids	Free fatty acids	506-26-3	1	512999.6928	464113.1005	99497.82833	257859.734	153885.0955	714882.4116	241647.7938	887085.6806	343225.5353	529100.3767	876139.1608	111958.785	799386.6821	108205.4784	258454.0631	813636.9823	233504.775	598878.3404	403412.1845	274992.361	95739.1046	469902.2631	753897.2471	461921.3438	208673.3531	100210.464	306740.209	274688.7029	137630.8652	183632.31	856966.1529	536978.0756	404705.5259	192839.1491	364423.2427	247886.7079	199959.9341	237915.0956	261801.5372	95462.02117	180335.0927	1185105.773	159450.876	90934.9408	651377.8722	124406.4198	852832.9491	1068791.623	387399.024	205066.5453	270001.605	126712.7907	238477.54	263474.7286	430986.4266	494682.212	454827.3523	205811.0266	408575.6986	214738.9723	458400.2702	471826.4615	977235.6593	229430.4446	229506.202	400477.1751	323445.984	178733.3792	183799.4301	610290.9545	1057041.052	274945.428	691417.1357	297612.129	213781.96	228672.624	432680.3138	474913.0274	225074.4618	850038.648	861941.029	680626.8345	454096.7939	438175.5169	426014.5687	922473.42	310340.8448	249720.1463	180424.7815	576073.218	433677.78	272131.3831	159111.5179	393908.3123	290884.0989	277290.78	213470.5673	678160.7555	703265.232	707668.138	470752.3492	678890.413	972041.8311	278852.7212	656140.5123	442880.4231	600466.4762	491596.7265	393072.075	259070.2345	392775.942	247959.9323	435704.0585	239950.378	911148.915	418018.6123	397752.0492	560025.0955	1234830.395	837399.4175	838568.784	627227.8391	295187.5752	493553.1988	675628.128	688770.08	1103204.115	413394.3886	411953.3215	803999.5605	318515.9724	279285.9225	185244.1762	191047.3122	886969.7112	229054.6892	472868.964	948676.7873	368759.4295	610134.047	495634.0116	495132.8016	673201.7577	256577.8033	480740.2056	725654.5842	287910.1536	313567.236	188814.1626	985062.3212	343034.7569	198752.6865	588053.3465	1199967.865	218674.788	393855.8748	254918.34	235460.0924	765165.2278	191527.4994	222862.6447	298248.5528	192326.6539	789453.8778	203831.5319	613498.249	782369.2537	253576.4102	377615.7792	268573.8701	550186.852	768012.3859	266659.0611	220163.2213	219208.3912	428550.9515	332277.1279	666890.8168	775574.797	1142991.751	616954.221	1154660.102	259095.036	306781.4764	1194078.021	500070.395	246616.0608	431764.1304	194175.2559	450495.019	236001.3264	398372.0136	892982.2055	231191.1056	202529.9904	941234.1577	412016.0422	285817.6823	220717.476	247792.0196	303682.5624	374575.3569	254206.0305	211659.8335	320043.1105	351783.6341	199130.1968	238117.1904	169232.5032	257737.8189	445598.3693	230491.834	229289.6485	345517.8716	1007809.017
C317	1-Linoleoylglycerol*	354.277	C21H38O4	Lipids	Glycerol ester	2277-28-3	1	111859.0547	323490.1865	61036.086	173250.2829	75694.74314	198539.019	38539.572	319639.8054	96707.19612	143614.4212	204555.7452	66167.56687	189089.6844	34210.67	50031.3248	178963.911	101919.1445	145646.424	120313.674	62843.4785	101732.0398	138822.3226	219390.966	168111.2123	96095.99486	94114.73777	88097.922	54943.82379	47384.59575	79832.00688	293103.8056	101293.3556	169854.553	76501.152	149056.5098	114806.2622	126566.172	66393.35715	52315.13875	90883.64062	89159.48054	190162.0571	87421.06069	80336.42908	148069.5415	45910.72123	156720.6533	185399.6031	90850.956	61993.722	159984.0654	106739.49	95703.076	180869.58	164753.6313	108954.2735	153911.0465	101921.9668	118225.4507	145400.5606	185197.9253	125761.4375	539170.6772	69173.33554	113937.744	147909.066	99567.42169	79168.48731	98511.04738	227717.4521	321407.1962	98913.03908	195325.4758	38663.36062	72928.296	165424.7684	232206.344	222624.4874	142969.2785	323011.1694	514172.4486	237294.7066	211471.476	300338.3854	305803.065	549273.8241	234246.078	251238.2342	174765.4277	327628.56	169765.5147	208499.4643	138391.2383	219534.3155	148643.8119	260552.8789	132563.1817	359956.0177	533168.3539	358070.2575	219562.7748	400138.7671	306216.9409	135712.6434	318172.509	200223.384	295539.576	230355.2358	204756.882	181533.444	217581.5677	129746.036	198887.5569	123615.0228	423826.15	187939.7857	153544.0698	441828.574	770786.97	358888	355097.9891	532358.7942	217016.3262	217165.6643	341802.8594	305953.227	419033.5705	202806.0948	130879.6292	213491.289	135377.3002	70659.49123	65637	80092.19714	487924.1714	128772.5402	389660.557	593669.2441	260855.184	230807.4434	252066.2736	203198.5896	312920.9661	100119.198	143600.8577	202502.3486	99752.43462	144015.5668	93039.12562	980263.1073	282037.116	117603.8898	204626.0354	555085.8774	96544.674	270336.893	116109.48	95643.954	279594.5475	110077.9485	86548.7	146073.6829	67928.89277	433103.598	86194.47462	277351.848	255773.622	112914	69783.04577	124103.3179	186269.9089	406552.5292	143969.7946	156565.986	107847.042	215312.5488	145794.9929	257809.0065	178556.0433	601817.4143	287261.5243	1180104.332	119745.9562	156936.282	242202.8943	331025.7131	134193.102	175975.3173	150860.2075	128265.3645	139145.4007	172636.332	528196.2815	143232.7334	88874.23246	517158.243	199945.2259	274806.6602	163863.1426	162405.3083	129866.0068	210741.6825	112807.833	112915.575	199634.2768	139236.0596	144333.6158	139912.674	104226.272	91820.59029	132921.252	83542.1325	84092.80308	79520.232	225672.7028
C318	"1-Linoleoylglycerol-2,3-di-O-glucoside*"	678.3827	C33H58O14	Lipids	Glycerol ester	-	1	3147.166429	NA	1722.440091	NA	829.0683333	1791.112	2216.721	NA	5195.303385	NA	4922.254769	NA	6659.059833	2975.427	6284.1688	5881.298538	NA	7981.543385	NA	3459.50975	NA	3765.821231	NA	2816.158182	1106.244091	3831.905231	NA	NA	3432.368333	3078.069	5978.0652	5446.1336	2629.773	2946.990333	NA	4047.0435	NA	2055.1635	2812.5504	2197.296692	3900.167385	NA	NA	4852.0025	1596.49875	818.881	5118.9005	NA	3148.277	2124.514	NA	NA	7033.393071	2974.4928	8126.845	NA	9058.744	3501.338455	8344.062667	3557.934154	5072.9664	NA	5074.765727	NA	2540.3588	NA	2146.7916	NA	NA	5128.886154	6507.6825	2546.389	2473.548	NA	NA	1532.0806	2334.397333	5977.200417	NA	NA	5333.84675	4104.744	NA	3311.056333	NA	5671.704571	1874.7625	1991.679857	2260.744	2607.040385	2393.086643	5812.627214	3296.927833	5417.226154	3147.6	NA	2812.402333	6557.124	7834.257	10489.932	4993.58	7800.682538	12101.46077	NA	8669.4275	NA	3994.6308	5604.876308	3566.046154	1241.144	2346.1966	1257.51	6695.589923	NA	NA	NA	4848.437538	2300.745	NA	3483.6002	4757.994	3018.708	NA	2681.133	3574.612364	1169.787667	NA	4778.667667	2867.800538	7921.9602	3490.983231	2739.2576	NA	NA	2262.074833	1447.3256	3135.15375	NA	NA	7095.648077	3897.325571	3877.3055	5530.610077	NA	2214.307556	8138.616333	2214.4045	NA	2346.4485	5000.596462	4475.43275	NA	8807.866	2056.453	NA	NA	NA	4453.194091	3285.31925	NA	1785.571667	NA	2673.993	9249.2505	NA	7941.13875	6696.706692	NA	NA	2409.944727	4927.693154	NA	3901.143077	2598.808	2396.952	4444.410769	3031.569	4459.059	2819.477818	6702.848923	6960.083467	5544.924615	4389.386	6282.839357	5331.827692	7263.665385	NA	4701.756	4875.816	7579.174786	NA	3285.63675	NA	2328.684286	4116.826182	6350.876667	8209.499385	2468.507077	NA	3562.582333	NA	5190.290286	NA	NA	NA	NA	NA	NA	4723.3565	4450.017143	3042.972	3762.44	3021.905909	NA	NA
C319	1-¦Á-Linolenoyl-glycerol*	352.2614	C21H36O4	Lipids	Glycerol ester	-	1	229515.3	606385.1733	135124.1383	318075.0872	134071.3575	564776.59	104903.6746	644413.0735	280628.775	375331.401	526784.7263	106188.6938	463934.1759	67450.94269	83634.12933	312294.498	210122.0138	312749.882	298144.708	131620.8965	171041.8908	289188.767	614904.3863	346580.1395	210401.934	144551.5313	150657.8843	145692.6854	121997.3538	182915.325	565281.6475	183532.4548	301410.0894	106019.4375	293384.026	230250.6562	230524.2393	177725.7563	113004.5575	172399.5762	152600.1757	455489.8192	178745.1217	149090.664	372355.5108	58119.85433	280803.6206	378918.872	208706.3638	113049.794	311541.3875	194923.4912	125925.3415	399045.9938	329040.6257	235736.5863	248116.5217	193069.7438	195069.9106	240976.0602	364650.3623	222404.6435	1219615.725	166244.255	246121.9467	402039.0563	216624.582	128165.1037	188485.9412	324407.0576	385301.8146	203807.9453	563230.0407	82769.28167	175762.7834	240628.3507	573668.5068	380485.8843	270210.9107	513676.9271	680447.24	450663.275	401453.3583	566280.9448	633329.6835	1001114.342	479887.4538	407329.4102	328932.522	637439.9487	490748.1265	380299.0909	262591.5655	658030.0033	407472.8215	541063.4327	273659.405	674589.6007	801303.0197	611518.784	473383.2052	541088.606	678374.8305	291575.9236	598936.6347	576488.022	704541.0937	362851.8637	340577.28	394012.652	424947.3102	328197.2994	348413.2727	251518.9091	887400.288	267846.0147	307627.475	775134.5902	1947392.606	910810.7658	633859.5367	1104297.388	440036.7778	503530.65	594756.5	560834.17	835718.3849	401621.024	313665.8595	506764.3089	251837.9106	156068.9376	153896.7538	121526.174	700093.5201	297978.4735	514039.0597	1143526.927	524924.026	436210.2704	456607.4166	355282.896	549631.4886	243974.6975	268971.4247	373296.3877	199486.9893	251836.9667	167500.4567	1251231.25	408692.158	185341.3313	336291.2089	1379318.76	208997.2686	536969.0293	240791.0867	193238.8275	617212.717	205446.208	183382.944	250660.7363	129758.5098	500720.3683	131658.678	408804.525	423079.425	232737.6615	200800.1889	195810.615	345772.1447	729606.2393	262010.7646	237764.8373	211349.4188	475931.0033	257986.704	395366.5227	296085.6	973048.5495	538937.1734	1330116.756	216737.2403	352841.9063	503671.9707	491511.5437	193691.3062	314601.1767	191773.0688	236727.7958	294607.6131	358176.4797	811181.7234	297898.0559	192297.594	534619.1795	288699.5095	393349.6125	333037.4885	338695.0554	311711.3075	404688.825	240182.908	231399.195	326744.4323	318651.1875	281173.1189	298439.0045	174778.53	205482.825	258622.045	156403.9735	160405.2	197803.1293	480867.4658
C320	1-¦Á-Linolenoyl-glycerol-3-O-glucoside*	514.3142	C27H46O9	Lipids	Glycerol ester	-	1	2047.3752	2614.985833	2030.5056	NA	NA	3716.358692	1793.992333	2696.081769	5068.06875	2619.459917	NA	NA	6240.693846	2034.723	6827.448571	NA	2534.308615	7949.319	7812.48	5174.0185	2481.109231	NA	2892.170417	4330.997083	2149.881231	3789.753333	2693.6835	NA	2239.42	2688.628833	5478.304615	7761.504625	5222.872308	NA	4818.501818	NA	NA	3845.269154	NA	1482.459	1864.222	NA	1429.408167	3022.782375	NA	1073.78425	6470.541063	NA	6027.951786	NA	NA	2847.977846	NA	2459.498	10695.78714	NA	9984.994154	NA	10644.69529	NA	NA	NA	4842.560462	NA	NA	NA	NA	NA	1432.264167	6478.449462	7389.945	2171.586	4611.905538	NA	877.952	4803.201692	2946.102	7940.525833	NA	8683.495846	15692.24571	6238.391308	6711.48	6812.794	8295.4095	6553.3655	6829.457143	4601.298462	4144.734154	5946.868154	6365.772923	4386.081917	3782.6308	8631.399	7059.095333	NA	2021.932727	12383.72143	10757.47819	20969.58171	7254.95775	11622.34	13783.44446	5315.843571	10604.787	4788.511538	3669.6415	3463.3765	7033.915154	2951.117231	7186.640154	1767.405	8679.710357	2004.4375	4182.727273	3265.86	10231.21765	5519.6295	4507.494	5494.628769	10821.11538	NA	4356.2346	6378.775692	8555.172615	8951.103231	5166.986667	4914.034	5476.491429	15793.74923	NA	7558.207333	NA	4955.978333	4762.485	5316.626769	9860.0856	6094.760875	6667.249333	14195.76311	5843.236929	NA	12325.92115	1551.95775	6723.359167	5541.804154	5256.638	8946.582857	4851.44	11516.30743	10365.43423	NA	5421.612	4020.706154	NA	6177.277765	2589.8644	4491.853333	3629.235316	1645.007571	NA	5586.770667	3398.027286	11439.25457	NA	11959.2372	14293.64532	3715.262857	2585.779765	4916.238462	9800.765	4988.397714	2222.92	1654.93125	NA	8793.0796	11461.96207	NA	9376.967714	13343.63467	11510.16533	NA	3725.924308	10907.78529	2796.312	11890.6525	5991.04	8586.469867	6571.585429	5813.628	6043.456667	7958.686	5025.569538	5683.479154	NA	7061.0288	7987.029714	NA	2499.3115	5211.36	NA	4117.488533	NA	5294.412	7091.8356	5068.903	4949.858692	4112.531	5312.575	4224.7104	4413.913714	2519.121	NA	NA	1299.349333
C321	2-Linoleoylglycerol*	354.277	C21H38O4	Lipids	Glycerol ester	3443-82-1	1	108071.5114	312923.5886	56891.95143	180146.6229	82364.77729	199771.5343	37509.31371	320775.9064	97494.64337	147144.515	193030.4829	68076.36937	192497.7359	33426.92571	46610.496	181561.338	96948.532	146212.857	104622.5936	68384.8855	95210.30443	130709.6621	214788.441	155581.4354	96780.30857	89074.54286	78256.95429	49925.61786	44436.59571	73042.31813	262064.565	76175.44357	150673.7295	70714.87429	126327.6206	112136.1925	116139.335	62403.41529	46080.0575	91275.82187	88936.15	203433.7795	78983.08312	71130.09829	149484.7237	43001.0955	88816.23771	183234.557	82018.818	57782.98125	161359.5798	103971.444	75736.75471	197087.5685	153070.3042	110186.6012	154056.6708	103288.8148	112415.5493	142978.8067	131240.0571	123524.0218	561569.02	73424.01743	117684.906	139045.0358	95268.29462	75150.075	83560.88925	162557.4343	184162.9849	101811.2898	191145.8735	41095.09169	64494.82286	170299.5614	216314.469	220548.769	138872.958	267881.793	414061.3651	220417.524	181255.646	266672.794	299213.577	496503.3857	245942.044	243586.2397	167822.653	313651.9768	151095.6731	196183.65	136546.0011	220479.8538	123840.5143	246757.745	134559.49	329374.8375	451120.384	340904.6906	209858.285	346750.189	302171.9987	121204.457	302050.6489	197901.535	270684.9514	200912.9736	199285.153	167026.08	198943.9506	139128.9317	182074.2586	121701.145	428760.4	166096.7806	145949.2281	371025.8056	804453.882	385817.0062	312812.9211	486408.572	212563.4302	199396.4657	322724.1155	279270.5452	421913.0732	198749.943	126437.1115	191231.3067	124300.13	63405.06	56373.53543	71616.3525	430298.713	120363.058	386590.838	616381.4015	268015.074	194410.26	200872.6217	202145.3668	319474.2091	107668.566	121624.034	197766.746	99797.52046	153786.5718	96142.39723	664026.4187	285458.1804	117882.6388	200794.4842	546490.453	100252.2134	278421.6155	114478.176	92379.14717	288185.316	120068.0012	88977.15	147421.3708	70145.03515	463795.1289	80534.19569	386211.6677	291363.1576	107181.2097	72436.09317	126256.6937	190280.3863	410351.6369	137814.8781	142949.268	107884.572	210062.3428	153775.5151	268213.3725	233133.5091	618543.1674	281460.146	702737.9983	121142.599	155002.1123	241499.114	330845.9358	134570.07	169545.5533	155469.5835	125754.1935	174778.0388	177087.39	525965.0517	144291.287	89010.742	679384.6274	155673.933	271214.2908	169976.0603	153008.6055	135715.5886	214554.6437	118723.577	112061.5752	200510.8705	143868.3199	139716.4515	138986.7888	110160.0361	106088.589	137432.358	104155.1621	87271.87214	85515.858	236704.3452
C322	"2-Linoleoylglycerol-1,3-di-O-glucoside*"	678.3827	C33H58O14	Lipids	Glycerol ester	-	1	4705.988083	3665.2266	4806.830769	4192.149333	1522.512	11546.91093	1902.636667	4911.504	5901.539	4359.656	12779.42747	3914.772	4560.954	4203.857538	8126.540385	6729.3736	NA	15528.94971	10535.94	3509.033333	2443.438077	5251.326429	1470.9235	3777.133333	2536.6482	3849.831	2122.652	2739.449143	3218.8728	4442.882143	3109.47	11257.97458	4584.838125	4013.4195	3622.099385	5231.226	NA	2815.152923	3958.9635	2134.768286	3591.021	NA	2887.317	4961.376	NA	NA	12026.9295	NA	5529.435385	2292.206769	2842.240889	NA	4093.40625	7005.801077	5493.45	2487.593	9817.310286	3726.3142	8382.856846	1903.69825	21958.82138	3893.285833	3083.34	2190.770235	2275.17525	NA	NA	NA	NA	10970.03854	9585.16875	1954.899	2630.716	1841.214	NA	5604.36575	2275.416	10784.33846	3028.906231	2240.444	13501.02557	2677.912	3396.904077	3495.5315	3755.933333	10554.44262	5307.94	3051.2056	1770.05125	5928.581176	4492.693692	4022.2845	1842.299	5494.672533	5033.9295	2107.602	NA	12898.1476	20897.60379	16535.84262	10601.61554	6099.0712	14727.30467	NA	7748.613286	3671.98125	3226.6	4094.9844	1249.092	NA	3740.3775	NA	6710.857385	1909.521	5161.490308	7227.008846	6424.946286	5236.062923	5299.497	3913.755	5369.898	NA	NA	3927.213143	6354.979929	4803.976167	6348.48	6289.268	4346.320923	10285.52923	NA	3483.656333	NA	NA	NA	NA	8037.23625	1102.296	1978.086	5159.686769	3995.779286	NA	4799.312727	NA	2447.995733	1473.307	1313.24325	1920.937	NA	7354.0468	4601.253429	NA	4560.954	2399.707	NA	NA	4433.742083	1825.869333	NA	1850.071	1831.119	NA	NA	8103.92975	NA	5973.12	4691.0324	NA	NA	2213.48925	5286.6838	NA	2169.610667	1266.037714	1474.66525	NA	3696.781846	3409.927714	NA	NA	5139.575333	7661.232	NA	2970.223765	1545.1975	5709.270857	3018.6672	5284.326667	NA	6217.52625	1232.607	5895.407	4589.8088	NA	4578.446538	17509.41921	6526.186	NA	NA	1247.181	2040.618353	4617.183333	4295.685333	2925.75	4166.234333	4950.898125	NA	NA	4452.546857	3147.858	NA	NA	3779.796923	1804.271625	4483.5305
C323	2-¦Á-Linolenoyl-glycerol*	352.2614	C21H36O4	Lipids	Glycerol ester	55268-58-1	1	219298.2088	585684.9556	99966.372	284845.7901	124331.92	516852.6847	103766.421	586464.9921	252484.26	379309.6843	482102.1991	105092.7679	431992.0747	52343.22586	93735.4776	269841.84	202887.982	292887.815	159369.7614	110018.8063	187268.865	300616.3673	617462.7305	347236.5091	203747.0373	140775.3	160596.1003	131293.2514	97167.474	175924.882	535814.9859	172949.311	307366.5768	97630.236	319803.432	218069.9437	245637.5805	184252.5644	122950.8702	184268.0646	151098.4043	472748.7778	171975.2825	158046.8596	390463.9286	64419.40867	334812.7941	395896.568	196491.0177	111622.794	313329.9387	196097.751	148614.3254	407878.875	340661.4597	242149.1364	254472.1515	191661.4757	198797.9269	250524.5496	452007.7481	236081.469	1195322.607	163906.0825	256325.4371	410813.3362	205214.6224	132270.222	197350.764	405612.696	510241.0613	180450.8093	522864.6847	86821.191	172749.577	241412.2493	593669.0433	366813.2312	274063.768	551002.0376	775131.24	464470.846	487783.9771	569256.4908	607100.0468	1009521.152	493476.9987	426205.9609	338215.6827	658794.7916	497219.956	376671	256963.7117	586426.5018	446126.5145	561391.025	289783.4417	667535.9636	867871.054	589056.8302	522701.7945	478492.245	682180.5813	302952.856	621393.8093	599474.284	676843.3125	366574.2205	337820.16	404533.1625	494049.485	304150.0094	379467.3287	263519.4545	862749.4451	276910.142	309187.15	781041.9907	2003451.806	901889.4524	690592.588	1169280.675	416692.3535	497866.7813	617062.394	580150.2525	887283.2187	381455.2981	333261.62	635925.8208	275217.7825	143322.2016	162821.6474	125771.9747	719167.218	299119.1084	490221.3117	1137450.384	539420.4688	444896.7046	454117.3644	355350.864	577645.7553	272861.3063	283734.3342	379721.6284	181357.3905	240448.6121	156068.5417	1440886.036	454578.8111	188561.025	366381.2027	1313569.135	202684.4128	568348.7636	229001.1267	190153.9237	596570.381	204878.4293	183527.55	258894.4063	129599.7862	507775.3512	118695.726	453210.8175	452275.65	227768.1425	182470.9153	207283.0575	352900.7262	715211.3227	266620.2518	231161.6327	224184.0427	510497.2227	266888.3016	440262.5258	307657.1813	925800.48	518374.752	1668441.693	237537.6843	359420.9901	497522.2953	510585.3703	197932.275	291727.318	195141.1006	241300.3269	278290.6115	351882.85	776564.5151	314715.4688	187140.3495	553388.0455	321641.1618	412131.3188	344385.8428	360688.1167	323553.8533	405487.2938	255615.5865	222931.7498	318895.376	322876.8956	257234.5242	311005.4233	167195.17	221179.5877	275411.4988	148184.5296	169087.95	197375.9807	441662.886
C324	2-¦Á-Linolenoyl-glycerol-1-O-glucoside*	514.3142	C27H46O9	Lipids	Glycerol ester	-	1	927.6605	NA	1913.307429	NA	NA	1497.4736	1915.9602	2065.145833	5558.194286	NA	3609.132857	1724.081071	5381.111571	NA	2923.662	2718.45	1751.052	8929.01625	5322.027467	3483.207	1678.2415	2710.693692	2247.1175	3979.08	969.33225	2409.162154	1221.770571	1451.008286	2198.166	1353.339	5003.1648	3350.082	1893.9705	1661.3452	4283.048308	2705.887571	2281.259455	NA	3948.662786	808.1645	NA	NA	NA	3471.97375	1385.817	NA	6681.1168	1352.532	3296.647083	NA	NA	NA	1824.91925	3088.3935	7533.955	1376.440364	10797.346	1288.91625	4481.701	NA	5978.789231	NA	2475.876	1869.3675	1242.8182	NA	2346.248545	NA	2576.112	4398.2565	2926.984	NA	2722.5936	NA	1196.3385	3560.804571	2213.8068	5128.4238	1751.48925	8259.861333	13698.12707	7091.032615	6584.501538	7240.256471	4766.3268	8932.775	6347.710571	2154.75	NA	5166.596462	4640.4968	3427.721	3254.511667	7263.339429	6312.092308	NA	2269.898231	8877.159429	10202.11554	20636.32662	4356.2528	5211.33	7595.031333	4361.941474	7615.83	3286.744231	6087.568571	6095.592	5323.43625	NA	6810.678	NA	5626.700308	2340.127769	3882.252267	6226.526769	10150.625	NA	NA	4527.744	8066.6675	3566.875	3229.506462	3977.388	NA	5296.33	2594.862333	8386.956	NA	5140.018	1773.135	3486.24	2106.421455	3363.195	4499.7785	5616.1835	6581.8782	3581.979214	2949.541667	8785.452923	5320.505714	5042.718692	10692.612	NA	6803.286231	4576.207529	3453.37075	2856.434167	2118.921	5975.0516	5496.9105	1858.521	10375.61708	NA	NA	4892.361765	NA	NA	3784.422063	NA	2213.171333	4369.517667	NA	11479.29837	3071.329917	6211.907714	10583.7124	2696.602286	NA	4705.3455	6125.60275	NA	NA	2249.44	4716.0736	NA	9306.48425	2827.817231	4792.4364	10902.90162	8973.5396	NA	3489.469077	9100.0144	4910.681286	4667.588	4387.573286	7055.339733	NA	7485.083538	NA	4424.02775	NA	4892.4536	NA	NA	8059.799571	NA	NA	2482.606667	NA	4925.043385	NA	4949.935467	NA	4296.919846	3258.660857	NA	4180.291667	3774.568769	4689.363429	4305.088235	NA	1638.6288	NA
C325	Monopalmitin	330.277	C19H38O4	Lipids	Glycerol ester	542-44-9	1	214557.0466	201356.9164	226302.4865	213565.7193	217596.1193	232396.2229	210326.8844	217994.4065	231582.08	235732.5425	225924.8465	225890.5156	233399.3731	231287.7985	250720.8989	223888.704	232001.4175	230607.4909	236665.12	238335.4702	253853.0411	243871.92	256248.6047	252983.7895	223910.2446	222903.7265	225200.0868	214023.68	216312.192	206780.6255	212398.4684	212353.3015	222704.1622	225564.372	230513.6312	227950.3702	207999.2436	207209.7164	213176.3258	213834.6885	215831.5593	238987.7575	218509.3702	225997.8778	210252.7865	218179.3612	218028.7375	230836.8492	222323.3668	182050.4723	226709.8153	213188.0793	204608.8687	221865.5062	191078.9738	222828.6255	247974.0867	212926.2562	224211.6312	219355.4953	216163.3971	218487.7402	229581.0884	212283.6276	197137.0063	223076.7935	203138.0444	214389.6611	178419.1402	191040.5063	220427.1029	224834.6945	222629.92	225725.6022	214591.139	223216.482	191219.384	181474.2785	170464.7389	185615.52	206548.4927	222816.8138	193833.3717	209884.72	174262.1005	210922.6313	162980.32	188210.0225	187662.32	179629.6156	179490.4436	168009.2313	156301.1513	150830.8022	170910.5004	178410.8684	189411.0255	207536.3771	189608.7611	203606.7578	205137.4811	240831.7811	234953.8756	245411.4593	241734.2302	229246.3812	216867.2895	208965.3775	221368.1171	171821.3942	219236.2604	201869.52	219494.3753	213720.32	216014.6618	217782.5164	197138.3793	189588.72	230113.2175	221242.9047	207786.32	188941.5613	189230.3211	197858.3857	194803.8775	211187.5947	182994.0447	175063.8278	194869.12	203064.8422	179371.92	195754.8036	178322.9245	209480.3411	211631.2713	188202.6285	171838.32	212567.92	178573.5063	194563.5611	190722.3356	168317.5811	188694.7856	189849.1728	197807.832	199009.6836	192700.0002	203717.3758	174442.7696	218115.1312	187701.1312	192707.8229	207248.832	234989.0771	203974.6676	187697.3793	186245.5063	193662.2831	182922.1834	175225.7032	201404.7534	196757.7568	189843.1057	206708.8953	169705.52	193387.0845	191198.1808	175735.2789	206598.2045	192783.4459	193699.52	190500.8536	173194.6198	168660.2507	202150.6072	191955.9836	210627.4308	199892.2208	212689.7784	212250.4555	166954.9575	217210.8225	191062.6293	198434.4099	231408.2807	213688.8693	206927.4304	216371.7307	180630.5536	189171.4382	202043.0928	207090.0208	230805.2209	216354.0128	241105.3493	266573.4772	245988.0233	188511.2288	257339.1334	204184.7083	217641.3459	200758.7081	182560.4704	208986.8528	208969.4312	223201.9344	199265.5888	221231.5808	194903.3891	195165.5045	176977.8128	182580.7562	213261.9331	195169.499	211948.72
C326	LysoPC 14:0	467.3012	C22H46NO7P	Lipids	LPC	20559-16-4	1	100906.0738	49748.647	77020.77392	128985.0441	50254.10743	84014.73143	26810.40275	64719.93083	63315.61437	68396.8495	152427.3843	53800.611	74846.754	48192.632	91601.98275	76255.19	123040.1726	180464.3638	165683.3624	84619.07813	74964.73385	89187.88686	63574.54167	92986.23017	51689.09667	59796.6975	40625.424	50011.32917	55956.38333	87055.69192	137924.951	108784.5422	48297.081	72946.01371	47679.26625	73674.19583	72091.26575	72439.655	49739.77925	86984.227	39721.89825	48123.38783	124404.1983	87455.62912	64652.0435	27505.9902	86966.60571	42074.6205	47968.81538	37001.49375	68946.9858	109425.9375	114285.16	77247.69633	193779.9422	87083.22133	107303.3714	52730.403	80519.46667	62996.86283	73786.299	71595.333	32758.077	83376.25954	57867.61292	84007.30912	73874.184	54963.167	54787.2975	45270.95	124919.3738	132253.702	73416.21533	57319.19875	34384.3278	52903.97725	116335.024	107202.5297	82066.7316	81659.42492	202190.618	59587.69686	80681.132	95348.825	72344.32662	160034.4222	71005.6	49599.42462	114744.4875	65401.55575	79358.63569	94795.67771	123790.6492	162941.1211	123635.8427	130727.044	88097.8275	179492.0685	155174.04	106659.355	76612.27842	96864.94325	142096.9764	81138.02313	171813.0705	43365.085	80572.00946	81725.08743	187334.3862	180142.2027	97085.75246	42375.129	45594.08675	32334.432	89620.26554	83641.49257	119911.038	80462.38485	157999.3468	91513.1805	88616.56	68551.61067	100159.928	53582.45833	129987.3046	134125.9173	21068.43429	51833.152	50933.01167	196491.323	24573.7116	29668.00875	49875.1695	76493.4498	59260.27167	69769.24267	94011.008	56568.56722	127793.6215	73456.0684	59484.31754	75928.5136	83288.6784	54071.556	91035.99508	74542.5125	69424.45389	100224.0702	81337.02662	42033.8075	78100.94	119952.2844	220753.9055	49273.65473	42083.05177	78090.28457	80064.432	30069.36625	37388.30585	44834.85967	37546.5645	85782.9882	65600.3525	217166.5212	78596.41231	185891.8646	97803.6834	36651.25429	54981.88308	138265.9858	107683.2144	50631.6108	43107.96762	91302.08457	93264.76308	64275.5826	104290.7696	61759.88317	71053.59933	148689.3489	106156.6581	90720.48	37800.485	114716.5814	33985.38	111046.0735	130055.2271	71052.496	121636.2249	50620.3392	110767.1628	78343.3125	69930.15723	129803.97	84276.3055	64168.643	83149.38208	97240.48615	80770.19157	103880.352	45727.2	66290.4	51978.58714	87627.538	93524.44477	51684.1752	122416.6577	91905.28362	51706.7196	61135.7604	60508.02246	60147.75	112906.9431	37283.19729	53583.62667
C327	LysoPC 15:0*	481.3168	C23H48NO7P	Lipids	LPC	108273-89-8	3	125452.0723	75427.43893	120762.1127	94903.58308	44870.56658	108634.384	57089.38215	84318.04662	85500.4275	71096.6745	172443.546	47691.67333	61250.915	87282.64633	160194.1385	78645.188	117107.9413	128037.2548	135232.0947	110813.5564	73825.07815	161527.6923	124292.6352	104834.88	57796.73333	75179.77654	78111.44315	63264.90738	95297.72143	38335.125	188953.2129	168609.9521	98063.14029	93735.65077	62616.19923	80454.98462	119380.2686	113929.2638	71576.47077	86329.30223	55691.2685	59425.67086	97153.00738	65555.42392	64870.20275	45709.52769	79572.34	48653.35075	54579.90631	53420.30238	83071.8955	84153.66667	154934.355	96850.791	164171.834	73285.02569	114601.3145	63318.24023	69925.456	76171.9	106832.6954	157257.3154	57098.682	72301.16667	79622.73	105550.02	76981.50746	61692.03762	78661.74615	82935.27107	188022.6667	120081.2942	152117.3821	56640.304	102517.342	68749.60114	194986.8905	92500.80971	54214.81167	NA	152930.9141	NA	50333.60625	124298.0685	70600.43438	158646.22	99797.9724	67822.72971	146638.2529	61681.67008	168123.3813	127182.5477	114894.354	300379.3195	284602.1971	92446.1215	81415.96543	159324.4576	121472.3067	192685.0298	NA	35244.59467	76188.219	70941.59262	147483.7495	85174.32575	67426.45654	90717.03554	81666.117	132261.8121	102935.1117	66140.87515	91493.84571	59017.97714	114458.7885	105536.7794	144425.2992	93178.11736	185942.4386	117385.6946	141621.948	45389.448	125462.4794	NA	39281.8335	25077.36	29620.22538	95379.45769	104451.2549	214255.5832	55759.15329	80483.96	99315.04154	140815.4914	144126.1583	98613.25869	36897.21475	38500.245	57589.731	76864.818	68325.664	76574.0025	136045.6228	105878.0583	NA	156084.6605	82741.31008	118634.6416	161615.7715	157291.7328	101393.6912	112079.3278	229783.7867	57091.12962	54862.26143	109185.3807	157170.0988	81749.88643	40187.9745	54144.39554	87309.5475	100420.1517	119768.0122	235346.3351	92315.856	176809.3731	102538.4782	35708.46075	78608.62757	113556.944	177035.3241	86119.436	48719.46667	89952.00587	165726.3278	75047.63	88949.53571	121144.6674	100937.7216	111980.0856	122295.6528	30392.12733	46381.6275	128544.9075	66957.72121	112002.6418	140390.9867	50722.36517	80394.31586	113146.3474	149310.5215	78488.265	43358.97967	145904.1814	78425.39369	NA	104504.0395	66796.80233	57987.69977	121688.7729	88406.136	62797.86	59318.6405	104074.8429	60127.55508	92421.18092	114631.6447	90095.75658	74879.32775	103109.0248	41379.0795	62559.02	79283.8405	39338.673	37376.82483
C327	LysoPC 15:0(2n isomer)*	481.3168	C23H48NO7P	Lipids	LPC	-	3	125452.0723	75427.43893	120762.1127	94903.58308	44870.56658	108634.384	57089.38215	84318.04662	85500.4275	71096.6745	172443.546	47691.67333	61250.915	87282.64633	160194.1385	78645.188	117107.9413	128037.2548	135232.0947	110813.5564	73825.07815	161527.6923	124292.6352	104834.88	57796.73333	75179.77654	78111.44315	63264.90738	95297.72143	38335.125	188953.2129	168609.9521	98063.14029	93735.65077	62616.19923	80454.98462	119380.2686	113929.2638	71576.47077	86329.30223	55691.2685	59425.67086	97153.00738	65555.42392	64870.20275	45709.52769	79572.34	48653.35075	54579.90631	53420.30238	83071.8955	84153.66667	154934.355	96850.791	164171.834	73285.02569	114601.3145	63318.24023	69925.456	76171.9	106832.6954	157257.3154	57098.682	72301.16667	79622.73	105550.02	76981.50746	61692.03762	78661.74615	82935.27107	188022.6667	120081.2942	152117.3821	56640.304	102517.342	68749.60114	194986.8905	92500.80971	54214.81167	NA	152930.9141	NA	50333.60625	124298.0685	70600.43438	158646.22	99797.9724	67822.72971	146638.2529	61681.67008	168123.3813	127182.5477	114894.354	300379.3195	284602.1971	92446.1215	81415.96543	159324.4576	121472.3067	192685.0298	NA	35244.59467	76188.219	70941.59262	147483.7495	85174.32575	67426.45654	90717.03554	81666.117	132261.8121	102935.1117	66140.87515	91493.84571	59017.97714	114458.7885	105536.7794	144425.2992	93178.11736	185942.4386	117385.6946	141621.948	45389.448	125462.4794	NA	39281.8335	25077.36	29620.22538	95379.45769	104451.2549	214255.5832	55759.15329	80483.96	99315.04154	140815.4914	144126.1583	98613.25869	36897.21475	38500.245	57589.731	76864.818	68325.664	76574.0025	136045.6228	105878.0583	NA	156084.6605	82741.31008	118634.6416	161615.7715	157291.7328	101393.6912	112079.3278	229783.7867	57091.12962	54862.26143	109185.3807	157170.0988	81749.88643	40187.9745	54144.39554	87309.5475	100420.1517	119768.0122	235346.3351	92315.856	176809.3731	102538.4782	35708.46075	78608.62757	113556.944	177035.3241	86119.436	48719.46667	89952.00587	165726.3278	75047.63	88949.53571	121144.6674	100937.7216	111980.0856	122295.6528	30392.12733	46381.6275	128544.9075	66957.72121	112002.6418	140390.9867	50722.36517	80394.31586	113146.3474	149310.5215	78488.265	43358.97967	145904.1814	78425.39369	NA	104504.0395	66796.80233	57987.69977	121688.7729	88406.136	62797.86	59318.6405	104074.8429	60127.55508	92421.18092	114631.6447	90095.75658	74879.32775	103109.0248	41379.0795	62559.02	79283.8405	39338.673	37376.82483
C329	LysoPC 15:1	479.3012	C23H46NO7P	Lipids	LPC	-	3	41398.3795	28343.19737	31413.43064	41006.54433	31388.294	27069.8132	23192.85289	46322.17445	35945.7528	23996.406	98444.3584	24336.2436	26688.7446	10825.33425	54509.724	37511.6136	51451.736	103345.2571	123813.4036	NA	43200.5482	40800.46282	35248.59038	38556.2205	27157.06733	22796.2576	19155.90625	33781.7653	31215.6855	12377.2376	49023.76145	55854.792	39038.2671	18287.21871	57354.7625	37999.98255	22492.03444	45615.33112	23882.24864	33194.1731	25609.1386	18589.68375	50120.47473	40239.017	19015.005	10552.439	60376.14255	13014.42125	36468.1338	11002.9935	28274.49643	25321.296	56608.2616	34221.1548	99146.92371	26277.903	59250.44567	12457.281	44385.27691	16952.301	76174.2916	40659.462	47202.00817	21483.3826	21134.78571	49382.7751	32461.44	27262.466	35912.0615	71662.9034	208747.0497	46377.993	26945.03229	10981.71	31736.9245	34897.8669	59102.9012	58073.46545	22763.22875	100925.9782	99200.56255	75864.14	88153.57391	88824.3336	60457.49427	108691.8621	42064.25486	15129.3376	67394.2247	19837.40625	70673.97818	20491.329	53419.25	86470.26311	41667.6825	38597.762	13418.50467	72194.427	128385.07	122243.6391	35181.718	69431.698	139368.1341	45546.57112	99516.97309	19163.2	50402.694	42356.49791	39110.0155	21658.952	41427.708	43651.50325	21749.03333	24661.854	18348.12125	57833.135	45543.63429	32567.0796	59959.6935	73245.59418	98910.9836	27326.4004	43186.066	81364.897	71715.79673	74586.8331	NA	36453.6304	38465.1812	127445.1568	18972.3177	41009.3475	31243.542	39415.8534	72769.5408	39880.1754	43873.956	26249.6864	21036.54375	44644.264	38490.7142	73847.17964	62920.70545	14716.53333	32039.20222	21790.9365	40361.57382	52123.39	74493.32	145705.5908	47718.029	48837.51756	76159.585	24071.102	21784.99245	28649.761	42939.4448	27623.2817	NA	16569.4695	23897.976	42270.50971	18154.29233	146631.5327	12480.6015	54470.27733	105613.0455	22493.908	14666.98	52442.1164	90317.4566	42264.8616	14896.04675	24651.655	57068.1708	51871.81912	45821.10683	17307.23583	92396.84973	79870.653	97316.35691	129019.6186	21256.917	46354.5548	18324.0894	54560.109	54534.54914	42628.4643	41391.7856	35896.0386	30833.0924	26786.164	35025.0025	29858.528	41381.4534	73837.44467	57246.86264	53555.63309	43427.80527	26961.74625	38723.7105	28757.1405	17513.92	31846.43	42781.70433	26258.60814	52559.79143	49286.348	57768.109	25436.36073	23255.274	40705.60745	25862.438	11506.4155	21714.7764
C330	LysoPC 16:0	495.3325	C24H50NO7P	Lipids	LPC	17364-16-8	1	10241950.97	4164899.308	7972795.391	5707633.709	3290972.967	5660217.687	3631649.854	5072998.306	8462459.088	5901987.267	16684820.93	4454117.074	8661644.336	5949643.464	7478946.444	7140795.098	11336591.06	13200211.09	11914859.64	8186688.398	6260915.772	16367802.54	6427578.183	10040054.12	5305361.734	5743297.954	4524066.269	4307974.967	4242179.195	3776043.071	9429905.232	8310996.925	7075217.066	8323234.298	4120450.215	7165580.057	7851327.074	7983324.222	5088492.156	8686404.449	5808094.477	3808554.54	3682176.319	5379601.262	5808958.236	1911785.967	7139936.256	4571039.316	4640456.119	1856754.131	6931446.842	7923796.89	9376816.105	8505157.261	11767159.16	7278262.226	9261403.331	5268104.428	6657496.464	5962854.68	7920568.954	9403437.002	4766979.695	6610453.971	4606306.457	7510886.855	6417789.229	4783319.235	5665825.648	5375380.974	11580242.03	8526894.629	7384628.382	4598084.104	4589074.577	3741236.24	7969679.055	7409922.386	4083157.183	6027456.533	12675559.99	6205649.144	6683728.61	6456199.143	5139881.245	12640457.77	6381534.935	4448135.424	8295625.621	4459896.845	10376520.44	7566564.212	8369604.549	12753114.6	11560697.39	5863751.077	4764736.16	10301371.36	12652851.77	7513895.474	8316417.653	6444248.081	13458847.27	5601487.316	8200434.016	5709005.594	5212979.296	5312829.057	12009742.1	8934087.304	6438599.793	4456554.752	4904745.364	2653744.456	3459008.7	5612241.088	7865892.847	6665721.815	9614580.949	7713228.6	9439815.798	4803031.822	6384582.221	4954989.768	6642418.646	5807425.024	1435868.921	3638850.152	4781069.799	10409411.36	3992693.244	4481115.537	2103368.124	5466312.527	8345090.352	8616434.808	5697424.875	5570128.029	7324413.747	7459477.491	3266359.541	3051237.891	4369923.652	5208257.599	4974441.667	13952889.58	5085302.323	7630650.563	7594184.786	7264868.33	5474697.139	6757902.822	15430348.39	4618205.802	3779421.994	5801818.523	8994936.63	4866558.286	3014768.251	4224675.84	4310982.607	6743624.8	8349343.93	14916326.64	6328794.163	11558851.27	12173575.96	3323196.643	5208926.212	7277747.098	11434788.41	5763964.889	2707687.912	5975657.647	5837466.232	7110347.164	7218933.348	11006589.11	6459965.081	8316049.476	6211721.829	9633233.661	2397648.736	7947956.666	3647161.622	9232425.25	6810131.473	4674707.429	9566854.539	7968684.485	8992307.878	8370604.774	3900371.805	9400500.476	7064394.594	13675423.51	6939769.053	8586877.94	5294298.615	6053588.703	5559550.44	5812603.654	3706807.338	6698889.655	5006471.807	6479484.355	9757835.064	8481888.404	6154968.648	6197239.381	3671671.714	4429566.211	6042224.851	4080452.352	4265951.8
C331	LysoPC 16:0(2n isomer)	495.3325	C24H50NO7P	Lipids	LPC	-	1	607356.4406	307587.397	425605.8014	308377.4496	283213.679	301502.53	242938.178	335310.267	625630.0848	387407.0634	1049967.984	368559.716	893481.6654	337128.6734	736016.639	470488.242	955922.3226	1237264.063	1069988.962	690824.722	567766.438	1092960.066	395223.9306	756435.4858	306434.6222	514400.118	346720.9203	303832.1904	323664.604	284557.66	923301.14	999427.75	684468.282	516621.806	301967.154	640197.066	544933.044	560462.004	386796.208	781234.172	528885.028	270196.034	926504.25	529541.856	420084.2316	263840.174	619996.556	259036.06	506469.5192	287605.528	414523.9384	659241.0682	952879.2973	636980.9544	1295904.04	484629.7575	928410.903	337258.1654	682801.092	682718.2165	601973.1915	684827.598	511460.1875	519546.4296	366366.9568	598010.6418	730668.439	470526.9367	432453.228	488395.17	1465673.482	732051.104	592614.036	312003.9416	316550.715	365615.734	902121.484	676224.7126	407069.4155	698156.5604	1858372.775	700433.126	847309.7325	694752.7296	455142.121	1023153.115	736679.0213	543758.7375	1033388.666	429490.5936	821618.485	799065.7974	919060.0915	1315648.776	621010.8896	678014.297	515024.63	1205818.981	1187144.778	1064553.473	647491.6533	1050409.391	1515535.798	712181.943	1292313.172	448893.4814	582129.7	702897.945	1452856.777	758314.7832	661918.345	638758.8563	596901.7125	309055.397	565633.1148	700486.12	898347.472	571149.9584	956304.5362	790550.296	1304422.735	585319.68	753461.566	692572.1025	853471.4723	692158.4475	293753.616	1209540.99	627437.4762	1253041.642	469898.5015	661728.015	363683.8714	677600.116	1301972.053	876811.7673	740254.034	564372.6852	962288.2425	1005502.11	466215.0717	814346.2648	1267181.667	587883.527	650753.1567	1903978.937	513292.9878	1132364.373	1044323.039	937299.72	781353.4773	784761.43	2140883.333	466513.152	395017.5787	669296.83	689984.8488	691422.204	488609.415	364100.6025	610392.897	862909.836	1066995.277	2029639.183	814350.3525	1437463.56	1892789.584	427900.5023	625707.9267	848861.7998	1397350.185	687755.7867	392112.721	881201.8197	906349.9757	1036193.922	1152774.539	1469399.025	944424.2325	1037615.963	949935.6973	1426516.762	359506.2525	952776.279	539082.7273	1261531.21	892879.533	711993.478	1286802.98	899319.7088	945180.7283	1018553.383	459914.141	1008077.828	844260.6505	1530009.988	612996.111	902140.3728	569587.606	825934.714	522159.6195	659095.7523	419178.441	761654.3565	643018.511	579074.017	926505.4728	797860.6633	709934.3405	496986.9267	405533.9376	362779.152	395982.0096	346388.3477	461676.217
C332	LysoPC 16:1(2n isomer)*	493.3168	C24H48NO7P	Lipids	LPC	-	1	111574.6411	76625.472	89872.50257	243641.0984	93075.5145	112556.8055	75051.54171	362596.4867	157612.0126	100502.4422	479741.7428	93343.86286	169168.8777	62399.344	417651.6806	252387.2595	114562.4269	630963.3664	616563.9417	127776.462	102274.9123	149773.3586	73408.888	84861.19583	96571.16486	76566.59471	48674.31867	80768.464	196373.8309	74060.86286	129461.8723	299429.472	115087.5627	65723.91214	272159.6709	76319.273	77346.122	57453.94933	144900.5464	91246.12857	86756.77433	38831.99633	105709.3577	119457.0222	45250.61	44760.71829	727401.032	64798.344	179724.6411	42694.38286	102285.582	92667.92967	211766.73	206956.5146	353587.5542	72774.09686	428752.5514	117140.0488	147909.7954	119318.0199	481744.984	108499.076	104800.8863	88948.22657	48808.15333	82670.8075	41828.02917	63428.06171	67667.76714	1018571.35	1169177.59	56706.00217	89348.03657	23850.77657	81578.574	126634	118566.63	449307.1905	73010.0175	760858.2681	460925.76	312072.523	367861.376	442366.0076	277019.968	890229.24	98376.993	88781.024	62245.4466	195720.6203	145500.726	136674.3173	85142.19214	194026.4336	123535.314	101116.84	52665.932	316967.877	449025.6	441155.292	329101.65	480536.704	395952.3086	64574.71714	265780.874	67884.41829	226166.908	328767.6735	106777.1373	43114.2912	126578.652	33263.1024	159170.2879	69238.65717	49129.05771	316345.1537	171610.124	328474.7578	274417.8857	111940.485	532230.976	240699.738	70845.39	311381.5166	372475.656	604244.472	19584.18457	134871.0767	106127.692	791343.9366	77523.88714	83972	59818.561	76501.819	281499.7651	102208.8213	218503.7692	67067.517	135418.086	122092.026	201778.6757	228572.894	163937.8958	44935.758	220085.0914	100609.25	149930.2805	109814.8656	45302.1426	1594842.962	217080.225	61688.3285	115158.876	73967.27171	24258.264	146557.155	141215.1557	43828.8785	28039.816	100889.816	25813.3452	72832	45501.3398	615474.8576	51993.682	408695.0467	277175.3628	54370.08333	25712.58	166813.586	215875.71	181065.052	29997.996	93045.75067	41547.5056	56817.933	91982.7744	50729	382956.0888	557389.5399	385846.285	559966.144	40495.5096	59752.0166	43017.546	165473.546	63519.304	74769.2414	81062.12571	88196.5275	65921.0145	85562.83467	146531.0861	105036.5313	73412.41167	613800.6544	240929.6929	80589.9335	93753.66867	75244.812	43558.1025	116739.164	94903.144	69533.832	168442.582	145012.86	86374.03133	127314.502	112608.032	190433.6661	81127.298	105977.298	91271.43257	49615.51	59936.526
C332	LysoPC 16:1*	493.3168	C24H48NO7P	Lipids	LPC	76790-27-7	1	69423.36814	22868.117	29846.568	34415.88	29463.072	22299.903	18265.208	NA	50276.934	15793.4815	104531.8717	36653.03333	60301.44	19747.2052	126009.3124	73800.86543	60953.37857	209881.8347	132864.2735	59607.03	42230.2725	62505.2032	40546.08	57954.799	46752.10617	45531.913	27163.47429	32958.41133	51989.8568	26251.4032	65195.89371	127482.8864	58326.55333	40113.91771	59803.03	48703.1484	31258.602	45936.51886	41626.193	48243.9755	48740.96829	20203.0985	89826.88825	95993.331	28782.972	24253.76914	118266.3126	24997.86	73217.536	25349.25167	32358.61875	62388.308	130711.6316	86357.75633	143122.772	30464.11029	165802.786	27483.07786	75197.22667	71552.71343	74065.387	61234.00371	46882.8125	38209.76617	NA	50245.68033	30735.68	34524.71443	43937.4486	166002.3864	479038.3493	44848.55943	40252.0928	NA	22885.442	63304.8238	89268.82737	108438.8292	54879.858	282785.9532	275584.8009	134654.583	130295.9664	210180.872	90771.145	215172.112	69721.74643	52267.1052	189072.6605	64969.16957	86008.84044	80048.045	67515.115	146286.9153	NA	77795.338	38303.50171	179359.8377	140970.453	268050.8443	59282.645	301033.0007	191685.1893	38146.5716	262101.6259	47038.19175	107175.4213	165836.7525	106116.123	133429.0397	66178.70133	103664.0348	84524.531	67736.35125	15509.214	163470.216	102059.4446	77042.5136	125540.7288	68062.52	276804.5091	117579.8875	82127.05371	194164.425	152411.35	213796.398	NA	136445.4464	57802.89667	320932.3683	50131.62914	93515.15425	32907.4832	205937.0327	169245.3823	83549.626	136913.6362	59669.34571	94145.44533	103044.334	117829.2235	173265.6743	504876.8061	38693.72257	120959.8893	264886.5531	72304.60133	312944.6421	170958.9904	347104.1987	166372.43	64652.97925	356635.0419	44072.59371	NA	103437.4057	62590.026	48674.87663	71203.66295	37663.64067	87226.4085	82515.77812	147608.688	428878.0817	128272.0258	330367.0003	869463.485	47126.02843	NA	401613.532	169077.0129	105501.302	83814.25371	105709.0846	158291.744	155880.944	312232.4357	138132.1617	349513.2769	409025.349	983798.5245	234644.4357	113531.2714	192221.272	144314.5495	413313.765	232165.4778	218789.3481	207936.4312	100725.705	65556.05313	97501.5585	73796.084	81231.89257	65178.11486	141722.0052	98047.723	83551.4355	54186.45771	184291.4464	41527.44888	69652.131	49549.85167	52318.06543	89885.06183	30841.0128	63073.69129	76772.36771	88982.06171	52674.804	56644.40743	47419.14667	37112.0315	30996.25886	34488.19971
C334	LysoPC 16:2(2n isomer)*	491.3012	C24H46NO7P	Lipids	LPC	-	1	16796.45917	12584.726	10734.66133	21965.2516	13356.126	8275.7332	8831.557	17919.95625	13550.6448	10654.927	26652.477	6431.0124	23746.615	6688.139333	23340.4256	14051.84	20031.125	46801.1544	36713.3445	17551.1552	17083.99	17859.897	11325.5335	10614.852	11024.292	15484.0156	10111.824	7504.321333	11617.749	9166.297	28616.15167	38840.3812	19088.1472	14282.21667	29780.702	14047.37333	14129.4175	10563.3825	12559.3172	13443.95	10069.59817	8315.512333	15182.376	14495.312	8791.1824	8760.8415	33690.861	6368.541	29334.858	6641.429667	13128.276	17301.19417	39932.55017	23253.705	72969.624	7309.9048	43525.3192	9335.212	20835.612	16710.876	37445.10525	17318.92286	15730.044	13144.7415	8484.355	24778.259	14590.09629	10394.33633	17094.32357	43758.308	114243.9133	12927.04286	15422.747	5190.6375	12801.4376	28870.04083	19871.3776	35375.75	18273.33829	111324.843	67954.1555	45483.327	57714.8	73260.20167	33047.5752	59680.878	22647.83829	23816.2815	32770.101	10019.7736	21505.4224	26470.08	39349.00543	67671.66286	37118.785	26254.69886	17029.335	75064.43233	50660.241	86196.4092	30719.161	86542.8245	61223.6984	19324.14	73757.25062	16572.1325	34920.555	47749.04933	38271.39857	22591.90029	19410.2	20257.146	31453.00217	16419.1925	13303.6736	60485.67983	39876.4685	28220.3625	32689.20233	34135.19317	70598.781	30948.26717	24802.83986	78938.496	55000.1864	40815.35	9812.82	54910.12929	34932	84192.689	17037.57429	29553.48	14617.988	34152.62937	77957.409	28410.61071	50906.661	22264.20357	35376.53167	54960.24417	58577.30083	48300.03643	98245.1	14625.91257	37331.2816	34686.70688	27497.0224	63201.12	40263.91425	55982.077	57986.838	25703.3985	73729.30757	10506.49967	9940.052571	28541.6784	27675.648	20935.194	12461.65375	13192.0656	15786.54	35220.51357	20116.024	121636.0993	22179.588	98391.35629	95472.88725	11348.52583	11294.70225	32612.528	58223.99829	31558.599	18609.09829	52824.36075	26156.5785	42832.79325	48244.26667	21817.344	71210.7735	83987.34429	98343.63175	67712.323	10759.334	38802.2	13847.886	74650.68171	43500.91387	76871.99959	32736.59025	27641.19729	20605.212	31099.76571	20318.2875	32223.13762	21816.14443	41664.9216	43523.07667	34680.53857	44665.67486	34003.14171	19120.78175	18392.8592	19503.37071	17421.49543	26945.136	16710.876	21339.77486	23592.51643	34507.17257	9719.754	12220.27929	15730.10633	9304.420286	12038.505	9549.5232
C334	LysoPC 16:2*	491.3012	C24H46NO7P	Lipids	LPC	-	1	15165.144	13091.06333	7737.858333	32246.33167	15045.282	12933.86	NA	20507.7232	NA	8375.046	27750.00983	6759.393923	26759.60417	7398.774167	40827.29385	17213.867	15651.48371	47668.3888	69288.33877	15950.2785	12576.018	11516.778	13598.856	20519.19164	9096.957	18113.80025	15669.97917	12576.18467	NA	13585.53125	40352.37508	33341.2325	30852.30225	14408.51657	NA	15958.344	8874.668667	14295.06514	17335.40083	19362.80308	14077.1683	13931.14246	14468.87467	9552.68	11016.71786	8481.4032	NA	4792.8775	39989.56575	8036.018571	23392.428	12144.099	36155.002	34826.51538	105275.3477	8827.992857	61557.83746	NA	35743.87317	18012.75	34902.5625	15531.01917	11259.53467	16335.692	11841.324	34648.42243	NA	9645.606	19143.376	NA	181142.346	12600.90667	9619.209	NA	NA	25201.8836	22382.99433	57178.42473	15764.485	180451.8035	95694.74033	67613.05777	92694.19508	101530.4825	39008.48833	85508.054	23217.45767	30549.54185	32705.66769	7511.025	29914.88877	37497.46125	35027.284	70778.02233	48773.95246	34512.84129	13039.5235	103632.9997	79742.04715	126198.3496	NA	126603.6861	111067.8291	33535.78062	98851.12213	13498.082	51099.43	72499.20467	60851.42857	24459.49917	NA	25611.47308	35201.54014	12569.4524	12828.606	28730.604	60382.41023	19825.551	44019.97836	40378.69638	57676.499	38074.603	22594.50417	108268.4813	102637.2231	65296.05038	10549.674	49404.567	53989.73077	128438.9441	14160.096	40603.09777	10593.1254	38591.79077	115897.6558	26884.61767	48112.955	17404.0825	44623.32667	47791.4172	84364.907	63374.37869	63703.34775	22314.636	71810.90738	48679.61758	45971.979	85865.42457	25618.59375	52212.9335	86202.30429	22776.36717	100884.771	5986.494	15385.39813	48641.177	NA	14205.568	NA	10962.954	20787.942	31521.3525	12095.74933	170804.2338	27689.76	129848.5175	118069.8711	12043.9385	12040.49	45414.7652	30948.81533	46911.06286	12449.30625	30161.8125	32332.35692	45500.36536	53719.82769	17040.00133	76656.726	65422.542	117669.5936	62887.5	19711.4525	25947.54375	20088.52677	41734.03667	51386.986	25071.6105	33548.27415	27173.445	23545.57543	41844.69231	20385.82	28834.50557	NA	76104.98462	NA	49798.95631	38583.20583	40311.711	24325.12431	29682.03887	22707.66167	12226.91	NA	NA	33350.55692	26410.78154	41096.89177	NA	11128.57329	NA	8775.956	NA	NA
C336	LysoPC 17:0*	509.3481	C25H52NO7P	Lipids	LPC	50930-23-9	1	382348.833	254368.0398	499697.9769	214827	103978.4352	363218.7075	191627.0347	211091.5737	315949.8824	175079.7794	502189.3843	176018.864	732789.2398	241267.8012	509364.0945	243562.4071	293857.1446	298804.1435	235468.2579	376882.7696	189876.8373	824858.1528	300881.2853	342820.2524	154382.8574	242904.8325	261653.8944	229880.2427	317766.9977	119915.2344	552734.782	463055.9206	577172.8003	285936.7784	164878.9645	243338.5275	448447.7457	266139.2073	231058.7627	242281.0228	196335.6348	154818.4505	297226.9758	152832.4384	157893.9904	154800.8485	245076.6756	178001.2625	135056.2959	199850.2114	235225.8684	208424.9421	482467.7406	268220.8471	373875.9255	205072.7552	380047.5504	216108.1341	187733.2875	190131.0397	362458.292	371601.768	141992.0053	236531.9759	253780.664	252718.3683	236117.0015	205539.7448	185293.5915	228491.4719	476433.1496	324547.65	493306.9263	160892.3859	312981.4796	149865.549	389061.9181	286585.623	94840.75356	403129.8257	324703.1377	351833.0121	440926.6852	266769.1037	153343.9214	523770.6987	309865.5579	247874.6284	278150.2943	157445.3119	366596.878	292382.9424	237993.627	885120.7395	792274.4496	190138.2086	201383.2152	390934.5195	274298.3253	285057.9746	602857.632	277791.1757	580837.087	143256.564	232761.623	201583.6994	180759.9304	194222.1711	718234.7417	338489.2979	226519.7445	134411.3432	234686.7844	129259.4138	300988.8137	193805.6437	436661.9614	361768.3569	632155.0204	440949.3341	282790.8548	256377.9309	284870.6933	236056.9237	316493.9377	280820.271	100469.9505	167226.1134	353798.6979	609203.9359	180862.4318	184595.3918	396253.0033	365838.9167	378883.0572	221919.9368	332831.6374	458313.474	447835.1064	869948.9203	107413.726	138196.5665	324782.5248	287972.88	193486.3855	452088.4991	175654.0154	185795.4232	468704.5216	249424.1088	223925.388	218381.7885	620905.0904	161864.7838	162386.1653	270473.905	376121.0737	274510.611	119553.1792	138983.4119	225588.4129	175510.6807	320524.5187	506337.3117	289010.8337	351827.4475	695037.8435	NA	253983.7563	273347.3307	388771.7943	220312.7519	114413.582	201222.112	409472.9258	NA	140955.2301	653634.355	175295.6813	208655.7283	267200.0691	306362.616	119899.7025	342790.4404	174035.9213	299772.3893	281411.2635	105700.1085	218731.7988	386741.6703	359051.044	513500.2556	NA	373299.8573	154602.1956	423117.9806	250113.7187	560121.3234	161135.3597	233972.389	173689.2618	50934.835	148707.4194	333072.74	118803.2005	310519.9969	400830.864	168293.3858	123427.4825	324618.5633	124189.8321	140066.9718	150183.66	230921.7275	NA
C336	LysoPC 17:0(2n isomer)*	509.3481	C25H52NO7P	Lipids	LPC	-	1	278954.6786	178329.5061	372969.268	152501.8819	74045.16808	261822.9858	135725.6885	158446.71	207634.5977	NA	350567.2366	111341.449	581776.5288	182843.5164	371985.306	168676.0397	200532.3154	85385.4	157897.6791	266851.4926	129715.2554	621600.0004	198447.2211	232502.595	106879.0206	169254.4	199290.8914	169060.7982	234999.4722	82318.504	428815.674	341491.1249	441678.4615	212928.6937	125728.005	166857.5259	332711.2157	193046.048	172716.08	171807.402	125545.2448	105504.1191	NA	NA	NA	112878.2712	191893.1668	138050.4104	NA	164655.8264	160266.0453	NA	385140.7629	191514.6384	259213.2001	NA	296157.5586	151371.7797	132111.973	128688.047	258165.6455	259882.3993	97455.0484	170424.8151	199469.3083	181758.8966	175145.617	148759.605	128346.5988	162900.604	336436.8148	225804.5813	348800.7497	NA	237104.7326	110992.2471	262871.4679	218324.716	65840.9822	289855.5786	243838.8356	278531.8362	317175.391	199449.477	109632.2133	396350.2824	233118.2264	184004.5539	211510.5107	119349.6957	263394.4281	209055.4329	186135.8016	655682.9674	613110.7599	136845.5242	158661.8714	278832.8741	207607.095	204651.2019	450305.9601	200696.5125	426468.5121	110842.6541	168086.5286	NA	NA	142916.2363	535589.4154	243420.1807	168327.7067	NA	176247.0583	98931.50923	225888.1668	140464.758	325729.173	267321.5975	490163.7855	324840.3452	201533.6589	189569.6643	207623.9538	176690.4193	231873.951	204079.0747	75776.33538	114006.0186	254286.4825	467562.87	132362.4911	139552.9886	308144.8517	290115.0526	287753.8317	NA	259840.1371	365200.4634	346853.5825	674648.48	78755.49057	88417.03114	243204.0964	216684.2867	140129.6529	336452.0986	121316.9854	NA	371910.852	182417.6962	173751.0698	162385.004	460886.2828	NA	119706.0422	196021.5415	270233.2011	207983.4704	85877.352	NA	164272.3385	NA	250362.6076	378919.5445	213321.2067	268426.1097	530277.2741	NA	203005.0643	199758.2665	269851.3751	167530.7777	85937.32954	158616.0751	304655.2558	NA	NA	501931.3665	NA	153760.0553	193520.4913	225556.1862	87364.966	261939.0568	132497.9141	222035.383	221858.4293	NA	NA	296422.4123	267353.1015	374596.1522	60587.8752	267932.4454	NA	300002.5832	196986.9393	417162.1612	118579.6307	166679.0023	NA	NA	106631.866	244914.7324	NA	223645.425	300834.159	NA	NA	240304.1433	NA	105992.9612	NA	165805.8843	NA
C338	LysoPC 17:1	507.3325	C25H50NO7P	Lipids	LPC	-	1	50079.97342	26483.52654	25627.1328	116672.492	27603.7175	31713.33067	36632.52463	162725.7875	54348.08842	44965.34676	211912.1531	46188.25269	44862.048	21931.32108	272632.8115	57282.3075	28747.76143	148751.0696	110123.6034	19373.50575	16320.489	47323.752	50062.61929	37026.15771	17691.105	25949.1786	13144.00425	NA	70455.51631	24500.21538	NA	90535.965	NA	14493.4656	70497.56057	15487.1122	NA	29301.79387	62847.53363	24800.33215	57107.28	NA	51662.66914	56041.69371	NA	NA	178256.1661	8824.917	44616.94706	NA	16785.5625	NA	86331.573	75552.99687	72970.512	16408.875	121630.0916	23200.96987	56358.31775	62474.2145	166898.175	63395.85373	37478.96243	11125.7905	34488.3862	NA	11151	23776.18	37388.35294	506318.7021	276685.0977	NA	42602.01493	NA	NA	45110.898	73615.16547	75811.24	NA	286585.425	217686.3399	104307.7884	154258.5479	105259.1939	37226.42125	388419.4851	22643.42	NA	NA	63526.08643	80351.46625	46654.76562	NA	NA	NA	27590.75057	9913.782857	NA	177361.0486	114363.717	164023.599	73114.884	78471.786	NA	86188.6774	NA	90503.5834	120157.6909	NA	9323.078333	55268.955	12140.96707	56548.191	19385.8	22188.162	145236.1805	NA	115796.0982	59892.08167	NA	167712.1203	96390.03231	NA	120420.0775	53928.2395	258495.5017	15348.86719	48066.58912	30709.5552	105106.74	10152.56767	45299.16126	NA	NA	NA	33899.2584	112940.679	NA	NA	NA	57821.08738	61901.08374	NA	NA	54625.16	49292.09082	NA	NA	NA	405806.2566	81221.42587	28784.8126	NA	15802.2696	NA	76230.985	NA	NA	NA	NA	NA	NA	18324.04708	156507.7589	26043.255	66950.2148	184491.1765	NA	NA	83049.2146	97256.91467	67824.55765	NA	NA	NA	8024.562	NA	NA	150053.1191	171594.0563	217077.9549	96319.1754	21292.587	NA	NA	50909.67185	NA	31685.45333	43318.91357	65791.50457	NA	NA	52054.84479	NA	NA	200168.2731	NA	NA	NA	NA	NA	30828.78373	37680.08929	NA	31632.546	NA	NA	44570.7432	28370.63767	54987.465	38360.6166	25916.2022	36162.37318	NA	NA
C339	LysoPC 17:2	505.3168	C25H48NO7P	Lipids	LPC	-	1	59466.59143	47607.22687	28225.304	134434.9305	46004.244	73001.976	48529.55429	216154.4385	79840.69543	29508.7584	152085.4942	26685.2125	84506.61917	31973.13925	144430.3587	84202.7844	49146.3456	233630.232	221382.0302	63093.27286	44826.74192	87197.58017	30175.76625	44477.47683	26437.96582	37050.988	29182.46171	23707.994	46906.96667	37490.25583	60895.926	132775.8145	44919.329	30410.457	153642.4355	32686.82833	34384.8895	29100.384	51991.87356	32754.77725	31640.09308	14381.796	24094.55455	29064.438	14057.7732	11514.848	221861.2911	12315.784	89109.172	19553.77992	64546.4736	28236.26217	101794.5327	90637.93808	144336.0966	26721.74727	146570.9112	35652.01564	81366.74836	39126.15455	242941.6318	41214.36364	43761.598	25108.58	17458.926	35019.98727	30710.87018	25513.94836	35535.93775	320665.413	532088.0283	39438.79417	60760.89	11728.75527	43974.981	74084.53883	36106.06473	191942.0444	17098.34625	538735.3125	198803.6002	142665.838	199982.9625	160468.852	147002.7463	301670.185	32931.086	43836.14857	30965.27636	27759.02727	82368.02	68040.96933	45729.67055	131553.188	81412.209	45111.31418	21743.37092	123298.314	209030.136	293398.0813	165475.028	195017.368	190417.776	38396.69817	137445.9825	45260.98525	137214.784	90986.154	48781.15564	27689.2759	60009.898	25130.89091	70733.54733	23132.856	19584.306	127174.8185	66202.033	102759.1593	92697.36109	46539.66538	236148.9842	129957.4947	29540.61	161685.8815	239506.6917	226328.6123	7007.9516	66981.6447	100277.784	276680.9173	34863.80442	58288.28525	28067.87242	39778.8105	140475.3616	65755.29675	115720.778	37981.16509	71753.05818	141491.0386	124274.0741	86324.2176	85107.5528	20876.64	101330.5145	44572.5005	87946.40956	69627.4601	41826.7575	310047.8244	103399.0571	32945.42727	97620.5777	36128.8575	15967.14	83995.0682	64538.838	22948.08255	10501.06909	52443.19412	21025.18473	31699.56	31154.62875	143071.1333	30404.30582	157772.5118	144014.9336	28901.67583	15478.42467	41151.01714	125356.6707	78928.695	8266.72	41297.10655	31303.06727	38010.77583	28919.30286	32382.25055	116056.2265	226250.3953	132097.506	207810.378	16231.45964	38774.52483	20395.96933	96236.80582	40464.9751	32571.7416	28664.69673	27129.34	41404.41892	36026.02467	73351.205	37229.16255	19714.2412	183826.898	98407.68	41441.25375	46805.3377	35132.42	17789.996	37608.703	51324.31089	30061.52283	70986.3	44379.75488	24506.98375	41902.97055	55998.42038	39317.14267	18137.709	36923.46	33468.78	26229.7	20282.58883
C340	LysoPC 18:0	523.3638	C26H54NO7P	Lipids	LPC	19420-57-6	1	1514681.831	1058996.459	2337401.081	1208857.87	575446.0213	1103852.978	982897.41	1051651.872	2133785.923	1825713.234	3716671.466	1804285.136	2039196.704	1331805.407	1224618.709	1947814.65	2564367.156	2543392.863	2010944.479	1843034.448	1306760.234	4376166.121	2017935.6	2274728.85	937832.4117	1304916.919	1037473.033	1089729.17	940599.4735	981649.7354	2325224.928	1919424.569	2816400.147	1896954.4	747984.9519	1505087.491	1913264.52	1603008.731	1268136.939	1372370.86	1602281.551	1045555.725	2581063.968	1484032.902	1428734.259	868831.66	1348794.834	1488081.189	1073908.367	1220587.911	2194741.287	1574035.277	1958362.781	2099580.757	2080395.753	1637120.774	2839581.784	1178878.169	1564592.34	1190051.213	1353804.593	2279700.148	1007177.511	1953364.289	895476.1053	1906965.697	1651107.188	951418.0688	825741.9562	1034916.875	1962112.075	2100950.347	2006203.407	986123.837	839723.8765	812101.8871	2187174.181	1609113.84	601523.6142	1085370.472	1635442.703	1247306.166	1016166.597	1178346.86	1033332.091	2031118.185	1252856.685	785635.5245	1259734.767	797664.46	1950158.953	1090416.327	1265370.887	2281376.51	1640048.246	1001366.733	830223.4138	1281683.432	1924321.222	1428497.264	1441574.539	1017652.229	2086218.734	963770.5523	1157586.277	1220049.172	1039948.16	995712.7015	1348462.809	1650313.133	1041951.442	828225.5437	870040.432	608898.854	1090161.062	1140241.552	1276250.749	1152661.708	1806175.425	1574969.702	1650471.654	895900.0155	987919.757	903887.9138	1145951.252	1212099.289	545302.8514	1272693.807	946447.9403	1571406.442	1093022.554	922003.7348	867640.2363	864873.6983	1114901.931	1660323.75	916443.2865	1106297.163	1230790.572	1698626.676	597796.2683	1154556.14	1095225.632	884535.5522	863321.295	2466493.435	825142.494	1203354.151	1274883.85	1408033.875	820271.5835	1264424.745	2817157.182	1062388.018	793805.7588	1079614.179	1473613.154	1056644.88	634974.1172	859818.8482	741482.289	1266808.404	1792751.955	1966867.072	1457879.838	2067751.151	2080433.823	580643.8832	1027174.006	1171671.981	1897628.08	1235198.418	513296.1642	1002240.129	1150403.145	1960188.252	1042085.878	2780728.542	1017114.058	1250429.316	1315303.601	1414793.566	564141.1354	2592485.02	790112.5895	1803350.375	1124395.035	1156250.482	1361288.528	1946748.483	1611225.822	2039583.677	739854.3741	1541834.514	1018051.809	2363846.465	1174737.343	1398262.486	1030514.843	1058784.979	1027220.63	1238368.087	564314.086	1161465.877	917973.8338	1539926.831	2244975.135	1582085.028	825275.0113	1160586.492	789041.8987	773224.041	964904.1051	823031.0028	1111534.835
C341	LysoPC 18:0(2n isomer)	523.3638	C26H54NO7P	Lipids	LPC	-	1	145377.115	135311.6862	187223.166	130143.0592	81868.8312	90345.336	89664.12	122693.942	218012.5052	175732.669	410159.296	205144.233	314828.2634	121158.7866	193004.78	183376.7508	314306.19	324767.3298	248973.6812	241637.767	176989.1032	372408.6675	193422.1896	239919.7918	99407.1886	169330.378	122965.8136	125252.6664	103902.4812	104515.6182	362895.3524	313227.607	368935.7172	179816.4466	95051.4446	222280.8764	206867.592	170402.4096	137292.6676	165849.8336	183086.5106	115135.7214	314033.8074	215558.1528	148680.63	108157.3992	189931.3477	85211.60775	139991.8212	128569.5488	188034.534	194317.94	297487.6147	269052.991	296695.2464	160911.205	350123.43	115231.012	231173.2128	168920.7912	143489.2832	271351.5704	149210.334	221013.8824	101106.0944	213447.5328	248764.1728	116498.4372	92819.649	166994.698	391859.7352	291156.3503	300425.6345	104527.0408	76307.6328	123851.882	210499.5136	190580.775	89074.90667	185246.5472	332994.5472	200223.616	172348.098	169842.816	129473.2608	328110.227	190163.9168	122464.276	196913.5168	127775.5776	233033.176	170562.093	177900.866	405136.4598	154273.0992	152093.0484	125743.3838	241238.835	281148.39	310694.4225	162201.624	257262.5133	346872.63	160986.8712	237879.6504	159152.357	182170.4276	161770.518	229901.07	199697.5544	158724.7688	159160.1472	142642.283	97980.03	169702.1058	163886.957	194821.672	142963.3632	309259.9984	227445.7764	302645.8864	159833.9184	159485.4976	160052.815	180321.2704	187808.996	112046.0175	243117.6584	170836.8885	251507.1528	120534.743	159063.2064	93008.6052	162079.2096	248124.405	272580.88	137528.0192	206367.0293	188254.328	262188.0528	100224.6098	198949.1728	233508.275	120404.3376	171670.9267	512783.2797	111704.42	213110.261	216408.7516	249701.4504	137707.908	184249.26	469640.6902	150997.875	99159.9018	143194.4568	204724.3147	183427.0488	151318.024	97106.5144	114626.0272	195021.0084	259147.941	372623.136	213432.8768	373018.395	392222.389	90196.64	157416.5082	180461.8816	267250.2976	186482.1728	83055.3152	175389.152	194074.1808	321160.9696	201673.321	455833.7728	184750.784	242390.98	238668.6016	389537.8548	102802.817	509468.74	137804.2176	339367.286	286563.372	213375.6088	212116.368	336739.044	240973.7832	342451.808	114323.1232	240365.3477	195766.473	346760.128	183919.323	177608.629	137497.05	174693.376	137808.5	189444.3328	89907.7636	173112.9248	147728.1096	202745.308	284594.3922	192006.9624	121147.8814	143500.742	107783.8532	102119.247	80938.7904	99264.087	164504.6676
C342	LysoPC 18:1	521.3481	C26H52NO7P	Lipids	LPC	-	1	1354325.143	809486.3062	1334293.279	4741244.232	NA	NA	NA	NA	1294532.593	2864976.476	13628187.55	3572936.967	3737380.846	NA	12269509.4	NA	1194790.623	11425073.93	NA	1196593.952	NA	NA	NA	1757635.908	NA	4959159.396	743575.5073	NA	3697907.973	1581178.094	3196170.225	3304469.493	3293128.681	2793432.709	1847243.572	1517966.983	NA	1154616.683	3504496.075	NA	6638448.025	NA	11737239.28	12622559.78	703224.184	857138.6834	NA	NA	1481160.545	NA	NA	1606016.657	3494106.215	2356623.52	2710741.036	1959182.359	NA	NA	3909181.335	7059873.317	2892804.8	NA	2141955.802	NA	3682106.197	1155596.994	NA	1407509.422	1078771.145	NA	15049682.1	1034201.48	924214.8906	NA	NA	6280563.757	3903103.942	NA	1620901.694	6854972.856	30154294.26	6488340.491	2573185.605	3957736.356	NA	31337065.73	4795679.512	2321053.582	1358263.182	12284995.61	NA	4574629.506	1756934.289	NA	NA	1341535.782	731346.8845	6851484.156	25880821.81	20965909.84	14452667.47	16536367.13	9724519.452	1309796.631	7235313.808	920189.1872	6473776.986	14063374.71	1791442.82	818978.409	2141540.926	1037353.288	16873383.37	3612045.305	1550121.667	14438828.91	2811476.692	17145535.39	5312848.368	2475938.228	15307703.75	5167807.957	2181412.651	9373977.718	5197713.41	22392221.06	2685935.05	7943793.193	1613383.757	22767121.31	2750354.7	1898920.732	944921.0864	2882800.881	3507752.402	2243792.587	5124264.66	6390218.794	1801493.368	4049695.761	3344273.956	8480781.646	5939939.195	885265.2985	5340839.349	4855801.444	2935932.436	1952561.305	871651.7709	NA	6149808.751	2477951.548	2112881.265	2448727.396	NA	3580562.215	NA	1071157.357	2576982.425	NA	807769.8389	3601521.268	1189899.824	13840540.95	2249052.271	33131150.71	42217790.17	1504897.764	563895.9315	16991039.58	NA	NA	1468063.652	3239107.736	759328.4925	1922498.702	10271053.8	5006443.28	31163042.67	15935659.25	49730777.09	NA	5976270.722	1143521.632	2986476.517	5740045.503	3234043.646	3780426.075	9489257.556	8608784.135	NA	1810161.704	NA	NA	1846356.992	NA	NA	NA	NA	1188907.152	NA	NA	NA	2426611.648	NA	NA	NA	2128361.551	NA	3076676.969	5891780.69	NA	1559018.101	NA	2390845.147
C343	LysoPC 18:1(2n isomer)	521.3481	C26H52NO7P	Lipids	LPC	-	1	3453328.669	2138811.022	5254961.387	21220522.72	5179085.371	2176736.456	1981325.07	15348992.4	3310366.464	11310795.11	64119026.18	12164183.74	8604693.957	2990976.116	42086815.68	36560805.37	4688501.307	36788294.61	15953624.43	7709661.177	1712912.062	12170827.32	8094728.053	4689767.011	25952578.78	13885129.47	2145278.182	3452583.991	13245055.99	4726174.732	8456437.097	7140759.43	8666236.565	8685014.454	6583706.426	2947431.352	2568903.329	2731560.876	12031894.39	3969895.06	18407721.22	654854.9853	24545957.67	24030511.28	1545380.304	2123707.606	38011347.54	3179579.261	3244014.165	3043118.135	3010466.4	3656327.064	8357745.794	6229893.789	5915584.307	6610130.391	27989633.1	1521256.798	9080695.056	15185904.94	12899050.27	7531113.088	4865045.357	2741997.408	10431407.7	2678956.302	922199.8294	3281110.316	2870231.345	131716502.8	35679094.01	2097617.158	2005699.073	1282089.334	2203919.825	13403483.61	19139439.46	15272943.85	3482510.371	16814260.44	49563644.77	16581537.11	6826625.471	9224521.163	9434695.176	77970822.11	8987791.313	7225201.247	1572200.33	26859517.48	10571593.9	8714911.056	3429732.643	3018658.981	2313534.399	2196154.258	1109591.804	12658121.21	69066244.79	38205910.47	49798012.19	25608970.05	17931396.44	2012193.525	8852729.67	2271341.58	12827343.18	28332677.25	2265378.801	1159384.32	4771721.725	1110189.616	30075459.22	5898724.407	2742599.871	40267581.1	5726868.828	55846560.71	11242206.95	5661170.052	27511883.59	11389772.6	2794521.563	14662433.23	13355528.42	51092511.6	4319484.04	10498379.41	2817062.155	51830274.98	4686207.471	2262780.916	2125977.647	4080059.425	5566384.922	3872013.577	17904239.81	12153372.82	2464285.293	5875260.084	7898907.522	11413033.14	4335654.105	1206747.454	9319592.835	5771493.51	6005053.295	1803647.641	668919.6375	174627446.6	9230806.799	3786323.467	2239681.05	5132009.22	864726.7808	20363238.87	2401547.874	2241308.859	1808188.137	5404631.423	903740.8395	4174095.227	1205300.062	19308651.9	2986329.323	42289599.11	39333604.43	2086537.729	1016825.758	20446522.18	10950898.58	7927091.557	1352166.737	3123759.064	569392.2297	1689603.243	9473079.174	6255013.828	35911235.67	26892338.03	51180196.27	30838524.68	4973821.397	982777.1827	2986397.083	6139727.658	2717976.6	5555507.943	10623466.72	9196869.831	1705160.214	2001955.049	9692812.701	2604643.029	2409979.317	68162163	35998218.01	1828818.14	4683034.031	1249617.332	1368692.519	9698572.623	3015737.505	4381913.773	7060103.104	1744027.414	2044619.705	4424907.471	3425324.232	9901987.481	8988007.761	2527644.413	5068668.219	1004326.585	5222295.502
C344	LysoPC 18:2	519.3325	C26H50NO7P	Lipids	LPC	-	1	869098.596	1017066.054	464896.611	1119109.992	806072.76	597567.098	506878.9195	1390691.056	875180.1862	514639.4183	1810916.773	485355	1536408.437	379211.5	2164157.368	1243752.046	1004446.363	3036371.404	2872932.861	1312523.579	1403408.054	1198437.9	521050.5453	929922.6521	592469.5609	1237840.546	493364.4731	528984.3323	734942.0308	620303.2811	1665958.458	2076595.662	1098136.216	631251.514	1495015.599	870198.3279	673140.65	1044765.153	841511.35	846592.5728	757252.1407	306561.8	812696.6073	888236.1703	366262.9837	396781.761	NA	255967.434	1370609.282	308760.4622	582530.8942	746234.4915	2722814.178	1206237.459	4221020.467	925409.1145	2995164.38	551603.0119	1836532.784	1507518.746	2608245.49	879121.3905	1137170.768	599628.0555	758543.9006	725887.6762	737027.0158	604742.841	1061220.856	NA	6790192.067	699143.689	990248.7945	246351.3605	595693.8469	1573035.927	1111553.591	2575497.77	604545.9007	5020316.378	4933365.288	5080023.104	2687846.552	4578346.08	2185680.483	4006041.371	1237518.005	1534975.393	934168.9042	804343.7967	1757546.268	1961491.117	1565429.033	2962804.012	1018076.162	1172384.871	496852.5623	4976731.459	4783887.827	5407057.973	1965974.694	7032833.835	3980567.466	1493119.489	5714935.172	647771.3182	2502188.783	3036214.863	1898329.916	558509.8876	1265760.106	717836.5115	2022861.001	559268.7215	678762.2429	3258769.325	1887923.505	1922104.109	1973721.188	1318380.081	6917840.855	3703678.118	1122834.411	3217677.315	3940692.744	4074541.841	370159.3009	2557814.548	2374970.597	4328826.635	881364.9188	1256274.466	541078.2985	1237584.73	4520247.741	1154526.208	3340406.829	992187.9522	1759914.621	3718686.954	2846944.196	2924665.043	3371100.331	649318.7295	2503607.109	1806076.006	816853.682	1019615.442	1143787.836	NA	2577123.979	1051635.75	4069434.301	681783.8648	594497.3482	2356312.038	1918970.373	1020039.247	686800.5674	918034.9478	648549.9789	1870946.842	784358.3995	7819787.083	826565.7005	4839047.9	6121806.547	838812.7508	436008.319	2143289.106	4082049.08	1889083.113	793096.65	1653113.829	1112819.948	1405547.969	2367418.549	1995551.608	4673677.519	3287538.656	5481319.687	5017384.73	950046.4837	1397038.217	1139797.517	3817556.756	1629806.557	2163967.764	1528930.747	2020761.88	1019807.902	1393257.8	1463706.729	1071909.09	1078396.525	NA	2346053.125	1491468.491	1553030.298	1683348.812	891002.0209	1710891.156	924054.7027	1161077.089	2740118.151	879759.6503	1055051.178	936554.319	1697250.783	812115.6542	1229205.124	817911.1369	601897.23	431731.3	538220.5535
C345	LysoPC 18:2(2n isomer)	519.3325	C26H50NO7P	Lipids	LPC	-	1	708513.148	416268.44	356462.3535	587677.312	643390.6556	361612.566	306727.0635	974823.1325	574272.4313	318998.84	1234329.687	344929.3316	1186870.234	273732.942	1613242.735	629909.0175	730278.575	2095535.78	1820173.638	937994.841	652522.764	877226.4876	336024.8905	699293.3376	421369.386	514743.068	353453.3024	320453.2252	432889.844	371131.299	1165525.871	1466646.18	784201.6512	475479.1552	1173826.445	656417.4358	501912.0596	476656.8646	498475.2308	600065.5648	537005.95	208287.1296	578034.08	628250.74	263274.115	310141.4403	1564745.431	185267.3078	901281.225	195096.775	423100.5345	565752.9636	1079081.654	879365.018	1922984.713	429765.3822	2169735.467	372611.1354	1331146.874	786267.632	1364619.732	661966.3932	870562.0406	431427.0744	371896.8072	530117.8932	487434.2568	455232.3342	543206.0354	2120972.214	4054475.16	532990.986	772926.624	190418.2608	433272.2688	1140354.237	905664.2292	1658503.98	453561.606	3337773.163	3715032.389	2238164.285	2104157.227	2257468.06	1396821.882	2549556.345	1027272.74	858369.4667	859832.9529	614483.1036	855738.2352	1072265.572	1044327.445	1626252.098	739833.4482	732826.4167	395629.75	2593061.68	2039464.622	3867438.12	1377771.142	3639676.453	2764061.308	836878.3827	3429391.268	484640.8504	1803417.132	2205340.145	1574178.879	436080.904	947611.882	618798.9536	1393965.223	431519.499	492427.2514	2306438.242	1356997.674	1136274.496	1622504.121	977949.19	3353855.729	1559140.071	857332.2972	2248196.982	2644283.484	2739536.254	268962.904	2117891.355	1268681.96	2773535.355	717678.96	1015747.557	386421.88	972481.912	2655615.283	771848.5558	2324536.722	686687.2188	1453669.028	2028983.731	2226409.337	2358597.881	2571410.913	470047.3064	1978181.76	1464432.699	1060130.32	1605828.493	963206.946	3383082.476	1949855.635	744022.4624	2677976.787	520731.3622	313530.5852	1207620.029	903395.556	870078.8571	655717.9249	629477.3112	516258.7043	1480262.249	665998.3357	3499852.621	644818.575	3430311.782	4239490.756	714809.4429	391139.5571	1579707.36	2079516.225	1281548.012	630752.1909	1398217.446	998726.2688	1194203.2	2036257.786	1210802.34	3479652.415	3829505.82	4040731.039	3169360.376	809955.1989	1184120.832	746525.0429	2822818.926	1443132.562	1912474.305	1269419.739	1737204.079	767682.7387	1244893.869	1040834.7	814566.893	888732.0371	2587084.808	1567635.314	1189606.413	1054921.597	1083437.949	448250.9374	868826.7863	727668.36	614223.7836	1472005.211	638095.0884	653476.6354	667552.9196	917308.6916	540878.6096	671965.0857	693815.4855	355399.5928	325233.7592	370728.9876
C346	LysoPC 18:3	517.3168	C26H48NO7P	Lipids	LPC	-	1	4936766.071	3122207.933	NA	NA	4610625.079	NA	3145342.397	NA	5630759.352	3628423.891	13008205.48	2218574.29	9683628.255	2262570.36	14328326.88	3950965.852	5287619.902	22948726.41	18861423.31	8591608.178	3819236.872	6609317.787	3952243.351	4184919.212	3614169.766	3676577.992	3003568.224	4635761.264	5013363.34	3537421.255	6765779.009	15553822.32	7147819.919	2282881.636	15696295.32	4904353.011	4242660.052	4878991.817	6843604.462	4583543.276	2667226.896	2059888.719	4010590.786	4788080.691	2495378.575	2162843.432	15753748.47	1955027.894	11936556.79	1657208.672	NA	3398813.381	9834872.362	8473085.6	20202944.71	3294903.09	19461954.65	2958391.684	9245909.61	6462772.412	NA	4933590.337	6360382.275	4569812.712	2952273.535	6460177.688	4887949.948	2988378.357	4112789.85	21705212.84	55421343.57	3153174.35	7538133.716	1457976.847	4969435.817	8163780.957	7822053.302	19426522.25	3209147.49	44301434.75	32520759.77	21849210.14	25654188.4	24435276.28	17472391.85	34644383.9	11953837.6	7025890.027	6423891.313	4592388.745	10821161.94	8248020.571	11964439.48	22321728.06	11203291.06	6404866.841	3310332.905	22827957.7	17209341.83	38996324.49	14363374.61	46564667.79	28796044.86	7816934.554	31764518.94	6430290.606	19768641.83	16693945.55	9758107.642	4214185.266	10665741.25	5409811.798	12953679.22	3886018.54	3696703.688	20297530.49	14293370.13	13113834.78	17200435.74	9478566.944	35429399.66	15801610.81	7417568.065	32873251.71	29993808.75	32343894.93	2057783.714	26757309.95	12573163.79	37069574.85	4771896.58	10379151.67	5253900.04	8916351.012	29118408.84	10578685.24	27607087.02	5725817.29	13435849.19	22254363.65	18208683.26	20655162.07	20959648.05	5394389.583	20464450.1	9744090.451	9329353.872	15966261.12	7520879.158	39116739.96	18098990.34	6093998.7	22374740.09	6052040.317	2689596.38	13181887.4	8430142.755	8032810.679	4535273.426	3212455.909	4512983.163	12291155.44	6451174.884	27048682.16	4209323.17	33123742.1	43258800.95	6633091.427	5088513.33	13324425.99	33059694.66	11609696.85	5462837.853	11730256.83	9361034.873	9680306.717	8454647.13	6598125.177	23883403.28	39011796.02	41535417.64	35416177.07	6433885.196	16243004.52	10049504.81	34829692.38	10578034.36	15207895.97	10134822.04	13877667.63	8302131.014	9700314.312	7220492.377	8031094.06	10525684.58	14318858.77	9306484.032	7272729.014	13142819.38	10079856.45	4098600.894	5020380.38	7655191.422	5425232.355	11890447.52	6527060.44	4555047.713	6267081.024	7890738.552	5357533.313	5592428.325	3187597.809	3375742.768	3184916.874	3181655.293
C347	LysoPC 18:3(2n isomer)	517.3168	C26H48NO7P	Lipids	LPC	-	1	4738093.559	3427744.134	4446659.644	7577683.076	4650855.838	5017360.268	3996033.405	11809166.02	5928276.921	4413149.187	12870507.44	2254886.363	9755181.737	2824914.729	13231903.18	5459720.97	5109072.803	22410630.72	18174416.96	9974169.43	4294421.967	6477426.261	4316756.025	4723182.633	3947693.444	3934856.678	3152299.056	4186211.12	5455692.525	3677818.066	7170798.5	15666350.16	7339507.278	2754072.374	15330559.25	4970604.352	3884099.616	5051772.977	8433054.598	4348783.268	2755011.865	2202061.451	3707928.608	4481949.651	2820579.811	2222531.668	22672923.16	2116324.795	11595872.69	1539812.331	4190520.371	3847654.229	9018940.374	8444389.793	20134705.98	2978023.057	18768619.67	2776722.045	8951238.426	5863495.77	10182936.28	4770746.22	7033536.111	4670319.8	2942387.137	5783972.103	4758759.847	3467014.815	4747585.59	21370009.49	57368665.75	3342732.623	8148460.354	1552503.631	4941225.688	7810285.354	7311570.971	21230689.55	3496393.03	44564466.94	32899078.92	22592396.83	26582787.32	23854178.01	16821957.91	33674629.48	8313205.355	6902254.448	5691188.231	4147581.186	11128355.56	8458503.846	7865509.135	20621939.32	11365985.69	6571394.727	3072293.343	22023481.63	16614662.63	40848664.75	13187034.81	28592980.45	29273277.32	8212331.787	28438260.48	6200689.701	20257602.15	18228942.84	10177331.03	3674919.688	10473436.77	5184235.577	13856966.05	4229063.672	4134539.063	19859154.64	14382641.04	12907518.14	17142378.69	9452553.425	32085437.36	17216650.38	7625497.025	33983166.11	31081119.65	35043856.04	1921145.184	10538464	13167125.09	38141701.19	4934496.238	10481671.56	5350875.639	8888452.292	28382066.77	10418992.56	18929799.52	6147227.83	13049159.83	23058369.64	19048515.7	16164392.99	23663297.25	5184199.785	20974755.31	10038158.44	9273692.999	14903518.95	7665683.954	27329358.41	18643848.37	5877811.17	22902919.8	6119863.853	2793934.162	8616565.291	8060577.967	7826255.023	4444702.829	5230130.497	4548450.875	8459083.199	6223796.193	27131339.72	4340785.878	32778957.71	43775723.84	6316519.148	3310588.436	12693068.6	21558446.8	12107334.42	5230724.492	11505487.55	9448913.327	9568926.133	16268317.85	6636650.813	24080057.64	37555087.09	25521329.22	36556036.91	6826010.453	12530660.15	4485437.236	25376464.5	10664768.52	11491002.16	7216857.163	13999395.91	7805525.216	9624716.179	7143937.411	7942193.473	8070064.822	14497002.82	15389407.05	7322354.193	11048035.88	10022427.88	2512919.147	3555602.809	7848791.296	5582301.48	6614375.696	6805307.347	4810731.981	3627770.25	8436669.151	5455217.272	5295008.998	6036417.643	2020037.766	2064559.49	3085290.57
C348	LysoPC 18:4	515.2972	C26H46NO7P	Lipids	LPC	-	1	5778.364308	8093.37075	5649.606	45249.26763	8015.179125	7726.820625	5750.411333	20305.28962	NA	NA	12800.26785	NA	12471.66786	2765.639333	10996.23646	NA	6897.9435	30430.389	26681.59125	9634.440857	8236.131429	11218.56508	3665.062	5069.031375	NA	5644.659	5021.615125	7638.4652	5167.859625	7841.099538	10905.06188	22203.14062	8539.545	4496.1965	27529.97212	9252.412615	9245.77275	5372.199	9715.361385	NA	NA	NA	NA	2714.5155	NA	NA	61617.28025	NA	19959.789	NA	10258.16412	2594.508	NA	8208.06575	28420.119	NA	18110.47538	NA	NA	NA	58455.37062	4119.51525	5866.733875	6177.470923	NA	7806.63325	6015.821538	NA	5922.15525	24480.0675	68285.46258	4182.223	7268.343385	NA	9979.817857	12508.25429	6466.29375	27002.57538	NA	81327.961	15799.77712	27216.93692	52262.056	68413.10613	38366.18585	41809.50107	8992.657143	5498.933333	NA	NA	NA	6757.828	10468.26083	27260.58725	21939.86954	NA	NA	29032.00238	28258.944	35710.11253	37425.50646	16618.5565	28313.87679	6839.526167	13681.668	7499.46525	21629.63393	16864.96462	11751.45725	NA	8130.82025	3185.8272	9525.604625	NA	NA	13560.4035	14359.84562	17455.64275	16067.48714	13432.9628	24619.53975	38971.62263	5051.97	31357.599	60067.01638	26100.53169	NA	12411.7035	18554.27475	59725.16738	5185.388875	4669.798	7988.286786	NA	28883.88312	15201.21723	21130.90027	7064.347875	12738.38775	32849.09025	33636.0128	12315.87457	11851.6656	NA	23487.5664	NA	16969.0815	14522.9776	5435.372833	33140.92062	20249.66919	NA	17554.1275	NA	6351.744	14533.75536	14460.70607	NA	NA	8123.727231	2037.4976	NA	NA	32141.8195	NA	18098.40487	15154.1136	NA	NA	NA	17034.28393	11504.87262	NA	8785.308	NA	NA	4900.3432	NA	NA	41004.57837	NA	51893.86892	NA	NA	NA	22561.70057	NA	NA	NA	NA	NA	6370.401333	6459.028333	NA	NA	22022.31231	19381.4608	16546.80506	23671.556	9126.770333	NA	4440.81575	7236.496071	NA	15711.30544	9167.044923	5663.633231	NA	NA	NA	NA	8457.11775	NA	7148.691733	1207.206
C349	LysoPC 19:1	535.3638	C27H54NO7P	Lipids	LPC	-	1	132997.1871	108609.3174	240649.8277	601751.9742	86327.1234	472646.239	120040.5	500640.7446	158893.3477	132765.3002	1523428.645	176750.0264	920246.0271	194571.0675	1603764.935	222299.5011	82781.268	440585.8791	244430.3872	250612.5312	95710.7606	590514.3405	211075.0274	176621.2244	293274.9655	327626.4944	86248.73583	143935.2267	615616.3389	58317.99714	522449.178	641866.122	334510.416	94364.13483	277324.845	77719.54	155767.786	56854.4025	280642.4153	53982.2592	104540.268	50261.05286	254395.9111	229451.2164	75185.55177	71143.75471	1204492.84	127667.7109	132132.1749	271329.336	NA	54521.75933	760389.12	211678.8188	341628.729	278292.9914	413922.65	174501.558	164377.9456	225149.398	607209.453	137158.0375	105579.9643	145007.6962	214368.884	157132.832	60953.53262	92548.64	93017.76	1630323.209	1630211.112	80749.76	384332.5968	20452.106	186543.3433	808175.2315	139953.0124	565800.0024	51220.32214	1856711.95	1821913.754	1340278.503	480670.2358	247283.4	112711.8197	3853542.165	396573.1727	147681.068	113250.0825	190264.8343	403675.3797	138134.511	65203.075	465866.856	203117.1333	34424.29833	39723.53667	578810.848	NA	1116441.162	1595336.791	1028834.991	1736614.079	73408.824	335715.2077	141073.024	336451.7231	652734.3291	308058.39	67441.31875	107736.8305	NA	527445.826	185721.7287	192364.325	1179759.031	655795.0049	670182.6415	899484.2558	243088.8613	697300.695	454272.546	143717.5404	706233.2198	628813.8757	2200172.4	151607.5221	79170.91125	212808.2242	2261807.389	107145.1583	144183.78	196977.2	352175.2985	1315396.536	120002.769	517988.7684	632430.884	380167.334	1202447.038	351086.6754	204515.55	274085.3735	85820.541	195503.5647	352830.9288	175442.9285	33743.8336	39635.8838	4410101.742	413079.24	111151.6463	190749.96	NA	85692.15092	504025.857	139328.738	97813.584	63875.48671	149747.7686	97491.15186	131982.7834	81372.225	875363.6325	NA	933594.48	1899830.269	56255.214	33005.3405	458364.669	198870.3882	359537.4692	108285.731	128513.166	183501.0493	NA	149442.8499	172843.706	389677.2686	395760.272	1025008.931	1293568.854	119054.852	89333.11543	169449.0991	222424.3	177361.2143	NA	120106.553	430680.8308	132638.2787	194066.5037	NA	NA	NA	NA	588493.081	270570.5117	396922.6777	NA	NA	88377.094	149523.2329	140356.335	177007.0338	130960.7955	128289.8905	106631.8142	102340.224	449035.3249	153585.8434	80307.78633	109102.2077	99614.11671	61549.684
C350	LysoPC 19:2(2n isomer)	533.3481	C27H52NO7P	Lipids	LPC	-	2	23376.80743	34042.89273	26431.50892	38931.71783	19450.176	19932.688	21753.84018	47286.84273	27985.11487	25634.6727	60489.99514	19925.89067	42552.699	22686.838	41485.97473	39858.87636	19910.9575	43170.26417	82402.08273	22228.74836	29242.26182	51908.94273	47992.4688	29259.94018	25067.71	28149.63183	18631.16	24975.75205	30077.59873	14767.7844	43667.91	53293.88427	40851.85236	27271.75664	75807.62667	18979.086	19720.111	23782.0156	24499.14787	42515.682	54470.02275	15586.857	34578.15075	31435.18382	12659.2928	12746.69322	58311.102	19070.55343	43560.3994	33857.109	22757.609	21297.8838	31835.31057	38014.02325	36609.738	26322.24267	124496.0733	17902.84583	40261.98	44380.89508	82747.30833	35880.50667	27764.71727	14134.44909	12134.9864	20256.73818	NA	14991.2115	22905.4595	128810.3283	155799.258	19349.74636	47684.81864	4619.34	13586.81213	25564.572	43981.63135	48010.6095	17291.87045	103652.772	54593.39286	69814.78755	35583.58345	57501.064	47469.37827	55176.459	24558.98233	23377.8105	42597.91314	19633.14245	48444.42273	23856.45767	18538.142	34186.608	29980.694	NA	NA	61360.43564	72769.7685	66651	28760.5692	42874.607	59221.03875	NA	33090.93814	32482.18842	55052.02991	41156.07429	9745.90375	22845.87327	21221.8461	NA	45815.84133	14022.05357	12419.2272	100994.495	NA	44161.68575	NA	8875.56725	75007.14036	38376.32145	13862.072	42912.44055	84648.89475	69859.28083	9814.289455	41208.27545	24806.71909	65317.99273	27554.54317	15694.7205	7658.8575	NA	74120.26073	42548.688	49258.9	NA	26530.87816	57796.731	64003.284	23388.0588	NA	NA	50869.64025	21839.42588	30161.92	NA	NA	72363.811	45950.33262	18909.696	24867.192	24158.85582	NA	41698.46142	34897.36083	NA	NA	19261.97273	NA	NA	NA	43853.3935	NA	55934.41827	48133.71182	NA	NA	NA	57556.45228	NA	NA	20347.614	NA	23762.3435	NA	71038.218	82535.58042	217234.2333	64890.58971	72959.38164	19541.704	NA	11360.1816	75606.597	17136.12364	23910.6375	NA	NA	16427.112	NA	48906.504	17192.80975	NA	148231.1182	37379.47273	22474.3205	45858.76846	23070.95936	NA	19418.93475	NA	22579.02245	43552.674	17938.29742	NA	29914.2085	17806.97786	15618.80245	28206.56632	18043.272	22518.31725	NA	28807.58708
C351	LysoPC 20:1	549.3794	C28H56NO7P	Lipids	LPC	-	3	44946.19445	34349.29225	39550.11	152893.5255	41436.37454	53326.896	53397.80487	139187.8145	57725.78073	64765.00518	431389.2009	58146.7944	91397.14708	21244.18629	193958.3928	151506.8432	50594.65633	213283.5084	213025.5723	66149.502	55298.54033	206911.7712	139830.722	123951.9369	91190.17223	53213.97925	NA	41219.937	75941.8715	65992.057	148645.2736	103514.5472	119804.3138	106592.5974	73500.39692	77586.02708	NA	39503.40682	76658.16548	58229.04442	107862.1463	15426.964	75799.152	159483.1072	NA	50191.12908	245033.2177	62915.01984	50070.84854	39183.51683	61657.21625	48647.25818	111682.089	126859.5953	81767.79446	109505.8157	150710.3956	NA	84990.15933	162276.7233	222026.712	70659.7532	70689.696	58340.2086	NA	20935.04914	NA	49233.11979	74069.11979	529249.5604	363022.6708	NA	81055.16864	12064.0185	NA	122851.1614	95438.70182	135202.6025	NA	193016.9446	282142.4958	137547.0666	84359.05114	95251.67733	79401.95585	373780.3074	55088.2701	NA	24449.72229	79311.97964	174463.1611	NA	NA	NA	82490.88	26899.73845	NA	97286.75667	256235.4388	230881.8438	119709.9706	138299.616	179335.9873	NA	170366.4037	NA	100141.594	136073.4609	34430.2525	24565.06171	53268.4145	NA	107527.8943	25332.06	37133.69673	265156.0556	96938.95839	177849.3954	99056.29108	NA	174383.706	79917.93231	NA	106989.105	114814.73	277402.5622	NA	108498.649	NA	305176.5343	64775.4498	NA	NA	NA	138050.2194	92448.93408	116258.415	92183.93125	38793.13067	NA	92478.11685	128744.9018	NA	NA	63841.36123	67963.18375	78081.34656	NA	13221.32514	723291.2773	119825.7748	NA	NA	58442.32875	NA	66036.04462	NA	NA	NA	51236.13185	11796.52586	43258.37727	NA	260768.6596	NA	196412.6315	171133.6323	24506.87	8935.684857	167505.0481	156781.7805	NA	NA	NA	NA	NA	44636.96836	NA	202866.282	299759.046	377613.9069	244814.7305	NA	22946.86157	NA	NA	NA	34221.9735	117568.1513	143343.7978	24417.7499	NA	NA	NA	NA	605610.9896	170059.5917	NA	84214.63981	NA	NA	NA	29128.92092	NA	102957.6708	74759.82816	23854.68	NA	NA	NA	NA	NA	NA	NA	38260.2846
C352	LysoPC 20:2*	547.3638	C28H54NO7P	Lipids	LPC	-	3	51048.10575	36957.627	33232.09145	42920.24	33812.3835	29701.898	22301.30186	40433.906	39379.174	26848.8006	72103.53857	20231.24125	52359.699	25725.964	53597.69171	38056.67357	48334.72275	97159.80857	71689.99714	54264.015	42355.72237	71590.068	36655.009	50803.20513	26176.1665	38715.72412	35242.91018	20954.928	23531.799	20658.092	81581.115	78255.82875	43606.2235	41626.2495	51396.662	55358.286	43319.35125	53434.09191	27974.988	37621.724	34810.10775	19907.443	38093.6175	27684.489	26814.02092	30328.35058	NA	25831.464	60382.76475	14926.41667	36425.214	43789.12673	57586.55582	40660.78	95416.065	28517.51475	55501.30625	27933.45083	58156.27125	52243.428	85588.90214	48849.15633	49361.42036	32342.482	21293.31342	54233.03836	39711.37754	24554.52085	38890.73618	63911.5605	254079.8155	43138.56692	44382.13242	18227.638	33984.48317	49557.911	47699.02317	54406.24387	21493.90375	149407.096	120719.586	74398.90162	82133.64	92347.59925	56304.2505	93692.547	47583.91018	39200.64909	57621.825	22780.45	59147.79	47600.0525	65111.88133	113036.2757	69604.904	49262.10545	33835.85683	120045.5238	80099.47	125188.6449	53313.61887	117202.24	122559.8487	40818.57755	119286.7008	34099.62545	66065.17362	86222.469	104630.8811	51327.23867	34364.08875	34437.05667	56879.138	21933.98567	31727.49125	72671.145	62987.2815	49540.9375	70859.366	55230.58625	134017.2218	55876.5585	45688.60667	91038.03225	89446.653	70862.62857	14668.72	77698.53175	51929.0485	170548.999	28132.76618	53653.292	31288.83217	40556.00945	131817.5075	61121.86533	99603.45818	42888.6075	59247.651	109633.2142	75408.612	72909.6	114737.0787	36730.88	53120.8206	102323.85	44262.5715	77805.18725	71982.4975	122491.4284	69206.775	53869.27208	131218.5875	30383.77867	28953.05515	57764.64615	50632.24833	39909.246	29280.5475	71194.7272	29483.452	75700.0095	44379.77885	186725.217	46158.54625	163364.3958	165153.089	26616.18923	27088.18154	59230.49333	105595.3825	52710.332	30589.51254	74643.36462	47018.94567	66356.82762	55641.85	53922.11446	138708.1037	177182.4883	121260.2988	128636.0377	26357.14062	62532.13562	34999.99023	135457.5565	59872.01538	56418.53	55578.97385	68044.50625	52849.14062	62810.83392	79574.364	57150.483	48218.544	163102.3273	82007.42945	59320.70769	62776.08667	56048.855	42591.6075	34582.275	36257.43836	34566.18415	52578.1425	81053.8015	52162.39908	46033.76615	45722.47433	27098.73833	22970.188	30568.55836	30389.91346	34760.95633	22158.8535
C352	LysoPC 20:2(2n isomer)*	547.3638	C28H54NO7P	Lipids	LPC	-	3	31054.58214	30789.62587	20349.92975	79274.74263	34393.568	37635.152	31314.64	73412.69162	35768.5405	19868.55043	121161.6074	14257.60875	50053.971	13418.33012	75699.29333	32993.19	40025.80725	139242.4538	147523.4096	47184.10971	43233.4665	38456.48571	21779.991	31957.055	22772.764	22442.99357	22946.248	16063.94313	25571.32171	21689.09562	74558.71625	70906.088	32434.16525	21261.40386	105600.2857	36301.83612	27017.70457	24962.03714	30910.6225	24447.56343	27507.71375	12725.17929	15668.77	18885.76725	12786.23186	14320.278	214071.3166	14669.944	60633.07162	11427.45875	41607.57778	22980.89343	32599.55571	34172.9125	87838.99325	15281.29829	64273.28333	18709.47138	59370.1875	21453.11414	188178.5838	20790.24743	28376.79329	13671.87429	11752.782	22160.32786	16116.86943	12910.25813	20903.27886	183499.0892	436982.9126	12182.287	24852.712	5398.33	21733.66114	45953.37	21484.32429	101318.4065	12691.27486	246496.1247	105831.8493	92999.40175	104356.3744	91592.09062	74032.745	112739.6891	22682.32757	18391.80657	15970.91143	15118.29857	34742.31429	30398.555	27657.14286	59577.08614	52826.75825	19597.41117	11927.14933	108714.27	94839.80267	128214.2081	72443.07125	94289.73625	103057.9894	17166.87714	51665.82229	17570.88857	53766.39086	79998.70888	41920.07071	15674.415	25516.32686	10637.52171	46655.79243	9604.736571	18028.107	64286.924	39423.393	64358.192	53738.68888	23288.28188	112653.7643	55236.24225	19196.10914	86780.96162	102503.6729	103812.1869	5889.282571	35592.12257	34090.292	240609.7687	14554.59871	23043.969	16608.67943	19085.20613	119316.2358	22701.184	71864.26125	23360.04029	27681.34971	65666.182	65872.365	45569.59225	39284.84114	16142.973	43448.2555	37551.87214	35394.15125	23249.205	17321.13467	171681.28	37008.33029	19823.57143	58517.64286	13934.28343	10351.91357	30012.19937	25092.01886	14308.40171	7241.716	26447.985	NA	25525.29457	9672.355	130067.3536	14081.926	94181.85562	62739.95429	14865.61338	10067.24229	23364.62757	42940.70186	25664.04	10248.527	25557.01114	14807.17933	18801.3435	16750.4625	17053.50857	78616.72775	116194.2455	52095.47029	223003.9451	7812.0795	18882.28571	10533.6	52524.21429	17127.78571	16055.23143	20679.21429	26415.63214	18821.48857	20379.85714	30447.796	20992.29714	18410.85714	294517.9385	67539.8325	25436.78743	35914.06125	24176.51671	13818.64629	15636.64171	19203.79125	14344.78571	31831.68188	30784.91063	14027.31	21500.40271	23848.29825	19921.746	11171.37171	21460.232	15121.025	15672.33143	13488.0625
C354	LysoPC 20:3	545.3481	C28H52NO7P	Lipids	LPC	1199257-41-4	1	16970.13831	11820.9255	14115.50969	38200.624	14340.724	10490.735	16186.29785	30221.28346	12915.46171	14767.032	56407.50425	NA	21731.65313	8252.626714	39495.15762	16283.85373	17112.39536	64951.765	56942.251	16479.26457	10282.5972	18863.63907	16834.9655	16194.8062	17606.54769	12420.72071	11480.22954	9198.410625	15480.8615	NA	21796.23543	30254.10375	15815.78423	11322.34892	45484.47846	18824.39524	8853.642286	14338.013	15460.14808	8851.564875	12476.59787	NA	12910.395	17081.55843	4657.01725	NA	90988.47315	10934.66657	41822.40454	NA	14587.98714	7449.578	18361.46914	20696.891	44420.88208	12140.65813	26818.04643	NA	28493.02	18942.27048	89923.82554	11346.96671	20223.09739	10253.49467	9086.805643	15262.29771	8129.985714	NA	11050.44075	87202.09385	180538.6634	NA	NA	NA	13427.95107	19343.79579	14111.3505	31716.96231	5629.998571	78558.986	33484.01271	31900.96775	53467.34838	45490.96	36084.09107	69128.38869	13967.593	13271.16769	8169.627857	13356.71229	31396.358	19868.91325	25520.30182	30757.75257	27255.70154	9107.215714	NA	39927.64386	28763.512	57870.32012	22635.80871	43162.48387	48852.72	NA	29798.903	10742.4175	24450.54013	31142.748	12131.34343	NA	10553.15375	NA	19060.12686	5372.4684	7179.147846	23397.588	19680.21125	28479.514	39664.0451	6844.41	37743.96143	27351.67314	6894.4316	44022.10313	33651.32675	57016.30308	NA	14207.83	13567.4325	82650.58425	NA	6826.2222	14238.42019	9461.450625	37514.568	21035.43704	41870.12062	20271.64609	25685.70818	49936.74183	27010.9015	17351.529	14136.15687	5583.792143	16025.86857	14186.1345	15141.25671	13017.52971	7520.5152	100738.248	14394.87543	10184.51	20510.33571	NA	NA	22440.80086	17746.03083	4755.392	NA	14838.399	4220.1745	11335.29525	NA	72569.90964	7849.8	45319.33275	33086.47525	NA	NA	25712.27182	22419.528	15261.9275	NA	11513.7555	4733.3764	7251.452	NA	8654.25	38422.16914	45466.2795	32007.59086	74274.4756	NA	7685.210571	NA	18993.985	6072.57	6718.857429	16603.114	10950.212	NA	NA	NA	20523.89986	8310.762	77191.48893	36745.23886	14267.33385	21133.02471	11218.99737	6745.304625	NA	12025.39523	7996.547077	28044.11038	15635.81643	NA	9425.087	9929.687	10176.39785	NA	NA	10794.357	NA	NA
C355	LysoPE 14:0*	425.2542	C19H40NO7P	Lipids	LPE	-	1	15316.576	8245.654857	8866.22	17184.504	5725.354286	13216.245	6141.44375	9735.27	8152.835	8019.418	20134.67314	8553.986571	9427.86	7836.512571	14958.49229	11475.28	17566.27	23893.145	24981.328	14164.56	9838.025286	13404.87186	11309.4792	12161.82029	8661.79325	9343.774125	5334.97575	7701.449143	7996.215	11555.31829	25317.05	14038.14171	9752.724375	10874.258	6810.168571	9578.172571	9565.822857	10498.47886	7837.685	11901.93329	8537.481714	8234.01	19934.85943	16464.96257	13931.46771	3813.826286	10921.38	9260.635	6636.7245	3882.075	10262.96914	12674.36343	17006.4765	11278.03457	31013.15771	11509.01257	15124.08	11432.07314	8856.72375	13091.274	13917.592	19508.68071	10319.79138	11506.32214	8780.23125	15315.63771	13245.4075	9098.556571	10012.46455	7389.938286	17615.182	19622.385	12855.14443	9878.132	9564.36975	9614.945571	20900.25829	8450.876857	12425.214	9875.829857	23997.32571	7876.16	15743.00571	12705.23886	8724.691429	18657.81143	7265.302571	6563.777143	20799.77986	8867.211571	10033.67829	14772.37029	15631.90714	22689.35371	19551.734	16868.50057	12441.66857	23765.4	19269.93829	12567.71786	12285.90686	9249.670625	18518.66286	13718.43643	20524.06171	10746.9396	8867.546286	9338.945	23358.61767	26971.96114	13350.912	8782.2345	9343.207429	4864.543286	14877.945	8061.3984	13453.085	10110.63143	22566.54075	13194.23637	13273.61529	10671.36343	14027.68229	5859.88	14006.985	17411.93143	NA	18593.85	8460.918	28024.876	4837.193714	5129.5185	9094.44375	17249.21	14850.578	13611.615	10339.86286	7293.504429	14847.04886	12695.96125	7732.902286	10228.26457	15495.366	8398.254857	10870.435	21333.98714	9658.404571	20254.85	13549.68157	9720.098143	9798.91575	16791.56114	26350.816	5975.424	5368.870857	11430.19657	15782.904	6765.886286	4283.089167	6431.045429	7364.005	19942.44038	15273.315	29220.75812	9097.171286	24562.44343	20731.14	4753.746	6810.105	17796.775	22246.882	9577.695	5203.428	12108.445	9895.71	16143.82457	20493.345	8964.165143	14086.25	13614.60629	11313.29175	21766.70914	NA	14625.51657	8780.128125	12284.97486	17180.01143	8622.20875	13607.01943	9601.575714	22619.25371	17945.60625	9175.800625	18110.84786	11041.74629	12343.55475	10263.28286	11119.624	8807.113571	15390.96773	8864.923429	13870.3695	6379.404571	13956.5695	11208.08325	9549.54675	15704.088	13139.75314	10495.00414	12127.37271	7203.565	10107.55114	15826.15364	7319.591	5848.029
C355	LysoPE 14:0(2n isomer)*	425.2542	C19H40NO7P	Lipids	LPE	-	1	17542.71675	10529.03475	10798.09188	16804.41525	8565	14102.10562	7223.664375	10921.0315	9920.551875	10370.16825	25837.89	7560.271875	10497.02	10662.8675	13598.2	16078.38	17438.235	27180.255	28662.80325	14373.5085	11903.74	15347.7345	12409.728	13797.45586	9919.18125	9189.1555	5346.727833	8928.59	8640.372	11607.75	29277.58275	12869.0155	10461.54	11173.73829	7023.1395	10462.32338	13055.30743	14037.73088	9064.01	12307.7535	7968.465	8038.718375	22634.84563	18096.9135	16115.319	6556.736	11700.3495	7291.714375	6541.239	7145.357	15121.67975	18016.5375	18081.79425	12619.86425	35653.31363	14981.2115	15052.63175	11742.432	10175.09743	14519.53125	15062.30057	20149.00475	9748.3795	12685.55937	8709.41175	14440.65675	13672.58825	9879.386125	9946.283125	6887.89725	18947.07188	17949.38925	13688.60062	11204.424	12080.06475	9618.115	25961.03575	12700.152	14382.22987	10732.371	25815.62912	8369.974375	16323.41425	13914.76	11211.17123	20240.9415	9248.274286	6589.297	28040.688	8979.191375	10544.19975	14915.24363	18165.56375	24719.24786	17166.062	19089.80225	10875.942	26707.78286	21204.80375	14820.23675	14188.71825	9703.481125	21260.78857	14199.1905	23477.298	7696.5135	11178.03686	12554.83125	24877.5	28510.74971	12443.4375	9507.649143	8999.375	6294.276625	11720.715	9518.340125	17878.458	10973.963	28198.482	14118.4525	13157.20457	11851.67625	16161.98075	6819.80325	14168.29937	17607.5375	3412.725429	18057.04213	7564.608	29872.54875	6939.686125	6765.138143	8391.724571	16514.169	16444.5225	12888.681	10433.94975	8432.248	15584.84563	13628.3475	5808.7965	10852.70288	18231.50938	8606.2335	11905.20937	22656.23225	8743.1925	14765.7125	14541.972	11944.18938	11046.43771	19156.69925	31186.74057	6618.745375	6173.937	12465.141	13790.92343	6482.259375	4013.52975	5902.605	7485.042583	21927.88813	13025.81475	30486.95	9043.9575	32244.4005	21860.0655	5537.36625	8517.981125	18664.35312	27490.28	9920.9175	5448.848417	10190.45625	10460.94075	13093.74763	20939.35525	8725.731	15576.51333	14834.05	11633.63125	19954.52637	4122.925	16846.66425	8639.23	15654.054	17070.7875	9312.515	12903.17711	9672.7365	25059.63333	17135.912	8037.855	19947.488	12994.74225	13635.333	13463.625	13623.28225	9463.532714	15790.32225	7756.536667	13082.545	6550.2645	13146.104	12264.45	9349.784875	17912.12789	10610.6075	11203.74	16507.55167	9426.228	12348.91687	16462.38562	8505.896875	8905.620625
C357	LysoPE 15:0	439.2699	C20H42NO7P	Lipids	LPE	-	1	22172.95758	11998.81667	18036.935	NA	7134.040167	20170.448	10957.40164	10999.60446	15412.73782	11824.28313	24409.455	9441.215143	24865.92269	15916.362	21865.158	12782.5805	20082.36	22337.37275	22558.05455	19468.27143	8912.678364	23591.17747	23832.246	18688.83923	12141.03308	12885.17125	12729.60425	11810.163	13158.7	7116.63	31620.1288	23540.13129	12814.26171	15938.91192	NA	10919.70313	8552.866667	17785.58283	10995.77954	11252.45	10937.569	10684.7178	15478.63727	10543.3205	12758.69125	6551.1	NA	13340.58	9749.685692	10953.99107	12304.45292	10481.11667	23904.41	11648.7465	32442.12167	14132.12985	17420.35179	11389.541	12100.0995	12582.35125	19713.01787	28451.05867	10501.7805	13443.646	13993.316	21101.89886	13975.915	9160.359167	14737.14025	16050.57328	41423.73708	18157.42775	32936.57857	8520.575	18147.19247	NA	25552.26573	10357.55583	11138.20875	NA	18885.96	21568.45371	25099.73365	17286.7572	9852.757714	23359.674	12967.896	NA	26954.80731	11099.361	24120.91075	17763.26494	19109.03077	42909.57	49398.45973	14887.35667	10503.88567	26706.43125	19302.429	16468.73631	NA	17302.19118	36134.84612	10434.336	26966.304	14928.27323	9061.739417	14011.37719	33010.48688	25228.083	16187.80677	9874.844571	11687.95192	9056.507571	23311.24586	13893.77294	21446.2965	14165.33427	30852.32113	23305.66457	20357.86	NA	21062.25257	NA	19365.983	NA	4414.8	17267.05754	14464.85333	32848.12	8107.297647	12121.33592	19565.65143	22128.26344	19263.22588	16400.92892	7877.562	19411.6256	22011.81459	27814.35086	7781.19	8386.842	NA	11781.73708	11157.38443	24689.71462	11509.32475	18632.69767	28614.97375	15162.81765	17627.01494	19256.83638	31111.32871	NA	8638.966143	18665.16215	25870.34154	10466.38333	5377.309923	8333.1	15372.41723	12462.8315	20805.74507	34442.98044	14596.54643	NA	36037.95176	NA	NA	17870.166	33102.28714	13633.31365	6233.1375	13409.39314	19403.574	15493.11892	14880.18338	NA	NA	NA	14974.49314	26062.36182	NA	20299.17115	11219.33354	15737.47071	24418.688	7975.68	NA	19398.9075	33491.32682	29341.872	7280.997333	25333.25227	12424.884	27635.52233	16115.37	NA	9466.693714	21402.423	14712.249	12948.552	8546.625231	19105.59762	10988.986	NA	18487.935	18381.80575	14373.53273	16509.61185	NA	12636.98875	12573.71842	NA	5139.82875
C358	LysoPE 15:0(2n isomer)	439.2699	C20H42NO7P	Lipids	LPE	-	1	24959.23015	9160.50325	17314.98827	14646.73	NA	17641.01677	6652.224727	12372.37662	15144.20736	9851.881727	26576.53775	9768.136636	12840.5024	14459.29727	23651.07333	14379.85073	20505.498	18372.59971	17749.8	17970.85886	11256.30417	23835.614	21067.87142	15316.76509	11977.94592	11062.60008	9180.237	12532.50277	15398.991	7618.221818	28395.70462	NA	NA	NA	NA	10414.19636	NA	22605.47758	11134.10523	10872.53564	NA	9971.436	17816.179	10724.26691	NA	NA	7342.9745	10288.85983	NA	9464.58975	10416	10087.623	NA	17528.054	29250.069	13846.94758	15417.80917	13516.802	NA	NA	NA	28291.81767	10328.21717	13498.59867	13529.07636	19057.748	15445.552	9954.232273	8935.29	NA	NA	18587.184	NA	NA	18156.955	NA	29947.97273	11480.33833	9955.508143	NA	26595.8319	NA	NA	14761.4545	NA	18098.09667	NA	NA	25052.33538	13445.65536	25800.66455	17353.43077	19388.28846	39955.66	47245.88143	14756.44333	11306.48	NA	18284.178	19091.39	NA	NA	NA	12097.19391	21900.539	10447.872	11903.04033	NA	15546.81	24322.52	14451.18082	11408.933	NA	NA	NA	NA	NA	14598.675	34385.412	NA	NA	NA	NA	NA	16628.68333	NA	NA	16886.67508	NA	29500.23077	NA	11335.359	16719.34688	24075.4048	NA	17845.45467	NA	NA	NA	NA	NA	7453.478909	17107.91775	13618.68913	NA	23804.99833	12561.68491	21016.37673	27455.92664	NA	15365.178	18905.74638	NA	11308.20364	NA	21142.5086	23669.657	NA	NA	NA	15590.44938	13449.38133	NA	NA	NA	NA	NA	NA	NA	NA	30730.05	10090.55891	NA	NA	22520.495	13325.48245	13184.725	NA	NA	NA	NA	NA	NA	21607.43	NA	16385.06042	NA	8390.365364	13846.94758	15742.71673	NA	25581.11485	6128.181286	23873.04838	NA	16880.1696	17904.10475	NA	NA	NA	12671.405	11918.83091	8467.2745	13864.032	NA	16052.87077	17745.925	15627.74675	14412.013	NA	9218.5095	10177.14983	13036.27118	10212.642	6344.441667
C359	LysoPE 15:1	437.2542	C20H40NO7P	Lipids	LPE	-	2	14949.0302	6969.222	5327.4936	10508.817	6677.816667	10075.02171	5758.311429	6981.443	11258.076	12903.45833	19172.712	NA	11681.7904	11552.16	17167.4664	7527.9568	13353.167	23890.6724	32722.104	14083.92193	11000.50671	10910.317	9410.256667	10944.7455	12716.632	10665.91414	NA	11228.17654	12214.4175	5306.371667	17778.55087	9286.3316	7078.041429	10289.10171	12131.9354	9085.209	NA	15810.9108	NA	7540.1608	8836.87475	8956.084	17601.34316	10282.284	11481.76857	4689.688667	8148.8092	9698.020625	14550.14507	5821.8272	9981.230714	13986.51314	17280.90886	14557.59857	40421.99657	NA	12718.054	6339.895714	7618.8168	11713.36133	15620.853	16993.38492	15406.41143	9227.998857	6186.0422	14819.16986	10451.51443	6342.730875	14695.09157	NA	30132.882	12886.56086	14974.57029	5049.492	13199.97169	9284.971429	27247.87929	9642.256	12066.50631	NA	22996.302	12222.19933	19233.22371	19906.1145	9949.996	21976.685	5987.978	5219.28	24205.77543	NA	28835.4885	8555.2668	19109.05886	17661.4375	23934.53714	19443.717	5898.223571	17459.125	23741.102	17075.999	NA	7804.8964	32022.92914	13871.5395	24351.44814	14378.08829	8311.1028	7043.070857	20395.65	11235.98457	10956.088	15975.2704	9081.553	NA	8716.261	10245.02083	14300.36357	6398.04	19472.99886	19665.92	19309.069	5659.792571	10508.29562	10634.72917	10524.107	NA	5196.396857	15390.0854	11110.93971	27024.096	NA	10703.15871	14108.923	11382.46857	23269.65075	12951.025	NA	NA	10051.02708	17825.20533	NA	11937.08857	25854.02217	6389.02875	NA	19579.87029	10074.54643	26534.94829	35006.88681	15163.20629	7281.9058	13503.79417	20487.68686	7147.393	10025.4	8475.9228	10406.96686	8769.843143	5647.551	7872.369538	NA	11946.7936	8656.293375	28827.01429	4477.4928	25320.132	19862.37143	NA	5422.820714	NA	24367.89914	7427.101333	5152.698	13227.83388	14897.71843	11679.3788	22117.27525	NA	8076.0654	10402.54	16936.65138	19226.93771	NA	18541.76875	6892.212	15877.51657	16683.39914	7547.168143	12899.67543	18154.665	15311.7825	12075.08571	8234.619429	19717.481	NA	13969.01017	10050.2704	11997.31243	16838.54612	13893.722	14770.64729	12539.43138	12399.543	14184.32923	10293.11343	12452.99093	14927.08057	11945.00957	21813.25412	10248.74057	8476.258667	13637.62562	NA	7629.097846	6176.589462
C360	LysoPE 16:0	453.2855	C21H44NO7P	Lipids	LPE	53862-35-4	1	1673754.918	745760.9802	1159686.062	656629.5044	492215.8559	975746.6045	593430.0531	812573.056	1382933.776	1045829.614	2267675.186	840564.0442	1283072.756	1013075.576	1146043.632	1251294.141	1573250.631	1936381.304	1810039.767	1218510.483	954229.1003	2552952.636	1174689.971	1612253.378	947095.9876	863895.534	658859.53	688501.9459	735204.7094	612474.7874	1796166.623	1312323.575	1235013.383	884770.95	554192.5274	1009768.227	1401369.39	1284907.155	817450.5369	1098059.329	905428.0714	720146.1691	1482740.098	991715.6789	1170359.844	480725.4176	958249.7286	950028.7131	690891.41	715046.0314	1035858.872	1089608.721	1629666.398	1280259.376	2104480.903	1347450.163	1561528.414	838855.1249	1018038.934	1038915.673	1136660.578	1691698.461	871557.4119	1154732.469	764247.2036	1398566.149	1386079.812	735083.0713	982084.5467	720147.9031	1625326.428	1416302.838	1446419.087	906199.1476	583385.2894	610633.5451	2123119.535	1019740.694	691857.115	796216.5214	1897427.954	923466.8142	1084849.566	1018224.314	790093.5171	1914575.37	868036.2966	680482.4155	1500928.618	771477.3015	1690521.011	1193160.234	1357429.197	1952753.511	1959171.624	937682.9335	687055.635	1493098.592	1837753.665	1153142.749	894005.845	809676.302	1834553.008	941684.4123	1380355.302	1041883.207	744840.0401	875180.922	2387205.671	1683084.671	1117552.731	756699.6323	744430.4957	461094.3792	1104907.474	994719.0727	1300615.697	1198440.823	1748611.491	1380782.355	1440017.786	765700.8336	1116737.45	692012.904	1024493.743	933238.5106	439025.8125	1484959.923	773931.4211	994438.284	690687.9696	759919.8403	808897.9639	1049643.507	1289715.919	1422559.109	871870.272	1070209.379	1040953.4	1137082.918	534621.6806	790564.8918	1291919.009	784726.5478	776911.3051	2307254.475	838468.6258	1550991.335	1472963.163	1035678.851	1003418.186	1208204.699	2239172.734	926285.1748	625179.792	1046490.539	1306814.55	774553.626	452780.0317	706892.7924	770242.7788	1133014.157	1349496.94	2208435.896	1099488.222	2097713.969	1828319.712	492843.6391	910842.5557	1120317.038	2162548.007	976129.0329	416558.1834	977998.6999	867318.6956	1333272.337	1184593.362	1504189.923	539829.9876	1026411.926	992560.8007	1099187.528	366564.1072	1460391.097	705212.6983	1416628.77	1136506.764	747611.0098	1400781.292	1192879.25	1797282.936	1505237.512	727872.66	1501271.407	993342.8113	1850383.205	1090942.984	1400766.414	814802.7169	988667.446	1011169.112	1028550.606	603196.5677	1065321.844	803688.5186	1097935.925	1677351.873	1265800.719	970090.914	1044955.117	613961.3058	781064.0123	1165636.6	686966.0245	751631.166
C361	LysoPE 16:0(2n isomer)	453.2855	C21H44NO7P	Lipids	LPE	-	3	208042.549	91707.5028	139658.896	64101.169	76674.62133	84923.6736	68678.408	89217.54267	208136.5	140036.32	271243.3945	116878.2384	268408.96	113396.2984	167692.6232	155809.9855	221924.382	295677.51	243407.164	204248.88	167505.425	315604.9512	150683.0818	226683.0767	102385.734	156319.2613	86346.4992	103330.7767	109851.108	89492.18683	295290.9678	217697.788	232002.7497	167353.8	76114.6128	197586.392	185012.101	194681.6062	123833.12	204853.8773	145443.753	105658.64	82249.6	175540.5222	165543.7533	65227.4392	119430.0407	114296.2845	115052.0904	104182.64	127274.598	161287.238	248064.1992	179121.531	394948.9833	172702.5333	272927.5597	122918.7137	178377.2787	194965.0587	146095.5427	244686.8412	162117.2493	187811.221	120835.4925	222018.285	261224.811	128287.0053	161799.1635	102742.9303	295800.883	250841.5658	217003.0698	130111.664	115004.768	111622.5152	295529.1014	132263.6976	128490.5693	117000.5616	335790.4914	148902.528	164267.244	188291.4627	104624.108	276587.997	178751.804	148980.87	320055.5635	161778.255	264427.6833	220709.4675	265789.6875	343486.658	217862.398	190217.9867	136990.11	331233.6475	266978.1136	236359.5922	207647.903	181610.286	420762.6	201832.114	304726.2097	144432.528	130908.1634	181476.66	470025.18	291361.35	219908.816	179269.117	145494.3533	98097.48	183850.2132	185302.7258	248450.4772	174218.4383	363748.825	280751.6398	244043.788	143658.7533	247696.13	149638.9657	199283.447	170013.615	112143.871	330583.8545	140814.2688	286744.372	129801.08	160283.973	117044.34	235507.28	231473.966	249268.1273	167135.384	189768.1342	220747.5747	231216.9275	107902.16	163686.76	293590.34	146095.5427	134756.2524	503637.44	137209.534	318826.66	304266.688	189195.32	205348.136	226340.8507	508765.48	158780.765	123026.8867	198498.81	187084.83	173033.0723	111926.4983	99430.0875	160272.502	246642.9635	271516.35	450865.1458	223194.2793	386539.8187	350876.173	102524.019	179959.0022	268782.4817	403223.04	188956.4213	92601.23983	210713.594	216495.1403	288476.9442	273406.1517	337360.672	182593.6	169488.8325	217101.94	198786.15	82565.51333	313761.405	157187.1	298698.9675	319136.1776	179569.8835	291821.34	242084.8755	308467.275	307648.14	122044.4865	285489.8025	200693.748	256800.1792	150065.7862	263716.6867	144238.3627	209763.27	164497.35	192787.2333	103340.4667	215426.9987	151313.7373	179887.605	290670.7053	217877.712	179480.8427	150034.14	131187.496	114379.183	142087.738	107037.424	124788.2173
C362	LysoPE 16:1*	451.2699	C21H42NO7P	Lipids	LPE	-	1	16092.34409	7367.3556	NA	7344.6525	NA	NA	NA	14141.92	15108.69333	NA	NA	NA	11389.4395	NA	28092.05367	17573.868	12234.56143	31159.84667	39568.0545	6890.22	NA	8068.0725	NA	11799.375	6872.9925	5141.6684	NA	NA	NA	NA	NA	10536.932	8593.888	9997.855059	11611.09875	11945.97862	NA	NA	NA	6341.55	NA	NA	9124.35	13796.557	NA	5339.097917	34649.476	NA	NA	NA	NA	14233.2525	10181.451	20062.02	45338.394	NA	14515.15	NA	NA	19025.56059	28766.92246	NA	NA	NA	NA	12849.38412	8165.147667	NA	16796.28794	NA	122592.3937	NA	12429.76364	NA	9809.503	18491.41093	23512.99985	NA	14931.55029	70823.5	24961.40667	30574.83393	21740.09667	33435.72554	18303.13309	NA	14583.611	NA	25672.24053	16623.73333	NA	8977.137	11789.08067	24908.93225	NA	12582.79091	NA	29911.803	41656.8654	57040.84821	25903.79312	57160.456	50601.672	12523.27808	54572.53422	NA	13685.49	20556.3042	24033.39	NA	19792.64808	NA	20299.94587	NA	NA	19005.1948	13627.016	13599.432	40303.36059	10048.224	71880.33431	25839.28543	9927.84	14588.5	30326.56338	50583.50786	NA	12932.1465	6070.625	45749.7064	9635.318	16159	NA	NA	37204.42027	17535.24053	22539.78738	13338.0745	20226.69285	NA	23142.9504	24233.98115	44067.295	NA	22032.045	24867.51183	16822.59187	22884.43015	19760.32436	85172.40825	33583.40236	NA	32830.74421	13012.86529	NA	NA	19129.84443	7702.139	8387.551538	10556.7271	NA	NA	NA	81144.1605	NA	45407.38286	63908.3788	NA	NA	19349.59114	39567.53187	19953.19946	5882.954615	13208.184	7191.527	6516.5202	27487.621	NA	66668.66443	74586.52786	67163.26293	47647.881	NA	17520.61371	13623.05875	28594.66944	18604.65	19141.72573	18166.21533	22027.3545	10634.08356	22106.64214	NA	NA	13242.684	51059.092	32501.52619	17438.88057	NA	NA	13265.90753	NA	12698.79188	5619.21	10221.943	NA	8895.6138	19748.703	NA	NA	NA	NA	NA	NA	NA
C362	LysoPE 16:1(2n isomer)*	451.2699	C21H42NO7P	Lipids	LPE	-	1	18561.33067	6712.1746	8214.054545	14190.5132	6627.966545	8452.9275	6236.574308	NA	15674.61086	12122.51825	22501.78933	NA	10901.673	3702.082	31011.552	6783.915	8676.866	26669.1825	39044.74538	9429.9546	11144.08327	9302.8672	7352.4348	4663.104	14176.65488	8654.827	NA	3811.416	13074.18545	NA	7861.581	24317.52292	11805.49385	10880.0365	8025.6636	11210.917	3088.782	6816.9	4146.625	10427.66083	NA	3610.035	7197.6135	9866.064	8331.4225	NA	31092.39467	7402.399143	14969.89691	4631.009	NA	16011.7734	27842.42462	14805.91143	48271.996	NA	35272.68346	NA	11993.38667	20731.491	27050.52318	16524.534	14065.06667	7849.8015	NA	13115.8995	5721.64	NA	NA	69243.1445	114420.4842	11980.51624	11422.65577	3665.642	11934.54554	NA	NA	21136.57636	12692.56154	31308.58667	34311.09	33884.476	31178.31633	30475.45343	11174.70825	55600.82743	NA	12023.4135	19004.78286	15078.77333	13442.18333	20379.02353	17992.2864	13692.5724	5556.3684	11067.8524	11326.63607	22242.328	22060.7416	51158.99467	24217.28746	61937.42769	53283.72	NA	27980.7968	NA	14839.8624	36750.13554	42743.51812	19443.00222	17862.41808	NA	19895.49414	7333.1244	NA	33065.5552	26225.99438	13318.0886	14954.555	19874.07843	74149.614	12419.73	16509.21262	31408.19169	27585.16369	49659.4418	NA	15401.0988	5663.68	71733.15692	8090.32475	13593.54982	11452.73128	13849.3408	13999.62375	14398.20487	25798.40427	5275.684	10148.4132	18578.84106	22867.152	22989.30523	19814.48533	NA	21050.3475	41778.76418	17286.29862	15140.7825	23138.00389	58061.4804	35372.36207	15171.10778	31590.50783	NA	NA	21622.87425	21603.24476	NA	NA	7468.848	NA	16630.97511	NA	52300.095	NA	64089.431	70294.20286	5668.0152	NA	32131.80565	41312.94765	19749.549	NA	17530.50923	NA	8319.2655	13453.3924	5086.31625	68953.072	72894.06708	70162.20373	86487.07769	9217.852769	9224.04975	NA	18759.00467	10070.6565	15939.63969	8736.7152	9929.115	19133.45575	25892.34383	18027.67092	19628.24214	10005.7265	49787.4755	27308.18314	16149.04	4967.424	17041.06994	7610.869333	8576.8568	12961.26153	NA	12915.5664	4953.07125	17178.29831	18731.977	NA	11828.44157	NA	11343.7856	6370.4618	NA	5682.0864
C364	LysoPE 17:0	467.3012	C22H46NO7P	Lipids	LPE	-	2	58294.87714	39077.38771	78374.44615	NA	14656.551	63723.51	28852.86214	31455.61854	47041.20179	NA	69987.30453	29758.09	106767.1	41632.74686	73283.42538	NA	34652.3188	37512.87	NA	54672.86621	29280.43971	128868.5067	46470.333	46724.70257	24221.13715	33209.98687	39000.26743	38218.37538	50338.43692	NA	99970.47879	59355.27346	101534.4665	41259.9465	23158.43679	30331.65107	71512.34914	40189.88914	35395.5875	24294.53729	NA	27083.44007	43264.91013	26614.684	NA	NA	28826.409	36050.04013	16270.93207	35852.24457	NA	NA	80665.35992	NA	59986.9956	NA	66465.02893	NA	NA	NA	49953.53314	NA	NA	41395.7304	44240.22857	43611.36686	48116.502	33989.77357	27504.77857	27520.52914	58736.08436	56478.00973	93849.94708	29684.72373	62048.47846	21032.00629	NA	38569.80571	NA	46749.346	NA	53535.28114	65719.31585	36537.39971	NA	72215.23286	42593.944	35408.02846	46981.864	29672.2922	53485.00356	41905.116	38795.86219	139226.0477	137119.8263	28232.81467	29878.03829	50484.0245	NA	NA	103573.6283	31575.02071	93096.12957	20869.51286	35417.362	NA	NA	34894.07643	120248.7277	62814.30557	33447.6664	21688.3705	31432.42892	20941.055	54308.85646	28981.267	64398.09115	59444.181	123367.6154	73786.44614	NA	43081.92323	46866.4625	28459.90029	56076.30514	40097.23085	NA	NA	45897.144	78799.37231	28451.6375	26766.58215	72215.60585	67587.87621	50126.76862	NA	42248.23892	79884.17038	65428.31362	123384.6434	NA	NA	44836.12562	39834.351	26904.03329	66940.50714	NA	NA	81708.02954	NA	36307.13186	36521.52533	94607.40714	NA	29241.41143	45158.608	54197.27507	43689.54785	17512.929	NA	37772.69429	NA	NA	58294.626	NA	54131.98	83307.306	NA	44759.51229	38679.34214	66721.35	35680.7972	17622.59929	30967.719	67104.037	NA	NA	104885.0366	NA	22141.30773	NA	33983.649	NA	70696.4436	30754.21221	38606.1354	43730.68036	NA	NA	56288.30929	66116.91714	92552.3588	NA	54009.37543	NA	55197.656	38881.83464	81646.01607	25271.50147	36765.44571	28299.64512	NA	22855.2784	55784.07686	NA	56263.92514	63695.25371	NA	NA	53265.46657	NA	24514.42273	NA	41392.37714	NA
C365	LysoPE 18:0	481.3168	C23H48NO7P	Lipids	LPE	69747-55-3	3	87568.78527	75247.76182	138716.196	54104.88218	31552.54864	96984.475	72541.31182	66284.70155	154534.8785	116561.8275	205699.1496	133213.2542	129298.617	104714	76573.61	131230.088	133952.2856	153911.2495	129592.5091	133065.8602	75070.67455	278728.8818	156471.8973	133512.5485	69310.296	87824.148	65767.23082	85329.53782	79465.77364	77756.004	181634.76	120244.8976	195644.825	113073.874	40816.78364	87085.11655	141204.8913	111963.166	101746.1813	64770.923	93157.13091	81983.03164	142089.8723	102900.8302	120150.7805	50019.80455	66875.90582	136901.916	58774.61236	100674.1782	135452.6775	81130.66527	150278.9142	124069.7788	155927.2625	135772.1642	209908.7723	103761.6067	103884.1936	81349.34564	73128.26455	171554.4458	77985.51873	177983.3152	68882.606	129325.002	150018.8774	73018.87467	60360.80473	57939.519	119472.5445	143532.204	194620.5375	92861.31218	70846.44682	45593.99345	129182.56	91986.82133	36868.54364	57793.33636	95734.86364	70728.081	71253.408	74683.30845	56530.00733	127989.371	63186.55418	47141.16318	82256.365	63626.85036	123104.5484	69418.27636	81565.11245	144439.9953	109232.0558	59406.19236	48181.03855	81666.46727	115694.696	96165.97709	104112.0513	55454.94182	132817.7287	63601.17491	77699.84073	85379.50667	58141.23791	60504.72164	97367.14455	112297.3091	67439.67936	52010.57727	48957.67873	40783.86	84105.63382	65625.60875	76004.34036	82800.38564	139033.8587	114023.1636	96177.15545	68415.09764	68942.26418	46140.50636	74948.72836	67677.675	41467.4	80514.44375	49870.69309	84161.50436	70335.51567	59561.51236	55823.24682	62014.92473	67692.75545	97269.14925	49528.92727	71938.79727	75237.93727	85510.17683	29576.525	63263.18125	64414.021	46403.81527	55092.48582	145558.3468	50381.168	82479.00818	87758.39782	74524.675	54025.311	84545.20091	170978.2442	87165.14182	68795.38145	79744.29733	87724.18327	80725.724	44818.22	50530.536	53253.47273	84683.02818	115294.0605	107653.4403	86383.59727	132446.7845	116265.9827	42468.01767	85894.26518	57918.51	131195.9525	76966.55018	36942.57273	59511.65273	71017.10909	146217.9113	63634.68375	166283.9911	56628.475	59850.57736	75651.44545	83218.876	40356.46708	199611.5775	66365.80364	91122.37933	75527.84558	86351.95282	77010.10133	120950.6591	122501.2778	157332.5093	52686.2875	91398.75545	66149.43867	130389.21	72307.09864	84030.75133	55289.62882	72734.359	76533.88725	103447.912	40224.4645	92527.538	70935.59536	128360.0665	139501.6665	109888.6113	58382.19	96000.31667	65847.296	66952.60983	84843.398	64604.07825	79971.66545
C366	LysoPE 18:0(2n isomer)	481.3168	C23H48NO7P	Lipids	LPE	-	3	1857.947	890.1066667	1389.334286	1951.775667	NA	NA	NA	2431.56	NA	3895.948	15500.69333	3820.092	4004.231	970.41	10894.94571	8078.854286	NA	10654.43429	3392.663143	2993.976	NA	2775.170667	3123.2575	1207.313333	7890.496429	3566.856	NA	NA	3121.056714	NA	4391.515556	6097.368789	2263.186286	NA	1702.386333	3411.764	NA	NA	2280.794667	NA	6266.7585	NA	16362.38825	20089.23462	NA	NA	6134.153143	NA	1664.91225	NA	NA	NA	3904.08975	NA	NA	NA	10960.71925	NA	3903.328125	9583.774286	3051.85075	3402.596333	NA	NA	5040.399	NA	NA	NA	NA	45398.1945	17474.184	NA	1293.491111	NA	NA	14162.89688	9910.0305	3474.350857	NA	6731.678571	28380.984	6604.3275	NA	NA	3597.997	25344.498	4024.86	3474.40275	3039.12675	12614.56875	6228.328125	3035.855429	NA	1812.405	NA	NA	NA	9087.275077	23746.151	17389.879	13942.6315	14787.65062	24622.81565	NA	9605.74025	1291.928	8327.43425	12654.67413	NA	NA	2345.419714	NA	13245.96578	5521.371429	NA	19783.09378	2877.021429	16680.23875	7397.268889	5916.251739	20887.28077	4808.30625	3080.442857	13397.66184	NA	18609.97675	7871.578	10140.1	NA	19350.28375	NA	2536.557714	NA	NA	NA	NA	8189.3355	7041.425143	NA	4368.98	NA	7858.123714	5976.904615	NA	3866.981667	6451.2	3761.057333	NA	NA	105854.3035	6963.710667	NA	3521.91925	NA	NA	10327.668	1811.32875	NA	4889.128818	NA	NA	3368.04	NA	17056.01486	NA	30049.234	38762.52438	NA	3252.35925	17573.06177	8317.6765	7265.066217	NA	3207.904429	NA	NA	11554.60629	7127.854636	35335.44771	23060.58592	52695.36	24939.05077	NA	NA	9152.9568	6349.329643	4326.336	9013.065684	9574.535385	11913.81031	NA	NA	NA	NA	3805.322143	61160.25779	28953.654	NA	NA	2606.004813	NA	6696.186	NA	NA	4763.873143	NA	NA	NA	NA	5539.764	6931.549125	NA	2188.690857	NA	3928.60375
C367	LysoPE 18:1(2n isomer)*	479.3012	C23H46NO7P	Lipids	LPE	-	3	61605.9464	32002.0172	43968.5548	82873.1655	39388.4856	22357.863	18846.296	100260.6444	49331.776	133294.5504	457881.6162	134367.06	151355.7082	38662.701	457633.688	278207.0512	94341.177	419636.49	129153.563	107886.6542	38613.6075	107166.504	114657.6018	52930.6492	285656.25	168903.488	22971.722	39451.85133	123858.0224	41052.81133	112387.8145	101496.6932	79252.32467	113066.4298	64233.1924	55972.592	43130.33333	58088.16	92506.9464	75394.4565	221684.1363	12744.19417	540190.4013	521413.963	37575.0775	29937.3085	233617.8594	31995.7365	49401.327	47438.2296	36829.3432	92025.92457	138667.7097	93886.1868	110351.5733	87849.3876	371317.9015	24068.35167	125155.567	219819.6755	100716.298	121190.289	79816.6915	46468.776	186197.0175	57237.89333	33934.51314	57961.33333	48868.48	1538208.08	573645.093	53515.12571	52046.33117	34420.34667	28320.567	245133.141	349951.222	139947.4867	62516.25	237559.5943	1112511.696	240370.0212	83162.23333	121084.8403	105070.4633	865066.626	146398.7183	122380.752	88733.4025	473619.4213	203080.6657	115489.081	76257.621	66869.55733	41325.6264	55710.16	36738.97714	230179.2268	736977.9888	579218.8738	407503.7788	502178.31	457589.7891	46674.75729	312733.4155	51418.63717	308991.7865	443492.549	95262.95025	51319.38171	91053.144	53494.44914	554793.6109	176282.4714	63213.0135	614468.5623	89136.75	538675.0178	251758.3667	104211.8587	548890.716	151855.5	103003.4355	263394.5636	140424.068	735843.9573	152458.9303	326473.1889	41478.53333	728188.6443	98322.88914	77415.30638	34286.55333	105054.0771	109663.8171	83986.21886	313361.0203	219610.5771	72218.21787	111972.412	178545.5229	223844.856	239420.888	37842.2165	135665.28	252659.5605	97635.75033	209722.819	130828.6825	3492959.879	247175.181	95075.10857	84069.183	121907.0404	29206.814	331461.553	49219.352	70642.242	116206.5336	72396.84	44663.68775	143602.712	61116.85371	592257.879	118387.575	1075502.529	1268039.457	64493.84714	53788.287	604856.3663	299642.9887	124938.507	54478.35425	310651.0918	103479.9857	226739.8124	357619.311	164840.1981	1207168.091	780479.1129	1688305.858	608094.5878	257945.0432	56672.65612	171858.744	176198.6017	347606.0203	233715.5645	327191.7581	324616.3344	43017.29343	88932.882	154061.94	61743.30129	86956.16229	886241.8287	404530.959	61889.10975	67377.8	63545.56312	45279.258	195632.5946	59035.73029	87700.36	114633.267	37183.41333	49396.23771	109002.8333	90593.43543	147941.3562	230358.2644	51377.04817	75985.516	23306.32229	118447.5967
C367	LysoPE 18:1*	479.3012	C23H46NO7P	Lipids	LPE	89576-29-4	3	150678.0062	55926.49333	121730.5509	248303.9423	67861.12171	57062.49714	30311.6766	269841.515	76405.0992	356548.611	1468696.928	263321.9502	195367.6692	80628.0475	1074385.769	729829.7973	219563.4684	1002577.523	408223.519	249559.808	65595.038	264328.8192	258867.8147	112045.44	698901.249	395590.5567	66198.60427	78877.442	297183.068	54547.73	292797.9635	225705.0497	224518.7232	203446.5761	180499.237	66091.158	100144.0057	71107.614	253055.9145	123402.8863	509671.8789	23540.7315	1432196.814	1337716.316	95730.20657	35064.88	698258.4625	118689.8004	73193.8064	52524.26667	91728.72086	199291.9032	163287.8228	265812.785	242139.5924	154981.64	895299.8077	62052.981	339888.9936	392583.1107	277369.9217	242196.123	200404.8043	93576.9905	472573.5612	157104.3525	73039.3878	84602.38571	82325.44714	2497526.979	1431263.723	60405.04075	131287.2727	86712.62833	83153.95393	559985.7726	842426.6017	206793.5427	188436.3833	549742.416	2179640.762	589940.0256	158387.0828	315614.2994	258242.5485	2124078.896	380297.0058	297569.5567	168108.0943	1068697.122	499749.4412	317540.0957	166032.3103	147421.912	121758.7248	146566.2226	82923.77393	594003.3043	1934218.639	1513635.662	768962.9199	1150380.793	1055752.453	45833.72867	628453.0859	132424.6699	705326.8119	1067387.35	107562.609	119131.7599	226518.732	112944.7052	1179140.025	395947.3008	175083.9853	1435450.35	218215.6004	1390378.322	314335.232	244130.199	1378815.243	433008.1583	203563.782	597613.7048	339540.5263	1752690.987	343871.1997	677057.6003	112576.9839	1827515.422	239981.6626	170033.883	89216.53173	161910.9956	123387.1275	134389.728	440927.1476	460675.9463	90477.73317	298170.9605	433014.1979	550122.8814	244508.862	81245.59238	348856.242	524320.8707	261840.9317	75390.51	120960.95	9477112.864	294761.237	240006.9033	194572.7894	263106.655	30124.302	902806.8696	89740.83529	79298.1	229979.522	189746.5269	90527.91344	174007.673	135706.3195	1212016.593	69391.257	2336847.217	1576726.753	158292.5043	66255.00886	1302557.29	661928.2208	325673.1628	51304.0384	262172.6738	90863.23681	195911.6437	415374.2116	361587.484	2629416.046	1667650.414	3774968.293	1672185.926	524978.5167	125675.4454	226010.2446	405266.6053	291222.2945	505372.067	731104.3546	813502.7336	110474.2567	111855.44	276932.844	71111.214	199025.2693	2403701.271	598399.854	128881.8468	194467.667	155664.6771	104264.0804	477494.0719	142772.6976	109443.9496	351028.3227	99395.96229	65643.7938	306589.0661	227421.7734	389537.7363	585263.458	128008.5879	210647.8277	61385.70387	331122.2827
C369	LysoPE 18:2(2n isomer)*	477.2855	C23H44NO7P	Lipids	LPE	-	1	2646660.103	1844284.25	1093868.344	2621156.148	1932367.08	1534348.27	1014183.493	3352001.383	2548915.687	1536545.791	5999407.849	1290657.244	3892857.349	1325206.268	4743900.765	2181250.649	3217596.715	7991904.73	7192340.662	3331682.419	2100059.456	2938251.619	1748836.439	2319205.672	1742787.052	1713436.032	1155195.825	1468554.975	1776867.094	1182291.429	4497201.319	5622151.744	2354958.872	1837590.038	3712190.311	2021061.656	1839877.827	2132469.501	2115480.015	2003707.75	1653345.488	1069153.31	2663464.739	2521172.214	1353174.877	1078877.969	5488172.649	1121971.069	2968603.112	1070709.512	1371478.762	2009354.576	4416712.494	3403693.825	6144026.603	1847711.329	7193215.205	1232673.094	4275989.437	3035856.289	5297134.742	2397281.614	3462726.056	1655366.106	1693392.957	2434165.155	1871764.253	1523313.945	1879629.205	8437509.086	18924103.87	1979634.278	3047479.557	985568.892	1835419.95	3501734.775	3615961.316	4269568.182	2116265.51	13882983.01	14709260.29	7881687.22	6849512.817	6095427.885	5385392.9	9883552.882	3081545.597	2831631.45	2913136.513	2015671.365	3136266.873	3168241.636	3297055.272	4751790.615	3284292.986	2499715.169	1465610.824	10292011.26	8640499.196	13549972.74	4914226.047	11887907.28	12167794.5	2895322.224	10248148.08	2171878.928	5902931.828	7303542.487	5295200.708	1927531.392	3253004.508	2200838.49	5761350.483	1891742.76	2230780.439	8590367.989	5002997.837	5048972.352	5680703.299	3343138.872	11973067.7	6794536.285	3350837.542	7872498.72	9992020.096	10476132.55	1559865.027	5898793.743	3569841.562	12720591.85	2445004.84	3530601.439	1600983.096	3933864.094	11905694.54	3065640.79	7800060.502	2816360.852	4186382.79	6396184.011	6320623.502	6284005.006	9074736.48	1888315.7	5713375.499	5544034.262	3636215.556	4754044.868	3547382.007	17163433.48	6513503.196	3190452.256	7997094.793	2276023.41	1568674.865	4305846.071	3034143.027	2420208.074	2173097.705	2350841.384	2071341.322	3860853.876	2318320.564	13872805.5	2508958.637	12008348.94	12586661.85	2495960.391	1511152.123	5559888.325	6472183.57	4482576.207	2169859.234	3873784.6	3411920.832	3812753.098	6035224.001	2689604.999	11932717.52	16664813.3	12376048.98	17812557.93	2434547.118	3977864.464	2523558.173	9349362.836	4415171.807	5542364.727	3279688.629	5327207.542	2865101.61	4204754.407	3754472.55	3136788.501	2975581.828	12221433.65	5156932.192	3493033.411	3126143.056	2907174.524	1971689.159	2849486.362	2321161.994	2482825.296	4230727.875	2240940.076	2226507.07	2531117.464	3141060.879	2177647.83	2269467.684	2380656.382	1375178.569	1349788.141	1622733.926
C369	LysoPE 18:2*	477.2855	C23H44NO7P	Lipids	LPE	-	1	2741250.382	1874815.597	1117241.344	2598196.813	2065885.536	1645546.432	1147802.8	3343451.409	2620178.531	1640350.501	5962211.943	1326663.975	4068227.362	1200756.627	4879041.831	2373702.408	3208596.698	6503510.621	7110689.512	3397948.181	2129046.019	2912849.1	1659319.463	2308936.232	1694935.452	1723101.407	1151771.644	1458829.525	1793486.362	1143280.678	5056864.113	5727739.281	2324056.536	1956041.346	3668753.528	2035688.156	1828343.393	2062733.107	2143920.449	2040800.454	1666072	1097131.125	2602384.52	2782173.956	1339530.947	1053056.085	5514673.375	1147027.219	3041313.64	1092150.001	1338329.344	2007412.496	4641380.123	3478376.475	6102081.986	1881999.027	6824831.475	1226763.694	4333583.206	3065364.739	NA	2336632.477	3384040.471	1515160.877	1600065.84	2475119.923	1939603.739	1478934.312	1861633.222	8087840.728	19556346.44	1777397.304	2940493.007	992179.012	1845612.563	3470002.988	3652907.024	5579774.5	2055938.374	13445777.15	14817593.32	7920189.585	6872728.748	6215526.726	5223982.736	10447212.7	3229536.573	2821202.43	2979279.782	2174390.1	3175072.602	3055372.005	3431718.652	4654247.675	3430860.425	2435025.212	1444237.412	10126581.23	8084638.633	13910686.82	4939100.362	11707140.39	11575532.37	2838822.493	9780357.421	2193132.708	5819905.692	9067989.536	5334408.638	1890767.101	3321497.718	2158713.21	5335011.21	1784897.85	2110556.342	8775183.509	5134198.288	5364041.612	5622622.16	3618124.035	12211632.02	5311092.67	3317914.327	7710242.56	10064282.12	10501648.71	1613087.056	5962517.586	3518426.419	12807189.19	2419414.668	3430021.795	1698898.568	3375014.464	11460382.77	3156052.013	8298117.578	2838082.228	4180751.683	6284787.278	7225663.082	6433427.554	8772358.24	1960451.594	5683178.978	5474820.698	3735341.598	4728172.27	3629298.045	17275527.57	6220045.269	3138559.062	8088461.319	2123028.18	1542905.638	4774795.754	3046713.834	2333500.675	2121710.487	2432893.729	2130176.997	3962681.316	2221735.332	13960200.03	2561319.348	10974580.11	12166364.98	2463740.469	1524893.782	5427747.278	6233859.775	4451312.216	2226241.718	4009004.368	3386407.781	3863813.815	6056796.985	2694838.235	12054005.04	15503385.28	12935614.42	17788276.92	2350299.214	3944561.083	2492101.101	9334618.389	4343577	5289932.599	3306198.573	5214165.653	2807124.048	4412177.374	3730574.848	3146996.71	2975382.667	12663326.13	6586814.465	3576064.73	3216245.395	2918330.413	2448153.947	2932372.486	2273203.715	2550782.036	4192590.048	2261223.95	2241079.69	2498883.134	3170004.679	2149892.733	2238692.373	2321655.806	1762729.559	1366644.47	1662947.021
C371	LysoPE 18:3*	475.2699	C23H42NO7P	Lipids	LPE	-	1	578514.0795	369622.689	218962.432	492681.0833	449660.6793	600833.025	331423.704	820963.6023	547835.4973	449142.727	1455333.612	287077.782	1477347.546	258951.536	1557792.093	429830.992	759129.4462	2519773.084	2171679.928	1227446.915	507343.7285	636689.3963	441473.1243	512395.0055	499301.553	438318.8645	306622.6815	476704.8	547800.1552	344850.805	1017868.425	1538576.067	767824.272	297713.493	1419393.741	588700.6593	422685.7163	613669.51	737145.216	651188.8404	261867.786	251354.267	487348.5338	644454.9216	348841.1975	200099.687	1929081.787	312699.8	1219516.864	184177.2562	269633.9333	415585.6372	972704.9745	869825.9762	2601046.952	397297.8818	2006309.203	293118.7013	1013982.713	711110.4276	1996384.585	518277.848	931767.179	483856.1525	392951.838	769105.81	629962.8122	420329.4596	614598.1836	2597780.391	8359052.482	435189.2616	883987.599	239335.656	557044.8487	864119.774	902866.5075	1734628.761	446839.7614	5095092.331	3639603.004	3036139.471	2784153.199	2458311.712	1590285.351	3611110.754	868652.46	703485.1162	762263.106	544897.5952	1336287.216	964835.557	891518.76	2229630.982	1071851.741	723341.2518	392514.992	3113173.429	1916901.781	4646168.765	1647666.375	3575177.077	3975165.994	837039.2695	3649479.696	763072.3153	2584094.31	2345033.448	1243826.65	535374.064	1281917.91	759391.1962	1521361.342	517049.724	571338.765	2241862.955	1563300.151	1525176.555	1850207.677	1146297.394	5163432.105	2193421.538	808716.528	3112278.981	3285640.837	3657985.265	337085.2224	1863380.254	1100859.829	4999201.499	465905.767	1204620.162	637197.8364	926916.0912	2923449.154	1094915.412	1871383.653	691069.4592	1304341.515	2078713.835	1907323.465	2102066.83	2686553.792	517959.6606	1680878.696	1380585.56	1170000.503	1651308.543	859607.5104	6139009.553	1975647.58	639707.988	2292010.476	880171.3968	357064.72	1445140.688	756266.92	767474.672	536879.7672	690227.2458	499812.498	1141523.579	691426.7234	3238127.904	565136.2332	3738984.175	4421335.563	785926.7108	426776.86	1514022.757	2132528.683	1119672.831	560755.1488	1119861.864	990044.7875	1124474.77	1621895.683	470674.7212	4256022.475	4861469.47	4245977.712	6172095.615	717973.3787	1259042.414	968626.9065	2392701.381	1250918.48	1183648.68	670887.8633	1481542.621	1084255.968	1290646.529	873257.231	904366.48	872891.922	2184305.568	1579019.024	799742.8772	1189292.112	1145442.71	698852.112	581048.545	904542.16	588352.2772	1166653.792	837988.466	604171.328	834165.728	897082.592	565181.1715	668141.296	580434.3825	391127.086	460082.496	457097.058
C371	LysoPE 18:3(2n isomer)*	475.2699	C23H42NO7P	Lipids	LPE	-	1	594157.569	388595.964	375086.0067	537081.625	553241.4825	588869.775	385097.7112	838090.399	552794.3817	407306.346	1442535.488	305909.364	1543290.756	243822.394	1615468.617	436888.128	729590.2725	2215607.71	2220230.936	1077758.685	476992.9378	665223.6717	556642.6845	536175.5745	510060.3195	463974.8163	302114.709	492120.525	539101.68	348197.9995	836975.2085	1495194.456	730127.088	287802.4965	1425486.947	667922.1934	413504.546	644550.1515	710675.799	663904.9494	250606.062	282795.007	481949.8013	586775.355	351630.3315	200062.2	2089492.561	278421.3337	1170608.726	214338.7523	305427.1903	395767.0202	971802.356	886096.717	2476194.511	402563.2298	1740444.675	290440.2563	989123.6635	748154.3124	1695080.956	507624	931503.496	459670.6555	380749.7755	844330.1983	571554.632	421097.8864	640745.148	2630898.498	8286021.04	433592.2404	875301.7735	233060.31	539896.92	873419.8638	865107.9262	1679793.699	476019.8392	5083375.836	4641710.211	2748074.89	2791453.114	2494051.856	1463775.703	3543185.134	1037484.046	672244.86	750283.083	529442.1596	1162182.728	835726.0818	980989.4952	2286920.61	1247137.064	706017.25	390801.136	3241862.8	1856733.86	4263557.152	1923393.544	3644208.671	4007363.902	913783.2865	3748271.392	740725.1968	2631382.19	2367782.925	1237293.055	544328.864	1278168.885	729934.1654	1444660.443	505612.005	562687.0848	2100210.83	1558443.947	1444755.795	1951227.224	1037790.81	5051018.302	2076266.484	840099.808	3084082.074	3328444.598	3757581.164	338052.296	1857639.064	1124257.826	4689906.048	505590.362	1221896.509	614998.17	913073.3216	2998284.817	1101648.49	1785564.707	721211.28	1259958.277	2122513.251	1895693.57	1929989.945	2646406.412	512957.8926	1738175.876	1321004.887	1179441.781	1575251.4	820353.2418	5926669.733	1881755.19	616865.11	2331819.798	824953.6728	367397.632	1405773.775	764946.09	883968.528	566583.1834	647160.8418	540919.548	1168821.614	706559.9114	3590205.672	564310.53	3722191.071	5135929.755	733846.757	415676.895	1439398.415	2120908.439	1188062.471	578427.9424	942189.3396	1011888.288	1010225.681	1569807.305	426567.632	4205907.645	4754203.955	3996535.536	6573955.094	727082.693	1243603.577	972649.5735	2441640.362	1256738.845	1214796.216	702547.8507	1460076.959	1000766.976	1270004.456	923096.163	883918.304	852409.299	2128881.456	1805094.432	811802.3936	1136120.608	1078110.118	669974.224	584106.97	894542.064	602252.3076	1182761.696	831562.774	637856.016	865079.552	865910.128	557767.15	597254.6685	588718.7828	366696.8655	382755.0825	467835.709
C373	LysoPE 20:2	505.3168	C25H48NO7P	Lipids	LPE	-	1	6644.6445	4243.709714	11389.9744	3399.2	NA	6855.167	NA	6729.088143	6477.08625	4216.457143	10032.73833	3975.0325	10162.09229	NA	7313.8	8176.17625	6972.221429	16299.992	9139.801667	9447.430125	4939.168	13538.382	NA	9302.10975	2685.916667	6117.60075	NA	7257.312857	NA	8837.764364	9861.08875	7650.8775	8139.375	8795.570615	4968.9684	4419.330714	13982.52346	5597.010571	6430.225875	3572.998	NA	6649.2144	NA	NA	3241.308	NA	NA	4440.71875	NA	2392.232143	NA	5283.958333	13394.49231	7114.761333	10689.52688	NA	9931.6575	8578.369636	7663.892143	10100.723	NA	11715.27538	NA	NA	NA	15553.67937	11190.54031	5731.417333	NA	NA	NA	10909.89	9145.206	6671.437714	6318.34575	7020.468	10616.14208	11682.97	NA	25140.76143	46909.872	12901.11714	29731.9163	7835.122286	7269.938571	14696.46429	8547.6048	6876.344769	7541.086667	6270.708667	NA	9966.341231	7508.685308	17636.15733	7467.997143	5399.056	4804.624714	33352.37714	23343.0528	18161.17875	12117.72562	16727.1125	22846.57886	14904.196	22085.145	12148.27727	9419.51125	15099.4935	22187.75867	14248.71	17394.16133	5436.145714	5398.40625	4374.263	6513.49875	11624.16375	12916.2625	NA	23753.6069	19897.18145	35476.924	11672.0925	7437.045	8922.62375	15528.32443	12848.31329	4010.787385	13577.762	16627.21036	19556.69557	10654.36578	6947.472	6671.964875	13837.57227	23586.61387	15091.93143	NA	12400.18	7742.12075	12820.61625	NA	18208.23174	19758.88964	NA	21596.85391	NA	5241.46975	25757.5275	9086.100364	20601.86562	19641.48136	13997.59368	24998.44536	9962.090769	8149.933846	17356.71411	NA	13595.94482	4421.123667	NA	6529.956923	16517.77983	13527.952	44604.34971	7492.188	14202.49562	26447.28	NA	9128.567625	12604.55733	22219.30571	11624.40423	NA	10865.69867	NA	14693.88123	11646.46093	12218.68882	26622.37878	40687.78182	20122.41733	27128.28375	NA	NA	NA	21329.04563	12284.99657	7795.857	8139.792	11768.42308	NA	15967.53	12929.24876	NA	NA	NA	5185.742667	13184.05538	11707.06829	9068.061333	NA	NA	NA	9262.874238	8501.814	11595.53648	13401.48395	13765.02	NA	NA	NA	5268.58125	NA	4889.883167	6013.010286
C374	LysoPE 20:2(2n isomer)	505.3168	C25H48NO7P	Lipids	LPE	-	1	6248.0925	2903.590857	7354.7955	3671.712	NA	7883.18	2591.79375	6421.449167	7146.62775	NA	9049.9024	4655.4885	7811.046286	NA	9059.254375	7394.072125	10296.069	15017.94643	7619.4194	8765.479143	5104.627714	15802.436	5821.14375	8394.058125	3183.837429	7238.340625	NA	5936.4975	3102.45	4933.7015	9108.95125	9240.02	8047.03625	6707.21775	6081.318333	5166.084	12094.07911	5062.94425	6283.16	4390.282	2336.8092	3984.04825	NA	NA	NA	2090.328429	8538.514286	NA	5539.560714	NA	5804.6825	3745.578222	12000.09	6678.2235	12531.80187	5130.3915	10887.85875	NA	5423.745333	8547.571375	7667.51	11348.568	4557.081	6390.378	2445.282	11319.127	11718.31608	4632.67025	5762.282889	8798.139	27787.83086	12117.40385	8793.719375	6010.386462	6715.33125	5934.4445	7528.928	9860.068	NA	22055.26243	27766.52562	12094.68062	13600.46814	8774.598857	8167.568	18548.3415	6616.1375	7812.538667	7135.494	3543.871875	5482.003111	8854.317538	5946.775	9636.03	9395.9835	NA	5060.519	16937.80875	11139.05571	18573.518	13435.09562	14012.8	21287.26425	11626.20192	18787.65625	7359.264	10020.97543	14061.32571	25072.62008	11400.55222	9981.692	5080.85225	4774.539	NA	7351.2945	12455.469	12816.5975	6709.148714	11287.46775	15020.34717	20082.1575	10228.50537	8763.156167	10336.71812	17682.20288	9739.161143	NA	11509.62844	8999.81875	20470.584	5236.35075	11577.9885	7146.62775	9966.819231	25166.96462	12599.585	9413.364556	6659.18225	12018.69092	16425.039	7266.082375	10064.89375	14867.37293	3397.71525	11524.301	9719.442	4961.056	22178.81515	9498.161071	21038.15625	11993.92133	10980.68815	24009.99817	9969.642692	8763.848077	10682.997	14227.6875	8064.375	4537.421214	NA	NA	15806.51407	17980.3774	21296.96375	NA	18391.806	24368.60357	NA	9942.473538	12674.13583	23244.19014	19419.32341	NA	7234.875	NA	16536.24862	12737.7326	7239.926222	16855.78813	20643.83244	9987.952	24881.931	NA	NA	NA	20897.55371	12701.29986	NA	NA	11373.978	NA	14533.02	5412.22	3745.578222	10128.58569	18500.73257	6764.374286	14420.94769	4953.676	NA	NA	7484.717077	NA	6584.255231	8845.283778	7053.256875	12888.175	7372.356	4967.001	13798.01667	4932.407667	NA	7009.09875	NA	NA
C375	Choline Alfoscerate	257.1028	C8H20NO6P	Lipids	PC	28319-77-9	1	2884881.14	3145307.272	2055556.831	2267563.191	2364145.053	1375627.054	2584198.609	2274554.833	2447976.83	2196057.498	2799761.276	2527100.164	2355367.221	2389600.33	3145679.049	3612360.675	1945058.747	3555981.009	2152662.019	2419109.33	2434285.388	3119502.137	1532989.734	1710218.832	3456139.331	2598954.387	3773338.021	3416854.668	2613467.542	3459875.341	3787710.121	2126908.666	2864164.832	3037965.11	2975057.741	3671001.419	1975354.206	2967858.993	3139513.83	1994522.34	3710448.83	2912256.74	2748654.94	2725982.387	2421675.33	2631673.72	2734967.14	1980770.999	1972481.995	4397305.223	2812175.832	665315.874	3679272.353	3484375.317	3243653.6	3634821.535	2894686.246	2908569.041	3737718.337	5292934.699	3689898.614	3205514.801	3157333.54	2704992.897	3271906.711	2412261.72	3379459.572	3690412.219	2679174.81	3024839.36	2471829.541	2265790.83	2873359.284	3102023.731	3598793.514	2774695.098	1774933.601	2737310.409	2414121.5	2884946.167	3002772.648	3189109.142	4147276.901	2493149.34	3036983.491	3433320.83	2280463.22	2312542.999	2075345.54	3268096.831	2449471.942	3261858.708	2908184.164	2070929.413	2462395.954	1766470.557	2802317.491	3065841.121	2853594.74	4042806.292	4194527.432	2075469.099	2671450.164	2034209.33	2305763.498	2841060.527	2355989.332	2184178.832	2664063.332	2221078.164	2525824.999	3485593.999	2430762.991	2861992.164	3108861.838	2890747.34	2880347.83	5257340.956	2284237.054	2730913.78	3201144.272	3124347.052	2613331.947	2458998.699	3172377.641	2101107.276	2837597.203	1949831.943	2394443.042	3025278.303	3108991.053	3260506.999	2508709.777	2367994.387	3577231.129	2777547.191	2514269.053	3026871.942	3104768.999	3948268.046	4430789.541	2228671.917	2893428.387	2199187.54	3173564.395	3195789.74	3403567.907	2555890.053	2586841.899	3649844.2	2902604.833	4468652.573	4513156.823	4227813.901	5308966.743	4161035.406	2774939.791	3231545.736	2689736.166	4013339.312	2233904.291	2137034.387	1936008.11	4081542.833	4404504.606	3740722.717	4108065.415	2732802.83	2931280.164	1939299.499	3394552.657	2509636.841	3082988.167	2783211.61	2951168.387	2914599.72	2594463.498	3560004.609	3852461.42	2611143.942	4163215.927	3144743.836	2515950.832	2697112.387	3093521.5	2933546.5	3440831.11	3249889.14	5265545.442	3582836.752	1890586.943	2826657.943	3895533.852	2098330.477	2548179.561	471241.374	3283084.458	2811443.391	2965282.609	2653695.691	2038213.167	3082376.54	3252026.132	2988846.5	4255108.533	2543383.831	2326366.832	2681404.833	287849.874	3352244.541	2647820.512	3353280.166	4157340.306	2301714.83	2579803.777
C376	1-beta-D-Arabinofuranosyluracil	244.0695	C9H12N2O6	Nucleotides and derivatives	Nucleotides and derivatives	3083-77-0	1	194178.3625	184253.2388	62120.74483	56822.79086	118558.14	162069.0782	101109.1107	104515.3896	127420.9896	140123.3625	245839.5538	189935.6107	169754.112	49398.7896	93778.3896	488635.8625	64728.0175	176936.6107	102851.4288	82417.24012	70862.8884	146031.7896	76835.61375	232005.827	257791.0526	185195.3622	320686.9896	84145.726	99582.1125	128154.6908	287606.2511	255700.8038	131370.6615	139589.5896	63007.7908	97920.80375	84956.16033	67118.1615	151758.1896	118337.1776	271393.3317	174047.944	176786.4884	198285.1896	93522.16033	93765.2884	114937.1603	208992.9884	252650.6884	64177.652	126157.25	110957.5896	256246.2425	303550.1908	142746.8508	128560.1491	265289.1696	130641.4937	424477.9896	389919.0063	132069.1603	243427.1603	426168.4937	98771.9508	193481.4115	192558.7896	117547.9532	151397.6508	201310.9937	93062.5896	116794.4508	132413.0884	100206.5884	69935.9508	75007.735	27300.2184	61567.3896	105833.292	100300.2125	74576.36229	282687.9937	168358.3038	57264.5884	150628.827	132884.444	190622.1125	190919.6021	164659.7773	141550.444	316201.2425	123982.6788	128136.7896	100025.0526	176326.827	42541.7508	251970.1896	119547.1896	156118.3932	252685.9896	189695.5896	80028.5508	162493.2773	153189.7896	88525.327	145019.6673	102427.1125	112373.4884	74261.3508	119433.9491	75157.0884	216149.9884	75872.7884	110957.5896	128852.5896	136543.1113	162172.1125	81089.6125	66568.6884	166789.9896	125256.0884	160326.7773	138762.2401	100936.3896	137939.6107	141592.0537	119220.1603	291339.1896	177502.1884	141756.7908	71343.9625	116667.6884	199000.9896	118099.0884	126705.1896	128118.8884	166789.9896	247226.3651	78746.5896	89239.16033	110187.7125	81609.7896	168315.2194	133863.1896	117383.9888	78139.8016	139223.7448	50107.5884	108499.9925	173491.7448	94460.36229	98775.1884	100660.4937	96503.49012	164191.6603	89400.2508	104719.944	88525.327	90199.3896	166230.4276	66764.79086	134226.3282	129049.7508	68009.5896	177775.2448	106647.0239	150216.444	138854.3884	122563.0526	108525.3282	110793.648	150735.5526	184935.996	157071.6615	132654.2508	131933.3508	264842.1603	112296.5239	81386.99367	160622.4937	113189.9508	189605.3508	72098.6508	232005.827	77817.827	284803.652	158916.1896	214873.827	279170.5896	142727.0496	375649.652	137068.9337	177265.7739	165619.327	115650.9937	133147.3896	218441.3508	217581.3884	140584.1508	50052.416	46867.1508	111503.7909	187034.327	298461.2508	237184.7508	161490.2508	83528.49367	170141.0508	184178.9937	506117.827	115650.9937	259845.327	118236.2508	108794.9884	71025.648	363437.9276
C377	1-Methyladenine	149.0701	C6H7N5	Nucleotides and derivatives	Nucleotides and derivatives	5142-22-3	1	1472454.126	1675285.134	1276726.024	1469076.352	1766620.24	1289075.961	1529695.954	830940.3436	1245974.669	1327037.138	1181843.015	1090128.412	1711957.569	1487373.823	1491631.099	891697.1844	1863497.771	1334164.375	2087050.974	1912707.013	1566750.829	1391227.489	1596371.296	1063226.205	1537862.48	2046108.24	1204872.393	1459996.055	1243244.435	1489903.74	2387190.96	1346325.2	1644106.065	1050963.76	1337527.723	1041554.092	1808892.407	1694045.707	1607556.221	1704581.214	1429239.071	1054874.772	1031138.687	1090333.311	1659310.083	1449634.273	1385620.4	1159615.97	1128978.682	1731464.765	1457583.707	1102899.455	1174935.08	977741.5704	1821523.958	1550795.212	1358679.997	1322726.073	1448300.252	2117979.885	1878877.516	1523106.335	1403886.507	2124652.76	1675209.351	1525638.686	2879692.326	1891754.48	1121379.533	1182228.191	1386510.951	1610328.545	1388635.548	1492541.783	1510280.297	1649609.752	2089670.237	1771029.208	1136706.938	1495783.153	1675850.413	1614661.554	2161097.658	1459266.191	1265906.982	1573061.143	1760490.97	1478489.78	1841795.667	1714724.827	1410913.53	842844.6652	1656947.854	1474667.623	2538183.12	1261703.836	1330598.238	1364100.457	1622720.647	1863572.342	1899127.12	1303274.123	1283400.683	1768534.156	1921655.903	1524349.357	1566271.33	1254901.12	1438479.163	1697911.6	1082109.311	1527997.515	1506791.553	1702061.478	1477148.112	1188436.876	1429561.665	1769691.981	958446.39	1465778.346	870942.676	1687651.895	2274887.291	1612764.763	2129714.37	1487730.735	1914869.167	1433881.005	1259379.664	1515131.919	1184356.929	1098727.544	1355675.17	1498467.24	2200964.83	1183578.569	1926590.104	1489632.314	1765532.802	2534989.713	1955601.665	1803236.185	1527577.094	1572786.205	1784752.78	1907599.647	2192883.814	1469504.117	1282050.794	1453373.68	1718815.705	2191108.153	2312723.475	1651492.528	2540228.845	1649155.064	1751528.552	2231954.705	2092556.826	1899752.453	1266258.488	1737293.36	1597683.302	1463805.863	2064127.273	1247216.593	1690436	2069237.475	1760679.36	1170650.125	1528641.655	1263698.481	1778554.463	1514282.803	1612801.063	2354461.79	1623112.587	1550272.874	1346149.972	1924596.354	1627438.186	2270191.461	1449827.687	1948056.842	1443451.264	1747259.561	1596929.234	1498680.43	2127718.82	1065330.485	1104548.723	1312380.917	1849932.231	1908758.296	1751057.768	1386565.84	1286472.251	2270452.171	1679523.375	1794168.283	1672549.12	1637814.049	1385792.307	1750816.01	1334995.2	1827520.656	2286470.928	1700723.34	716634.7402	1850176.046	1694353.809	1564659.821	1709439.417	1883329.22	1347157.572
C378	2-(Dimethylamino)guanosine	311.123	C12H17N5O5	Nucleotides and derivatives	Nucleotides and derivatives	2140-67-2	1	3333474.599	2171533.818	2993966.706	3198990.436	3509781.846	3850327.514	2431910.038	2916208.939	1468491.033	3938006.062	4008549.012	3657242.436	2230380.832	2248897.203	2134022.963	3482645.285	2674858.921	3185468.636	3986185.103	2008475.58	3545344.658	2382381.153	4763121.181	2518455.997	4320440.07	3113905.248	2783591.856	1959330.363	3872229.597	3325920.109	3486099.354	1914728.412	2584396.659	3259606.557	1266761.308	2211859.636	2316040.994	2616299.772	3019493.525	2379154.958	5196006.871	3068989.2	3456448.912	3628749.123	1899056.64	2104117.236	2135597.765	3862950.038	1887685.743	3225104.848	3959135.018	1906972.974	2774541.504	3766851.745	2455928.46	3892222.412	2667024.766	2752792.15	2130893.386	4620637.382	4063794.735	5647801.142	3177525.866	2336038.307	7660291.744	3299122.141	4236387.186	2483779.763	3970763.35	3704600.038	2109959.917	2646180.9	3514867.768	2340127.456	3005790.032	2781115.321	4277692.76	2226902.426	3084282.715	2249864.312	2504861.686	2546696.321	1895565.711	3629604.182	3207169.788	3619575.12	3238881.269	2073399.093	3070442.436	3327779.464	4230086.657	2556734.787	2684063.514	2992368.775	4168936.879	3022952.038	2749626.799	3304888.737	3122497.587	2358225.198	3504839.593	3066059.914	1659502.429	1635337.98	2986079.868	2705754.055	2974870.03	3057390.051	3923338.208	2975354.363	3506106.485	1976349.591	2267796.346	2690201.22	2453372.389	3693198.656	2839970.3	6385165.575	4155468.522	2479170.33	2895079.966	3354804.663	4868119.172	3054567.348	2788651.252	3652732.38	2469161.977	2424996.362	1724188.088	2102657.464	1938354.633	2500368.784	2216624.324	2348216.403	3041810.665	2694002.243	3936621.724	2849308.887	2915422.73	2562610.821	2328019.646	2279866.497	2387946.672	2097340.963	2193298.772	3892269.218	2231124.774	2146982.86	2493404.237	3099228.006	2745321.46	2002202.925	3748468.111	3253817.823	2814376.006	2652612.544	2866099.378	2307693.122	2614974.075	4218420.838	2883979.196	3171127.946	1770649.944	2640939.465	2660634.198	2632228.078	2241375.553	2851604.923	3147789.425	2802154.3	3064646.323	2430673.961	3287914.698	2418195.416	4385206.214	2556361.768	2563004.868	4381550.981	3477317.965	3431629.748	3670890.984	3728283.526	3201177.724	3121826.056	3569473.806	2462868.433	2485973.704	3326224.394	5497505.575	4317688.741	4889426.961	2694618.585	4371797.548	2281309.044	2525238.231	2445515.155	2863180.593	2737130.771	1779386.307	3096780.414	2931697.818	3341663.397	2601033.049	2994017.684	2376688.983	3009875.764	2913702.097	4323349.385	5223269.482	4310436.156	3387950.083	2300029.22	5271890.18	3143574.831	2826842.828
C379	2'-Deoxyadenosine-5'-monophosphate	331.0682	C10H14N5O6P	Nucleotides and derivatives	Nucleotides and derivatives	653-63-4	2	344652.6467	467916.3125	384503.8575	452853.4012	362489.527	339450.7886	385760.718	338301.7575	254579.745	264193.1775	311422.167	305735.3033	230266.7548	355047.0175	301180.042	222588.7792	329117.065	404797.052	365099.273	232383.438	366209.9525	237836.2	448027.448	347760.1939	464598.2354	331034.264	357071.309	368070.7275	307295.415	260547.5667	207473.1571	302374.315	344554.2864	418975.567	396082.2384	330526.8112	252483.859	299629.23	320770.144	298556.3837	358882.784	210920.725	292101.3725	294243.072	366520.3675	346363.9725	313276.8902	290324.358	398522.4592	587596.5997	332519.922	313185.5825	351616.738	422334.185	386066.3471	314214.7035	269153.815	286519.0475	241936.965	511887.894	283727.885	348947.2817	247715.7187	301827.2053	348844.72	366413.5103	384282.559	320881.6643	235295.034	356596.52	387575.204	290278.3456	299852.315	236905.8125	244418.4357	413606.5866	439562.112	438677.106	302428.2593	495823.65	222266.3572	294270.8475	332197.9975	329917.1776	315016.2048	327488.898	347942.2715	292552.8876	331886.6342	408637.3174	293030.045	314752.776	254891.0175	380052.3578	547733.1113	342952.8375	296441.18	293768.95	335201.895	443549.387	353532.8133	440333.01	212726.8388	193867.1315	383996.6622	248911.152	250908.492	340059.7234	325899.735	363153.0027	275317.309	300269.856	257678.85	291008.1571	370970.03	289619.7675	391016.57	403589.032	264730.609	295511.65	382815.1932	359545.8473	413655.6713	410668.587	253414.5177	336095.7434	345434.4425	286232.5224	403135.9793	358080.4692	290520.722	273269.2427	301866.4432	270474.3075	287759.85	354932.2125	311748.3373	340000.9798	291255.8745	331588.1073	222222.6673	248617.7153	175200.1125	303972.0182	277420.9918	225515.2725	406209.755	328690.04	364848.6166	227771.9296	332720.29	545000.9487	405613.8688	280628.0225	252403.708	309724.58	398625.1647	297061.1525	332284.9992	371945.7485	349465.55	318793.614	284037.4425	355630.016	387509.1475	348845.5775	317217.5475	290676.2013	337680.9275	214891.215	394231.3352	359802.9657	356119.6778	364372.016	479869.6905	501236.622	314061.6448	360582.058	287229.3344	316196.6272	366385.7472	370164.8	386984.605	411791.2225	250069.7903	322597.5793	447627.2767	389212.0584	406328.1835	456393.3754	447612.72	397527.5675	418009.66	213746.1408	215510.33	321185.298	258687.107	270735.7345	268224.285	327664.0957	348516.4832	278877.852	349030.48	248998.2775	376939.0742	291790.9575	324437.996	408988.58	455228.6323	253959.7725	221465.9035	293409.9553	367463.778	288797.5827	235704.0972
C380	2'-Deoxyguanosine	267.0967	C10H13N5O4	Nucleotides and derivatives	Nucleotides and derivatives	961-07-9	3	76944.52554	63751.72292	96857.53	187565.7612	142750.488	55754.93	105946.7802	73814.91723	121178.6267	207435.9512	160496.9474	327327.9208	98972.67269	56993.78913	69639.48	319050.9	108180.2846	134825.9091	159393.1375	62281.28	87929.84667	96414.969	191586.384	82751.464	239290.3044	202835.92	122023.1335	66830.20523	267092.3097	141817.8031	221043.3962	167880.2723	276226.5742	80557.983	56094.72	123640.5068	195493.353	70929.492	157689.1093	76194.92	619494.8222	62479.456	233803.878	160808.928	52724.1945	151003.1168	52825.86669	52929.352	98843.05115	114050.0656	93757.40769	200408.0904	107712.6745	118377.52	97045.74	71923.85692	143667.8029	28483.84738	129696.9199	359492.711	91233.59954	213118.4918	147894.8447	125213.3755	206840.5752	79256.12425	160692.378	77566.31646	160388.9151	110123.545	100481.9502	88888.66677	62572.57092	40849.81025	71699.53123	64237.76954	44590.725	79098.166	96986.06185	40261.221	479946.4702	69215.23731	68364.46015	245065.5392	131408.9665	314464.3524	390238.3143	133588.7308	172604.2038	280240.1422	202390.6687	94836.97269	95338.33577	111669.4688	45238.73685	226180.1608	82096.32042	112755.0448	134714.076	86827.715	55598.37	104431.9152	68851.80723	95792.14462	128341.4481	97996.83077	50782.48446	84062.44338	93304.48842	75218.80038	96514.24515	74820.13292	90007.56692	333060.7975	63649.51543	98324.57423	123348.6004	144454.1641	73161.72323	90636.21	79806.78569	155708.0255	121944.0988	61190.759	157999.6534	156514.2729	84715.47231	99149.39569	118504.6296	56274.81723	87632.39446	86070.89823	40367.71077	95493.96231	100816.29	64556.68154	192154.8192	66235.58308	54028.8	161591.4907	63427.58657	208114.483	101766.4068	75201.88275	91078.482	139173.0591	64078.99662	67724.643	75316.91833	142280.6194	88976.38275	102796.3063	103811.715	61339.392	79429.19815	72434.71733	85742.1125	95680.08369	158332.9645	46221.06933	53398.78431	112176.2954	55386.17383	146344.8848	103256.792	63832.56533	119054.534	109061.064	69641.08792	98909.49087	75393.84592	101482.0983	116459.5703	86430.15231	75694.71	127927.6418	129500.7792	125396.752	167092.6813	385170.576	330121.0866	46148.01231	219509.8338	147588.5728	211873.4898	222148.0452	81352.55108	199222.6731	117257.225	243072.9485	19237.65415	29692.02523	92824.01823	171679.5392	156412.3545	58846.03477	69551.65262	131754.9402	72565.23869	125436.3805	51672.64338	107418.4935	57484.13631	198871.8448	152291.6978	54796.08712	420964.0276	221070.144	384106.2929	216398.4129	300790.6955	89831.44031	219420.8978	61989.79338	167700.3748
C381	2'-Deoxyinosine-5'-monophosphate	332.0522	C10H13N4O7P	Nucleotides and derivatives	Nucleotides and derivatives	3393-18-8	3	2256325.12	2178043.574	1049404.716	1011692.489	1582515.841	2975075.199	1974915.552	2634718.351	2389788.292	1634159.047	2588960.691	1495964.119	3104271.584	1626190.542	1797699.811	2239490.893	1133849.808	2810199.447	1772627.364	1912297.344	1748514.735	1527400.256	650085.54	1561544.448	1555275.222	1794898.467	1680138.624	2736995.968	1920670.592	1460503.072	2603625.439	3543012.437	1937072.544	2381352.304	2528703.972	3494542.936	922126.392	1674573.205	1584849.703	2053625.769	1635814.764	2826140.009	2158285.041	2608224.52	2396434.828	1640989.664	2208284.366	2906545.952	2425098.015	1849561.965	2790959.287	3148389.306	3849414.228	2704030.029	4836222.807	2094780.798	4281995.2	3322311.732	4290159.096	2654894.659	1473529.693	2750696.617	2472424.997	1669069.93	1816183.715	2159646.066	1383720.98	1994334.786	3495698.032	2219537.083	2846586.154	2483884.827	1852118.325	2435361.327	1897718.58	2002805.095	1423603.712	1684152.455	3321340.078	2221740.76	2411599.014	2841520.774	999610.137	1673194.464	2033511.003	1756660.765	2817131.456	3111367.059	2357663.369	2704129.312	2075112.211	3113014.24	1350368.766	842352.5745	896385.267	2445177.276	1871993.984	2259661.284	2630263.657	2052628.576	1014621.651	2232194.016	3515429.213	2859904.08	2232035.36	2305552.68	2114697.92	2053125.856	2772974.821	1611652.428	2432138.464	2909337.824	2418752.16	2125060.645	2778067.422	2611436.32	1573836.052	1600192.598	2704237.141	1596347.406	2201291.064	1181365.6	1750242.645	2577247.591	1036168.563	2063605.041	2514305.696	3077292.91	2647752.237	2187225.166	2922585.79	3363824.178	1828367.847	2648575.953	1956137.323	1936943.488	2444345.275	2034443.52	1609396.677	856281.824	2646713.124	1906722.648	3272152.635	2461769.248	1955172.771	2471636.785	1735994.909	2489163.456	3071899.701	1377312.864	2242056.721	2245957.537	2076075.328	3024220.036	970402.848	1498947.723	1678191.165	1480172.679	3244844.352	1160595.724	2240201.408	2128789.854	3082114.208	2632854.339	2164755.235	3595487.202	2858686.304	2257644.6	1578577.153	2162299.473	2376157.923	1732351.84	1851495.804	3215653.528	2131152.12	2552921.933	2646532.048	1250514.504	2776328.448	1455059.993	1886901.728	1789384.54	3045571.56	1644063.759	4124528.271	1996820.007	3286547.2	4140546.272	1620431.631	3544703.217	2014286.229	2367769.275	3520216.602	2744467.857	4078802.565	4063530.681	3765461.472	2548461.321	1703299.118	2762560.022	3763841.26	3789881.811	4994069.376	2506049.415	4051945.399	2557576.16	2740913.824	3254400.135	4578979.98	2349938.496	3269247.776	2759869.926	2258540.509	2685454.996	2824736.377
C382	2-Deoxyribose-1-phosphate	214.0242	C5H11O7P	Nucleotides and derivatives	Nucleotides and derivatives	17210-42-3	3	1321491.146	714194.31	303866.0213	407797.795	686549.495	828234.7725	561943.2325	1024257.531	376133.85	1074220.523	807982.4813	278340.0225	591724.415	339906.7044	369581.2312	1231379.204	507702.6133	1286719.56	410804.2737	283605.7725	243566.4587	177662.6133	506590.31	375401.9587	598798.5225	553046.2438	1119382.049	540123.0225	234957.9825	240767.5238	1210082.249	709978.1063	261038.2725	242473.53	522822.3056	525830.2725	222985.9825	568708.5225	278369.352	245993.2725	194088.0225	1358101.495	346447.2325	332502.0225	392773.1063	126841.6488	408833.7348	1218102.649	1032181.684	285996.656	616568.808	181933.1068	396855.295	781194.1547	1352398.991	341884.4587	506590.31	412975.0463	1088526.449	714982.656	424853.9356	1165221.31	923884.5653	308488.428	909650.1765	585238.428	342846.31	388234.6863	595279.295	513478.4265	871051.7356	418716.564	529385.6663	302875.8156	589048.8356	619153.0344	1502777.295	348141.6136	229787.7632	314366.2344	396084.4344	262046.808	213404.8644	214118.5644	500624.8344	144770.0613	316574.8344	316530.31	428682.1547	333388.795	767129.2344	222733.85	206478.2735	269221.1148	574087.36	903523.31	332612.31	580711.36	356003.295	632787.1387	121725.728	260570.0136	572308.85	357065.8344	393207.795	401291.3227	434789.295	429253.0136	796621.295	170710.295	426795.8067	864464.795	193814.6136	132128.808	1334082.31	191169.0463	456752.5463	219800.1943	587254.795	210535.31	587576.2356	176612.0148	478163.0613	966885.2136	214272.1356	809202.5356	1085322.214	624029.3588	566532.31	335492.5653	427196.808	1346698.815	333528.1413	488042.795	681496.392	715129.2675	751667.3227	284366.31	445254.564	259044.656	562583.112	382252.495	243430.31	709665.6187	411419.8963	581891.925	289286.9505	472902.1765	1217808.459	169447.9453	662454.9938	894979.28	3011154.133	497592.4937	105448.3935	217337.2005	527213.915	345469.3687	771992.495	250009.31	747436.449	899237.612	179507.9505	442993.31	343211.506	653592.0075	605341.7325	524681.612	207814.4587	252858.915	1064220.612	283385.1435	426510.7005	406417.9163	1543719.994	1420197.445	368529.949	147669.31	892506	212283.4587	387135.6663	300221.3227	742595.9467	836068.4453	862681.995	442212.495	1255495.947	536413.1063	558337.5765	1993760.209	493843.449	715660.6187	877494.7005	644331.4453	861056.768	696454.0344	915146.995	160889.9587	389747.495	296515.96	351019.7338	608536.488	658570.4163	298906.0344	1182157.666	692429.9937	482685.495	653395.9467	1920779.28	262288.7438	695543.495	431647.4937	390168.4453	430999.4825	1067760.232
C383	2'-O-Methyladenosine	281.1124	C11H15N5O4	Nucleotides and derivatives	Nucleotides and derivatives	2140-79-6	1	462160.2475	355227.4725	166525.974	145177.89	116213.7972	214112.346	145328.534	150391.2004	136866.6585	213636.8997	175209.8567	288030.7612	170545.6847	102955.007	101832.3712	761612.082	95855.355	202360.9417	123881.8924	163553.7383	92785.9464	421947.867	418457.0082	367967.8475	159562.78	155459.8932	720319.9892	178014.056	284664.3052	219266.76	228947.8263	282792.4107	168711.0636	148080.6415	107047.3893	140179.528	194197.4514	149934.6748	175795.4058	97389.929	180588.9382	487954.226	111494.8584	200825.28	138511.032	122081.625	196121.926	357072.3667	431276.4624	70882.1232	400620.0168	111001.2189	428857.084	440046.739	219209.858	204795.734	234984.351	144235.6375	639344.1317	178396.8564	216481.392	314599.8445	186177.134	181562.765	245724.1633	808995.4029	163644.7316	226287.02	181651.041	119878.654	143943.159	223604.619	255082.874	115645.978	82486.80833	109798.095	118066.674	139872.7906	152971.6593	197135.3837	319549.9325	192031.455	119758.808	274878.062	190544.0778	269678.5952	180041.411	257623.3283	274194.1975	150443.6544	114196.6196	168063.896	211547.648	464613.639	180945.1584	292643.8387	214145.255	160586.2244	174685.2016	220541.503	140482.856	184963.6337	188531.2665	178997.053	297472.162	124880.2692	185112.591	134759.8275	224605.78	167362.344	161181.6672	110674.494	169772.0254	194646.4068	290528.88	172248.2776	216622.509	264036.941	188233.2765	247998.574	178341.2365	198211.795	270820.001	213397.335	471141.664	203371.073	217680.6044	193961.5986	144066.0357	142005.444	150390.0776	205919.6406	223924.323	201342.601	212488.875	150651.2645	438683.878	167677.9275	220681.255	251153.655	133543.3734	222501.4174	277919.653	186551.4228	204442.4455	138287.3095	192212.243	167677.9275	121060.125	202860.5556	227407.5	188737.644	171871.2937	217283.1648	98235.13	180928.2178	133797.51	154654.3145	190151.794	145293.6884	138346.2005	275068.652	153816.4575	183016.4	165291.6724	133344.64	325185.7872	104428.4152	513122.556	239941.9188	279771.3397	314538.9464	104838.3262	190429.261	174859.4594	314605.389	189239.7945	306279.694	183935.0598	305775.981	215033.67	167179.7983	359790.9187	118261.7067	213790.6274	172090.1682	139802.5296	260019.795	252052.7417	102385.7257	174635.318	164452.3267	161633.39	126444.1675	158622.8744	162473.3053	286501.5076	255919.2796	104511.3468	126318.8245	194095.0106	138760.6907	292011.5383	238508.699	219171.9336	176286.4467	129616.5156	112199.21	167662.9896	104449.7443	253590.66	150364.4118	130708.1594	179338.4705	297379.6686
C384	5-Aminoimidazole ribonucleotide	295.0562	C8H14N3O7P	Nucleotides and derivatives	Nucleotides and derivatives	25635-88-5	1	6158003.235	7111609.677	5711857.672	5088297.736	5201175.672	3263299.656	4696728.16	6575328.824	3817985.195	4398985.726	4501334.942	3927082.368	5482523.936	5228058.504	5017183.984	6178050.24	3354141.561	5714707.344	2634205.872	4517988.856	4583707.819	4657392.056	3352199.498	4683791.688	5429496.128	5093551.328	5977234.462	4210583.056	4206237.88	5197474.829	4982419.816	3888107.159	4811287.104	5917529.336	4716887.264	6018670.344	3609392.864	5281829	4778832.447	3610348.392	6364460.498	6812802.578	5004910.704	4714163.224	4650894.224	5277318.328	4631016.584	4101209.528	3898714.904	5826650.288	5163718.008	6415511.632	7128534.84	5772203.312	4677481.69	5726121.736	5109688.584	4964762.824	5152181.608	7626916.984	6328144.13	5727259.672	4863167.608	3901268.711	5218576.912	3946357.216	4549747.176	5172228.023	5769456.32	6630242.088	4101701.37	3425072.6	4052657.779	4777228.388	5114423.9	4714801.048	2762356.138	3464580.636	5630810.536	6245179.952	4363289.96	6121739.99	3598437.512	4416165.653	3681168.6	4809996.28	5082802.59	4505767.52	4779970.232	5491413.376	3880012.648	6456749.86	5302819.208	4651156.36	3385188.064	4389693.216	5555460.383	5789457.176	3738337.705	7035641.343	5731840.132	5294016.245	4312894.616	3745487.352	5765895.12	3480326.669	3989398.256	4525930.804	7102253.587	3298681.976	4084701	5932933.752	4068204.424	4650475.048	4627002.4	5418590.304	5266035.173	8001120.352	4080204.824	4478862.944	5847915.92	5097803.488	4833184.239	4618778.336	3242321.528	4761910.632	4274152.848	4597937.92	3962694.208	5480369.952	5078155.368	5191258.54	4688417.12	4317536.96	5712867.56	4672847.208	4754675.92	5062589.686	4547595.643	2775618.792	6161056.326	3449686.657	5172414.4	4168261.681	3904485.52	6711948.792	5158301.336	5079098.816	5191469.392	6175544.848	5457909.496	6264713.368	3781081.072	6705379.688	4415805.344	5634015.36	3603160.792	3787093.288	4566247.248	5051868.08	4906414.326	3293273.76	3003885.606	7482708.36	5830840.84	7797398.4	5968974.432	3267972.2	5120968.096	4126046.008	5956564.966	3908309.194	5689195.592	5997771.944	5157831.424	3332640.064	4854683.824	5089891.088	6432828.312	3857474.992	5267700.232	6341070.802	3918540.6	4149616.504	5529624.832	4331781.696	6416029.864	5541391.303	6993234.825	4262812.144	3566929.248	4177059.848	6706218.04	3452089.52	3999310.929	4803237.52	6087079.384	4461360.232	5090729.44	5582891.592	4493449.544	5796032.32	5493837.832	5403104.952	4644747.92	4686625.565	3664096.648	4818262.975	5392483.008	4237111.944	4269484.646	4452042.928	5537847.688	2908597.032	4306548.424
C385	5'-Deoxy-5'-(methylthio)adenosine	297.0896	C11H15N5O3S	Nucleotides and derivatives	Nucleotides and derivatives	2457-80-9	1	5768138.805	8629600.051	5928797.949	10671994.67	16033920.29	8943772.427	8162753.321	9657022.772	7405427.358	6531283.793	6812042.22	9762605.342	7658318.463	6856690.462	9088295.053	7778963.699	7931311.342	7001292.138	9166791.828	7499599.766	11626888.23	8852355.957	7727138.06	4405075.392	9598154.898	7394879.54	8819182.253	9037808.394	11324684.54	7176268.91	12426233.67	11782962.97	9543234.05	9756306.031	7795539.975	7687782.563	10631353.66	8691338.75	8301770.97	10423785	10050601.96	6978817.887	12767551.16	12166165.45	10344597.59	7504090.571	7354763.286	7354044.873	9840677.662	9374421.706	8997785.391	16414663.24	4530616.053	13050673.37	12746610.62	10485553.7	13952284.57	12257565.12	9756508.773	13587151.97	8246527.769	11539074.96	7782501.044	11848802.39	10250224.48	13302523.4	11118599.52	12741412.53	12591560.81	10303577.48	9256283.791	8138349.027	8269930.806	6955409.984	10871903.75	13008692.12	10336124.4	10687776.25	17225875.12	12239769.98	16527116.69	19639946.85	17614475.17	20295594.47	13166679.98	15999547.64	16569257.33	15973071.81	16275936.58	15476765.61	8282661.947	16720087.18	23483832.43	18367823.82	11866989.4	18173465.33	15561162.25	15613304.75	20772693.45	11330827.58	10695681.01	18722705.15	17171184.82	16303293.04	15956333.62	10504753.21	12975801.63	13991105.23	27421365.96	10724623.6	12586003.93	20550209.98	16212717.16	20305016.65	10768312.44	18206503.09	12552237.64	9036980.703	10883777.87	19474902.62	13433627.07	8161010.698	15491546.63	14199569.35	12679623.5	10852922.88	15333506.9	20355076.55	9316024.285	9553574.5	12395449.8	6537359.098	11796743.13	11511601.25	16170376.13	14609864.05	17357637.17	13244752.45	12301906.18	10943764.33	23509880.9	16852064	14452612.53	12257866.25	13639600.82	7721648.517	13229757.93	11707409.1	8381424.951	12633833.75	16103219.04	14012662.36	7168559.661	13927488.4	14253499.26	17071979.28	13237478.08	15470924.95	7632170.262	11766981.45	7073889.957	17638148.18	10083276.79	18773408.23	14641496.18	22462105.91	18816218.21	8241848.673	8073678.963	15208008.41	14934695	14578809.53	11988461.23	22885292.03	11838132.08	12345362.5	19184977.4	12892242.43	12717488.83	12797977.46	16932984.71	10140928.14	8662564.89	10627744.82	9629450.101	19966186.15	19819345.59	10987359.58	19601249.26	7365044.617	11704253.99	7176905.28	13713393.96	15583371	16177497.86	15965914.58	11907230.47	19155346.71	9444759.281	21816248.52	16475882.57	12022436.79	16549655.34	10672429.1	16965009.57	10467295.8	12225928.57	16240609.03	14182735.9	13506598.79	9330238.837	9684505.327	11146772.63	10667217.28	11327808.35
C386	5'-Deoxyadenosine	251.1018	C10H13N5O3	Nucleotides and derivatives	Nucleotides and derivatives	4754-39-6	3	NA	100913.4126	100634.5456	550197.8301	136117.2702	NA	163568.2698	22901.346	589637.3378	58010.736	NA	174508.628	NA	122526.45	NA	251333.7084	99314.628	84824.3429	137983.95	38587.9165	76834.8126	181907.2236	108939.8466	NA	14327.292	131298.3126	135556.1804	NA	162826.4378	218897.139	88300.8126	170464.2687	90914.08036	NA	165710.7637	94615.3637	576585.8466	157572.0644	NA	70924.81564	114386.452	33385.64667	128025.7791	29273.36375	112704.2213	71831.3901	34384.584	42890.60111	85198.04556	17843.953	43062.628	172418.3378	37899.9291	61880.4027	82572.77667	NA	46243.3065	NA	60188.1082	52210.27717	181606.0527	59888.7955	177158.1312	83703.38667	62329.15667	39226.36667	62082.5779	31850.48222	NA	82510.2038	82186.79127	61770.08727	40535.8065	NA	155134.1466	NA	55006.2027	70608.72	NA	159696.5466	338995.6073	137330.1527	72000.1698	176219.7955	79917.5565	156154.2291	134941.3578	17767.584	36733.73875	NA	153181.1268	43794.42778	46704.695	145553.8065	305743.3867	107238.4148	43636.628	53982.7313	449996.5312	144224.6982	NA	25759.2615	163746.288	108711.0029	149057.6115	105518.0466	84405.3302	29932.71782	NA	390055.7258	51380.0565	130999.788	30765.47417	48402.56875	NA	49475.70444	107619.6757	NA	NA	NA	112440.4554	242429.0478	101805.452	38393.5527	398081.9466	138013.0455	81994.5126	74767.7043	277202.6477	35208.07418	95252.6466	106952.2247	88881.8637	72921.3312	249746.1302	38316.82333	145464.5488	128993.8615	183423.7312	425063.5015	61502.3257	NA	55468.49	59708.628	61268.95	NA	133006.6115	186351.3637	109239.6793	128900.3466	160280.8977	215189.0235	85954.1713	56516.8065	150997.7258	34829.83713	84861.0126	NA	NA	NA	56944.72	147797.9532	NA	81133.67127	NA	51999.52873	61820.01267	41595.1685	NA	51046.25937	NA	16046.292	53663.0565	NA	136302.2955	707517.8323	104844.1527	123002.9268	44005.21164	193039.1268	100566.1982	116637.288	84626.32333	278546.9312	108638.6567	175394.4378	NA	196178.544	90593.8429	65021.0455	73073.44291	43287.694	27387.423	139494.628	150217.2126	104031.2015	79284.2466	42068.03333	263501.5791	86499.38	NA	65947.8637	42315.16537	205068.5312	83505.81564	35110.99055	444237.2955	87268.4466	84291.1279	27347.97417	88185.00667	94524.6257	83174.1312	56259.3493	167504.3334
C387	5-Methylcytosine	125.0589	C5H7N3O	Nucleotides and derivatives	Nucleotides and derivatives	554-01-8	3	29872.7196	18101.664	31564.2288	40340.3	21387.32367	23794.444	18979.905	28815.864	20173.188	14931.3856	25151.212	29893.569	11160.467	23163.3204	16769.87025	27518.0325	15243.3696	20774.7386	18963.024	12883.17267	22457.925	33296.2545	34264.802	17613.456	27681.4128	17481.27733	24403.943	18527.10167	23054.08	25295.256	24531.81533	21150.8288	13423.864	35539.392	17613.456	19213.18	11708.2875	23923.5384	18876.35333	23017.6736	27992.5536	24974.096	26909.6415	17944.476	22039.2165	15184.61	15821.19875	22589.04617	20870.6085	20173.188	39692.961	30319.35864	25295.256	27834.45	24582.07143	17650.39714	14694.92333	20174.056	30842.7	20493.48	25940.82	32705.373	22734.656	21385.45	32989.83978	27300.36	30568.1652	21777.4314	20173.188	24015.824	17397.8175	19284.8272	23834.55	14031.006	23068.0982	19209.9915	24047.02125	17998.001	24014.956	13602.5225	26443.9636	28055.8212	17512.89929	18400.732	22466.30486	38088.57333	13966.7755	26268.82	25311.34475	19249.8504	19533.472	18347.07	18979.0475	32556.677	50991.73	25296.124	18424.90833	15031.857	17397.8175	20369.03025	31714.871	24182.5542	19981.35	20936.2482	18573.464	16168.36333	21944.796	23699.21367	18973.6864	30097.032	24015.824	20490.41283	17704.336	19216.08733	21747.55143	18663.4875	28740.35	30423.1645	18295.42867	23541.38618	25582.3045	33646.15	28304.5376	30697.5525	30061.632	27579.0738	29457.316	13150.9755	28905.6576	21078.11767	18172.93543	23613.192	21773.78	29794.1859	30420.91091	33091.13067	25147.002	26430.9634	23939.488	28343.69067	36797.3	24589.0818	18432.79333	21199.29125	22781.4517	15816.5875	22185.174	25620.23133	22094.94	26430.99957	27861.20467	24807.498	13453.11067	21908.813	NA	26294.64033	43085.41883	24267.90033	17194.688	16972.872	30065.23636	19321.84933	16966.3296	20036.8035	17012.03429	25766.85257	22250.92783	26620.612	18091.152	25043.74125	27402.2496	29090.9	19927.39467	NA	36373.48571	40965.84818	18173.831	45380.58686	27882.14218	24987.55	27335.2723	31894.749	21570.75633	38198.55	25770.06786	22039.2165	18607.0315	20041.4315	60281.325	28834.96089	39865.9596	24282.66045	NA	21462.45333	18230.5188	NA	16975.26283	11695.818	18242.9823	NA	21112.70314	13692.8115	15658.048	13656.321	13794.984	12936.09333	28242.816	37502.3472	20439.305	30141.6	13020.903	NA	33708.57017	19212.312	22373.25375
C388	6-Methylmercaptopurine	166.0313	C6H6N4S	Nucleotides and derivatives	Nucleotides and derivatives	50-66-8	3	658223.2674	635535.5971	5822193.322	3609799.674	4887703.119	5074262.032	4969824.904	307671.2441	4304137.25	4946437.445	1791740.251	5902207.054	4449780.418	5606121.389	3959359.547	1062674.974	5090850.264	2581696.43	9386411.154	6472103.711	2875149.761	6443744.442	4756511.675	1226887.378	2355244.003	5318942.459	4122079.92	6120619.649	6053312.889	7484203.049	4036280.5	4142387.006	5461681.011	1749520.067	2882803.886	3452686.125	9004655.597	7251312.878	5130706.875	6166529.25	5039527.278	2599418.335	3499754.893	3345379.351	6289645.062	6054172.233	2907912.286	1648625.418	907915.8159	5136829.8	3003881.524	5435688.428	4562774.125	929309.0657	745208.4621	6029913.906	4732984.168	4381011.617	1380192.327	763691.175	3599584.185	1112068.882	3158678.04	8669619.309	3905273.121	4211317.326	7592870.385	5194268.625	1001823.032	2670734.494	2499762.748	2331967.064	5202427.24	1844831.709	5865873.283	4290122.163	5072675.413	6613902.503	2724720.823	5156031.975	3773682.901	6852146.457	5563693.534	4793688.771	1870175.769	5442331.436	6183338.655	1598916.55	5604427.951	1840467.96	6194073.976	1482027.54	3171974.36	4010751.959	4591387.532	3519088.682	1718929.034	2890895.496	2994277.972	3223519.052	3547936.646	3523616.855	3584968.42	5425217.132	2534149.8	5825082.375	4027015.692	2010503.076	1001677.137	4387527.495	1003408.179	1276394.518	5402453.7	5126488.196	1082825.271	3216550.536	3523277.256	3539933.471	1656828.675	7848896.337	1731624.147	2909628.123	4626517.252	1329133.357	6285263.292	3116380.4	4150604.136	856248.0566	3973430.541	3219110.501	2481967.965	575035.7263	931871.5829	3058176.696	4792560.467	727223.93	2621116.96	4045639.505	2478595.39	10536403.47	1592184.79	4770974.247	1185038.968	3756608.576	3850574.509	4564402.304	3654940.285	2825757.777	552257.862	4296368.313	2246117.852	3605036.535	6279927.498	3364248.823	10159506.83	3515054.867	4241893.689	7283512.368	3459735.546	1725931.294	1820883.039	4911796.589	3504074.063	795467.3566	7592611.881	765207	3289875.79	5416533.528	5097938.871	3124678.942	1894748.764	1505252.953	4972232.895	303697.0607	2592082.36	3165001.306	4448903.411	4531992.339	1377217.611	5527842.622	2710140.331	2739133.832	2397430.205	6314064.464	3788526.616	4279014.547	375330.3366	2858834.464	3365163.187	781729.48	2493000.603	1334642.689	546746.3457	3599981.115	5136735.86	2540363.598	810351.78	5378076.456	8572759.599	4529576.064	860788.4464	1121871.805	842240.7189	4761545.276	1089067.909	3303009.039	5005055.524	1169671.664	737608.375	6157288.782	2960825.875	3640751.336	875852.7303	6379256.456	1922801.316
C389	6-O-methylguanine	165.0651	C6H7N5O	Nucleotides and derivatives	Nucleotides and derivatives	20535-83-5	3	31659.4644	25008.13	146995.96	134072.3868	115440.103	110352.1107	145917.744	15633.0825	99402.49	185718.3267	81907.3024	131831.1925	80454.33	145941.1305	69176.01333	44300.116	269570.1968	135108.8508	260872.752	168898.34	34621.466	170389.604	154814.765	47434.18625	71483.85933	192463.392	98934.486	200412.3275	175313.1123	206206.0267	60176.6712	116914.3968	135962.6272	58116.01933	97817.5975	123875.63	196694.3484	215792.3767	124028.8176	207667.0667	119478.3615	50070.58	100378.3333	93680.9544	217590.0613	101346.014	55078.33667	38810.61425	24806.36767	233591.696	56573.18717	125817.468	95957.4	31076.6575	39012.03257	157723.358	100507.638	83251.2252	25296.55275	36539.749	145015.9555	29967.0096	86354.9555	261186.7267	119280.7968	105793.6458	158676.945	91804.97133	32203.668	89129.832	67204.98667	41740.5275	145293.7808	34137.84	125379.99	124922.6253	193585.1113	219933.216	60210.3824	141168.7567	90490.20067	88161.98333	86564.03017	66155.42267	70116.67667	149194.8737	161192.3355	55897.7796	116816.8584	42067.62	259964.98	41045.2896	75943.88	63888.20533	240644.3973	54795.1075	42844.813	119100.734	100128.2304	57202.48975	90913.782	63895.8288	136687.036	122438.3305	41920.44667	128921.468	150983.4347	56493.654	39461.016	208023.7087	22784.1072	37499.544	115605.1567	111694.8507	67918.27067	59402.05667	84212.6	94477.708	44130.0616	107146.2	42997.248	74988.30733	91307.5984	30525.285	169992.3304	47622.75	55058.27067	30642.13	111768.61	59023.44	50629.03133	21351.456	25497.5248	53012.03333	67701.7044	33094.08667	50833.432	133085.89	65417.74333	378073.7733	42607.496	104817.0007	23906.2425	58601.2284	136572.7838	101806.3655	85682.2575	61633.39967	27285.013	113630.755	68097.3926	202085.664	88610.299	54794.25	269027.176	68613.19333	102144.264	124022.0652	90416.77	40654.5295	28574.95	155439.3813	104326.84	41321.14	134816.4933	33319.916	86284.7172	180720.6692	149082.472	96207.37867	60512.547	38887.9006	116922.96	15865.06133	78733.292	106227.1847	143598.665	190132.3228	48726.58	141204.8016	86260.97017	51300.795	59025.96667	238228.676	64172.29	99025.66667	29655.344	77242.452	133503.7176	41491.13014	104142.7888	109610.7672	18726.2115	79289.196	191920.7433	56923.237	20299.8008	92253.99667	292780.53	176228.5954	17026.276	58440.041	24163.2025	142227.4392	39374.8155	109400.9867	76311.744	21222.6	27065.904	114853.8533	65062.33	53350.9538	25567.10667	174306.3487	51396.0216
C390	7-Methylxanthine	166.0491	C6H6N4O2	Nucleotides and derivatives	Nucleotides and derivatives	552-62-5	3	191896.4274	94811.416	174233.5765	150844.106	164099.975	114024.0793	79193.19718	NA	117014.4438	200129.5827	188233.7712	163408.7813	NA	NA	225150.7742	139767.145	112351.236	129188.1653	98858.848	NA	NA	124321.5129	106657.1786	21519.48062	129877.4393	142436.0501	85306.7956	NA	NA	267253.768	139130.2993	126871.0108	31872.28233	17815.8105	NA	NA	170104.8997	221774.8772	82618.19957	66780.88779	NA	NA	NA	NA	61725.2604	NA	220650.0519	140757.1173	177007.4624	41236.9785	NA	NA	173733.6013	111288.807	218576.7755	71310.17143	202105.5771	NA	68993.25429	91795.842	NA	93045.67136	127240.2729	140555.132	NA	66772.85227	161781.0293	92756.5986	NA	NA	104936.2604	223116.3893	NA	NA	105259.6537	187177.0852	150338.0275	226367.853	70971.04827	NA	NA	30097.276	175441.1952	14768.118	NA	187345.3187	176657.5763	NA	NA	98723.61943	122915.52	NA	NA	269060.9666	350577.558	NA	131048.8896	190967.753	NA	295230.8147	208872.4183	125835.8756	142094.6733	75217.03171	NA	156761.1395	154618.198	32836.116	NA	69271.48214	215368.64	11701.349	NA	105401.6307	230073.0777	NA	78898.44043	220879.7166	80542.4614	NA	NA	121675.44	286130.944	NA	134658.0997	249161.131	NA	78082.16429	130082.9274	146460.522	NA	76003.2	NA	NA	142032.5106	197514.1181	214710.2427	NA	314149.8486	246838.4791	155143.6545	22807.0955	NA	94830.55	99791.63913	17349.276	NA	140475.797	208353.4877	19224.5685	182441.304	184719.2743	238640.6795	160993.7163	30961.578	115931.8272	131306.472	127658.295	129007.9456	274806.8361	253595.295	50655.9065	56371.2554	128364.369	NA	NA	86692.45357	168056.6736	143132.7857	119596.9659	94471.23012	205673.4625	75054.91508	NA	269809.2544	157338.4251	132095.7474	NA	137174.9107	14230.096	98298.57514	230501.083	NA	97820.75357	136047.5185	269601.0586	275668.6491	NA	211455.9174	70285.0395	324516.7847	NA	239528.7076	NA	125601.1008	257905.4686	NA	241574.571	NA	126585.368	NA	201142.6327	243890.7379	NA	NA	NA	55500.79107	NA	NA	NA	54751.816	NA	118820.5216	NA	NA
C391	8-Azaguanine	152.0447	C4H4N6O	Nucleotides and derivatives	Nucleotides and derivatives	134-58-7	2	192981.1903	198075.2688	42275.794	33369.65314	51655.76689	119890.76	93313.12057	107478.586	93763.37971	172904.4497	149083.5914	156957.867	96528.8168	40027.79086	32487.768	626964.692	50748.859	126998.2714	34454.41729	53516.63286	36868.22229	282963.8313	190679.896	213970.02	105429.648	79500.05729	216425.232	32598.224	92479.98925	57632.43514	114222.5954	74414.014	49039.968	143315.7919	26528.16	53067.19686	27550.867	79163.03786	39157.3648	NA	75313.553	331921.6316	50641.20286	72553.144	67896.66986	31040.47143	43775.8336	465289.2771	376557.42	62881.64	174028.8629	39201.74057	107810.8571	198346.3486	83194.22543	138844.552	137821.4183	79149.30143	289868.1973	125667.985	64176.50571	344524.917	116471.4217	61385.87857	123913.2992	474077.4724	175608.488	45747.36375	99690.99933	34632.08943	58400.304	63931.73871	63110.9904	51942.78371	NA	23518.82429	41600.81686	NA	33169.8016	18441.46571	47765.89537	NA	NA	28335.86971	43849.64314	NA	48327.552	38460.61543	47741.49325	84563.65971	47741.49325	38677.83657	30109.3	67199.68929	23839.04029	63587.024	45666.32675	36885.66986	46097.64629	52850.82643	24962.63029	42162.4094	25441.48286	25563.0795	48300.92443	25569.1968	75101.908	33057.41714	58811.29925	59843.8575	75088.051	40694.881	27641.7824	38508.63714	55991.00029	71401.3328	24194.6158	46520.73333	37785.1634	30108.44571	42708.30571	38004.50571	33507.67629	32441.5	NA	68592.87257	74396.3792	42151.568	65087.616	12791.76343	37631.22167	193139.7706	25108.8096	32141.0564	34328.9102	33547.55914	120130.8689	NA	NA	23184.192	54715.42312	39966.49543	108511.3714	18435.0372	NA	74215.09071	14975.232	40883.744	176114.526	23609.401	38466.784	41595.71911	33512.66829	137678.3943	28838.15867	33631.032	37575.16267	27773.68286	96529.6602	36436.15586	120388.8733	42787.8942	27219.46425	55531.925	29020.09314	36625.2352	37574.90286	41994.336	178017.8919	38928.8576	63645.74871	104309.9943	37824.03643	38229.22371	65859.375	226416.1437	24301.536	85559.2752	50406.1025	31336.64567	36648.19	22345.6432	113806.7092	39618.5952	187004.2044	30102.55671	50000.09	319619.542	46900.13014	198663.2423	56281.704	60432.31543	102181.0993	35790.48911	NA	29812.002	35020.4982	NA	17880.7992	30397.47814	122389.1344	130433.0508	187456.335	43642.04	92642.6952	105491.56	39135.70971	83544.01714	146602.8214	23497.4544	68440.4244	69065.139	67563.765	101856.5203	185152.0658
C392	Adenine	135.0545	C5H5N5	Nucleotides and derivatives	Nucleotides and derivatives	73-24-5	1	19975348.97	25394189.09	7743242.297	7252656.538	4545193.219	15862007.27	7353770.898	11258063.38	10930046.17	15237490.06	21588993.5	10406957.99	15176168.08	6382007.895	11195375.55	23246702.49	5361265.318	13753302.03	7305361.445	11500894.95	5500778.808	12756372.74	11718957.53	16695004.34	6617422.013	6166500.679	20295448.84	12639572.49	10252900.46	9629690.041	17263173.33	15179187.44	11757154.73	10775933.02	5009687.492	11954914.41	8087361.756	9417038.034	13797829.27	7891889.998	9907983.009	20606508.27	4959797.221	10881813.23	13585752.3	8201430.935	9021657.217	21366662.72	13901762.72	11488088.54	9882469.061	6252636.278	23606109.4	18944605.8	13280425.56	11706843.24	14518547.89	14262620.17	24547947.53	8747786.16	8955872.231	17830837.77	21285341.96	11128135.56	13357870.44	15991219.29	15122921.93	11252281.85	8847492.617	7502479.474	12833187.94	11896108.24	15333001.6	8882127.394	7435344.834	3008824.181	11249705.72	8148717.425	7679537.229	7752940.272	15483424.68	7053229.246	7000862.213	5021528.108	5637146.292	14706798.75	12691167.85	12579190.16	10177773.33	13875544.19	8789172.146	16467976.39	11396628.9	17630083.59	8640366.857	8889044.785	10295878.33	11568333.41	14920709.15	11776919.26	12638488.31	11772359.17	15576370.71	8711179.947	9837938.993	9149565.216	11727640.31	7699525.196	9012627.673	8731716.912	14674574.05	7258875.881	10252581.11	6457992.141	16503881.09	11057678.12	12295682.87	15442789.61	13336846.74	13186982.58	9932943.695	8372543.457	6840706.454	8694262.524	9891652.392	10354359.57	18685419.28	7729620.798	13901696.27	9065299.08	7629231.995	15197618.76	7725129.707	11431626.18	10335146.65	12552389.37	8544034.04	13802295.63	12521053.12	12958019.96	7838995.033	6515837.966	13242687.63	10199396.01	8156377.342	15884962.42	8723739.108	10846615.12	13666042.17	10556197.43	10605163.96	13887622.55	14500450.46	16062613.38	10238856.4	7997670.912	15202416.49	11893005.39	13335817.69	4798732.191	11383623.9	10031819.72	9937418.442	15501413.62	5699145.06	11713058.78	8180435.56	5824890.799	16687948.82	7884745.448	15519436.21	12531001.89	11776392.97	13754796.6	12643427.25	13658073.14	9046446.64	13311546.43	9340440.662	7311782.581	9343279.04	7248910.004	18108646.16	10648814.6	19448743.3	13855633.48	13738424.94	15065869.5	7312616.201	17379191.66	16025504.47	15869855.74	12381371.97	7398432.767	10648317.3	17931608.22	18066723.53	13558288.76	5753391.843	7270149.057	10726881.76	13097226.51	14060179.8	11960634.53	11975371.12	12134124.88	8336416.551	9009907.928	11585890.69	13131118.09	17118497.81	9901265.027	14342441.58	7764616.132	20448783.86
C393	Adenosine*	267.0968	C10H13N5O4	Nucleotides and derivatives	Nucleotides and derivatives	58-61-7	1	13775622.33	1055902.416	898885.197	1085339.805	1365756.928	35153237.1	1446772.349	942022.3785	1347440.29	809680.984	738835.5062	1405973.782	871773.449	32315084.43	1601318.909	753305.7626	828499.8531	798327.411	2298656.34	1320774.239	1409912.574	16574905.02	809506.0583	955474.6446	27398712.06	26904518.56	26273552.09	1191162.24	2519640.564	1136852.2	1281481.504	28201396.37	1507408.441	1572496.88	2566130.91	1393010.743	2105646.28	1456651.072	1211700.251	1079578.133	1898630.949	1076263.731	2265188.988	2249900.4	1000239.797	1133558.672	16579500.23	1147620.201	25449110.59	1897791.696	986414.88	1142066.975	915714.7475	825194.9388	1081766.152	29235708.82	1062788.143	1529531.973	1311603.529	38287802.07	32678730.3	1234720.389	1201156.336	957095.5886	1117741.426	1653757.157	1385530.84	1250097.816	26564348.37	1574496.463	1364598.088	1262828.16	1136350.666	947479.6975	2046014.585	16604925.65	810510.6686	868443.264	2633866.252	1456164.351	1698307.2	1113805.111	2473813.595	4370749.714	2128501.217	1836291.416	1218713.304	1372210.121	1579299.747	1777100.928	1194784.758	1686884.171	2179015.488	1410090.6	1188208	2015933.126	1770237.928	1985607.771	2597806.239	942954.912	1023240.838	1735468.812	1180569.618	1559795.657	2054976.819	1111140.53	1128434.196	1018896.55	15901834.45	1834467.08	979883.6053	1343868.834	1723305.629	2654908.478	1041499.959	1849351.388	1347639.15	3320751.312	18379324.88	1065612.219	1535877.338	2138242.096	1976613.914	1341472.073	1702703.043	884706.071	1685554.312	1793524.582	1227281.037	1629039.538	1874638.728	984911.7875	22514828.71	1548437.078	3747229.461	1369792.913	2541444.575	17030160.41	1537601.304	3011641.916	2945121.848	3622902.331	3050413.288	2292767.277	16103295.97	1719106.267	18345674.06	4001399.545	1842589.849	2897469.277	2768786.672	1675563.951	1165313.143	21187928.54	2296673.28	34350505.78	1280381.101	1546971.765	2056393.096	1629339.696	1743764.313	2286914.752	626981.88	2070493.425	22588783.82	2668569.621	33440662.76	1578090.978	1654017.166	26876029.54	1296146.815	2418140.13	3109703.488	1923399.557	2809516.563	1913618.105	2722851.044	1255554.807	1348419.144	2990124.026	3979998.123	1739503.543	1489398.834	4124393.568	29544616.59	2984156.291	1241500.886	1798519.918	41060744.87	1468529.661	1552529.914	1750456.887	2217964.92	1370456.308	1617182.555	1128074.952	1288246.166	2214505.768	2479407.871	1301956.689	1447802.331	3870926.526	18863958.9	25615297.89	1719891.915	1140294.482	4246147.519	1616661.064	1773286.728	1179952.152	1317786.135	2178448.395	1037456.032	11575365.79	1042117.37
C393	Adenosine 5'-diphosphate	427.0294	C10H15N5O10P2	Nucleotides and derivatives	Nucleotides and derivatives	58-64-0	3	52533.2115	54489.095	NA	91068.64	112822.5352	45286.857	70186.73433	52081.432	43499.839	28078.974	34986.528	70193.277	NA	34418.8845	31349.133	58001.814	83432.376	63462.31875	35507.10133	28985.418	174808.3698	NA	72483.996	NA	91800.436	64122.49844	46805.476	82229.21467	73093.412	62688.248	56222.829	35330.504	NA	NA	133139.16	NA	114634.2862	32608.0755	46605.006	NA	45309.68	NA	88879.49	39853.3905	40344.9025	74454.4695	25826.32	54958.515	75857.386	65754.77	27519.534	79245.6795	58872.0825	82262.18	62237.7	47383.875	34729.968	NA	49952.448	62251.74	30448.236	43060.8965	NA	34418.8845	NA	66603.68	NA	90364.368	159982.7026	57542.16	41280.288	34080.025	53466.05967	NA	89215.9125	184800.936	38060.88	104089.59	91420.1673	126800.289	110750.72	52678.97	77051.667	79250.4405	108246.208	80035.795	110949.993	158929.666	99343.4535	61369.308	35476.5236	NA	70691.4	79151.73	78015.25943	74834.088	61462.68825	NA	42998.655	35442.183	64826.44933	89870.225	45301.0885	59778.5265	NA	70239.7605	95493.6954	48005.091	109204.2	NA	36230.733	76112.93333	46238.685	137333.5275	55842.11	55661.424	59325.3045	128611.098	41231.84	NA	96625.216	95617.45643	74270.196	74722.3785	56733.9825	72237.543	NA	87508.43571	49943.835	72047.36	48027.2	60892.34333	58039.8	76544.1105	91156.359	85437.15171	92382.444	NA	67337.8755	NA	92836.7055	80927.9625	109139.184	NA	43929.27	39043.18	NA	NA	136463.5136	72483.996	166206.304	139856.166	48223.0485	22360.884	59613.854	77891.22	96693.824	55729.44	55518.204	NA	81966.654	52079.9895	36229.6935	NA	61144.512	70116.57333	34917.061	63252.563	63384.823	64967.1225	119548.5852	65124.866	NA	40758.795	55250.4645	NA	NA	115591.839	116526.5475	83819.84	51665.856	69322.24	NA	49786.62	22645.5075	38699.283	41664.1995	66063.3054	255407.229	NA	49525.91	51237.8195	37801.268	141869.709	70025.725	48687.59025	50825.38767	136694.25	47776.716	124141.68	44075.094	43929.27	32233.088	141171.391	86411.95675	45740.079	45740.079	35207.028	52533.2115	95075.4427	28971.476	NA	52926.595	47896.58333	NA
C394	Adenosine 5'-monophosphate	347.0631	C10H14N5O7P	Nucleotides and derivatives	Nucleotides and derivatives	61-19-8	3	711937.8986	733429.5108	614390.68	833234.4425	906617.36	364419.2767	691305.6585	1037899.094	224892.1628	363675.7343	556771.29	594437.36	360758.0523	361489.22	444663.885	467739.963	665716.48	669021.709	1000027.376	575107.1198	537436.8004	341976.8002	383442.4894	656446.6926	771684.32	590041.4743	681310.08	761722.9332	885162.57	554366.5875	419100.88	385049.28	472627.125	778049.36	1025129.994	759632.3514	766804.075	458001.1071	496062.056	641942.9321	653208.3063	489017.8229	709722.9176	1274589.258	374374.8287	503720.2556	839639.785	346313.715	807270.845	1059351.92	1020775.001	1129634.23	558751.2025	802697.9886	1510806.733	560466.2404	824621.67	601576.265	578647.0225	1066149.04	686979.036	811315.0975	569378.3861	640033.941	622736.0596	534400.055	563916.6343	862693.92	978349.9913	1302825.303	646942.56	459548.1494	354409.68	734094.7725	693842.1994	1036130.799	692449.12	787747.9629	1140967.851	936753.1325	1044545.552	654366.9025	721282.2225	1259953.505	1609654.997	650719.4305	696589.396	693152.0829	474444.189	885836.7675	608657.67	1118224.336	835480.7253	831547.55	1380797.44	955843.0835	1428005.323	1421228.49	1288063.182	765907.9104	811779.76	810977.5325	462648.685	1002709.84	664542.6583	458603.5	1130349.818	1263200.4	1759120.22	1455499.76	925416.4743	971524.4	504056.843	878929.9203	600888.6214	683865.6629	680479.7525	1274942.914	1212930.187	419768.2782	1538200.574	1587026.135	1447938.189	819910.329	503591.4567	929650.5139	674411.0425	893502.6586	729147.4774	973761.704	1198337.714	756408.4	721748.5594	675513.3442	1129970.862	961796.51	1470557.736	1257792.367	1224577.66	724055.0741	1081462.395	1028312.526	563737.652	726676.735	874719.839	540734.718	806711.9359	997058.5156	881468.72	841055.6	1202805.64	963705.1905	653255.316	650719.4305	1366952.4	757598.5091	697221.36	578231.0038	569279.8957	1396805.022	607901.9734	1107401.68	694886.0343	1325968.375	1400024.421	1645289.437	1027461.137	1051262.307	679440.489	1393692.216	980125.5043	925749.6885	731782.387	1013650.73	692259.0364	1020774.105	1301007.361	511005.222	1290474.546	1581328.32	2029928.172	859175.4057	623157.1125	1309969.472	450602.24	797720.4701	1643278.747	620497.5599	1353142.357	986444.2402	1063199.115	992053.18	1353612.36	710528.46	591459.5725	760863.84	835666.4957	1033501.996	816689.604	448931.1337	856965.12	1108595.74	813426.3508	697920.9149	1007221.486	677200.4629	1231382.007	1125133.985	2332522.237	765015.5522	453051.6766	1402900.767	683178.4075	1060624.4	670703.4225
C396	"Barbituric acid;Malonylurea;2,4,6-Pyrimidinetrione"	128.0222	C4H4N2O3	Nucleotides and derivatives	Nucleotides and derivatives	67-52-7	3	1689067.965	1851476.212	1026338.017	998959.266	1361769.207	779808.269	1450658.988	1672754.999	1142983.017	874534.266	1335531.195	1268194.313	1029183.017	1323886.266	900634.2693	1430328.018	827899.2675	1329993.402	623770.5175	817654.266	922495.5175	513346.266	487921.7675	586785.5175	1175700.517	1088216.768	1488996.185	853243.0775	1087834.266	440979.2675	723348.3625	1145116.767	719330.769	1109554.267	2135146.042	1049996.614	485617.266	730003.269	951322.266	827188.0175	790636.266	1094233.266	940988.0175	846394.6125	678298.266	721214.6125	1130183.362	963750.8625	1721943.363	766731.7675	801583.0175	1400455.517	757558.6107	1797651.739	1390500.863	827899.2675	1797829.582	1407570.862	1453090.862	705003.112	1253940.862	1284750.364	1874149.44	727227.6107	665256.769	994331.7675	440979.2675	1069915.114	1937422.24	1490787.112	1314697.302	1082857.266	681008.944	522773.0175	598127.829	575503.656	439402.266	775539.269	1311408.44	1079681.767	1765329.612	1249231.266	689919.6125	1250036.1	1550367.102	1120540.266	1290046.329	2340665.427	1479866.58	845383.266	1094944.266	1460492.13	1507886.985	572359.266	548378.0175	1494615.06	1232878.266	2121594.654	1508833.489	1152940.517	986872.266	1017803.017	1244913.364	639193.266	725734.269	873422.1125	1311522.24	726901.7675	563416.1138	734014.2675	1349956.767	1753025.958	947010.769	869151.7675	847516.266	1146539.267	905107.266	560469.2675	939946.266	734017.1125	1528473.405	705564.2675	655546.266	2139524.136	407550.5175	722634.2675	814385.5175	1361979.737	1334069.615	647241.7675	1181393.363	1554133.662	1379938.8	859194.2675	816522.1125	2294421.974	1069724.267	802294.2675	701296.7675	453070.5175	1061903.362	566159.2675	1155280.114	977436.3638	706931.1262	795893.0175	816522.1125	1069348.266	1370826.739	949900.266	1348774.114	1330044.613	529700.5896	1032030.863	343417.266	1075414.267	1024387.114	448803.0175	987222.1125	805139.2675	756198.7388	669997.3896	689674.266	1641689.884	752924.9884	2178765.012	799452.1125	924794.6138	501305.112	730458.0175	816519.2675	1042171.489	1311782.614	822209.2675	679248.0175	1060667.239	737570.5175	362033.3625	993623.3625	642263.0175	1748242.542	855638.0175	1090424.603	736615.7773	1427313.79	1171641.739	1698686.91	1739724.612	440824.266	1997979.779	1392343.111	1073283.362	1148972.944	1742442.289	1517504.59	1346240.288	2054067.588	465873.0175	979398.3625	649858.266	1244586.112	1110268.363	2377186.693	1636890.665	1900176.996	874549.6107	1502431.114	1172858.362	2716423.07	940988.0175	1572621.19	1050520.517	655068.3625	1067832.988	1106000.862
C397	Crotonoside; 2-Hydroxyadenosine	283.0917	C10H13N5O5	Nucleotides and derivatives	Nucleotides and derivatives	1818-71-9	3	1499534.065	1008485.603	296946.936	268859.6125	557624.2675	741259.8638	334885.266	645935.6137	476541.7675	1454513.362	1396546.487	1465914.7	782379.2675	233338.1137	421067.1125	3380289.595	286638.0175	837856.7675	506414.2675	473530.266	201999.2675	539940.7388	711254.2675	457340.8625	1946185.589	956154.444	1668332.849	571755.0488	913639.266	571138.0175	943877.6107	993214.112	705888.28	513237.1896	303103.269	487921.7675	526855.266	369210.7387	608232.7388	438360.944	1671014.295	1151139.444	1197752.112	1727155.402	412532.1125	314870.444	549089.2675	1052924.777	1135251.777	333001.4453	461107.25	770925.1896	1468170.611	2273338.502	799557.1896	647807.5896	1192531.39	509133.2773	2207917.703	1830909.03	757558.6107	1524163.784	1195913.777	487468.2773	2161098.537	1042092.277	509368.28	862547.5896	1584439.444	453526.444	610958.7773	678120.2773	424639.7773	324258.6107	327565.329	201954.3275	272921.776	519751.9908	759178.112	379865.444	2161914.242	468091.8638	341407.1125	596985.7896	992262.7773	1342847.112	1298834.844	844940.7773	558962.7773	1260120.611	1210554.612	559758.0175	432444.2675	515663.3625	320642.1884	1197962.614	405274.266	658260.2412	918392.2388	769003.4888	376834.266	610970.8625	608834.2675	375412.266	678999.112	518508.3625	656488.0175	442073.7787	531404.2388	287352.1125	1368930.072	796555.6107	719207.2387	759044.2387	997809.776	804428.0175	561183.3625	518175.3884	516235.776	445958.0175	714813.3625	442404.6125	599133.1896	967477.1137	625193.0175	1153878.19	843697.8637	883376.7675	545533.0175	357478.2773	558335.5175	961074.7387	634068.1107	706989.6125	461608.3625	594400.266	1559518.888	341467.1138	443827.1125	484365.5175	519930.8625	800161.1884	671775.7787	528463.0175	578481.792	623383.2884	352075.8625	410962.266	384198.444	557518.444	793190.2388	513881.1884	494626.3896	899024.2675	372224.5896	573985.8625	440979.2675	384287.112	958060.8625	618459.7896	661510.444	1135983.19	382031.944	969153.444	447583.4937	715672.944	850662.1125	553907.6107	733703.5896	518521.444	978767.4453	893532.112	405867.1896	546803.3884	729394.1107	942650.7787	866382.25	710797.9896	1357679.111	627568.6107	1091921.777	358882.25	1817182.582	329946.2884	1323360.376	942650.7787	1009594.777	1087337.776	907642.9896	2249427.665	583632.25	533205.0884	682786.3884	490978.7884	746898.4453	747482.25	1077004.779	364350.7896	186324.7773	291038.944	846799.9896	761169.444	1452163.888	879085.4453	823749.2513	459303.7773	977791.3896	1514738.779	2684418.932	1035592.777	1666707.226	664270.9896	1004135.688	386486.5884	2047479.712
C398	Cytarabine	243.0855	C9H13N3O5	Nucleotides and derivatives	Nucleotides and derivatives	147-94-4	1	2519112.024	1418722.642	813348.54	689810.4267	594929.1093	1222184.816	675425.2033	735915.2033	957865.634	1095069.757	2051517.366	1890446.215	852613.965	487470.0563	618878.45	2419594.016	352752.2093	1115533.974	695126.4912	706336.47	425627.213	1649714.84	2313673.243	1725133.508	1023559.163	792722.6242	2487622.618	1112248.917	2029687.902	1092688.73	1323565.331	1574901.978	1056645.8	653623.344	407614.34	643507.5233	994223.2833	727640.3467	849011.34	657514.8233	961414.4475	1863509.293	609618.22	1488727.28	876262.3503	670697.34	705178.3933	2159817.367	2814181.502	619610.635	1392394.78	793343.6903	2784003.211	2645118.117	857398.248	1050460.692	1140817.73	771284.6277	2807755.842	1221617.992	733550.8333	1557709.86	1050925.418	1037459.64	1220089.437	1868864.085	1005977.584	953021.2125	1013926.571	347763.1467	700782.2553	880201.4687	812055.1597	455146.0467	440959.8267	370027.85	635202.493	915146.04	674020.228	607844.7233	2167890.183	749313.3	557995.7033	652181.0575	930047.4216	1409492.781	1315303.317	1132336.062	829111.0067	1142332.607	1038358.19	888267.9575	661634.36	1237771.759	737386.832	888900.7116	559949.8337	717338.0405	927668.0637	1086700.22	795566.205	1078607.71	827482.12	855713.7593	794088.6096	539106.6295	1028954.553	769562.9012	926485.89	810406.1	1256876.557	656422.0425	937785.6025	1164396.557	1344306.18	1251442.804	932158.79	1441097.35	789013.19	948708.5033	863393.9333	948334.1604	1074823.942	724121.9568	1513055.399	1401166.362	1075900.723	722714.3567	1013151.685	678969.3575	836426.6064	1453811.503	866104.155	928218.1733	903194.6	771972.5033	975879.4933	664393.23	875413.0333	1426358.806	738982.216	938657.2953	1169070.943	856301.7	1033769.504	822162.425	633808.9597	811993.8607	715330.8327	964198.725	892413.1737	712307.7953	723304.3533	886700.3567	859431.6	759102.382	800238.712	840505.9265	724302.206	712710.4792	675426.08	937490.7288	855310.3152	1190752.094	737237.6082	875019.41	979709.347	644803.92	1914825.139	881780.4885	1357124.076	1125150.82	655975.7283	963638.7024	596189.7223	1660528.214	1017505.738	1368180.663	1055492.673	1069619.775	1066601.435	595518.6996	2119581.723	712074.2533	1318216.844	1054809.973	801642.27	1265066.82	1099692.269	1159804.686	883932.1524	637633.6582	823694.4054	499114.6776	604637.6645	1013692.51	1331817.097	964633.45	411259.266	418675.0943	900365.5872	745551.8388	1765409.034	949995.3645	825705.468	685672.56	952587.1933	633085.3584	841204.84	929989.9167	1405184.782	947708.0967	762351.7613	703867.276	1655808.164
C399	Cytidine	243.0855	C9H13N3O5	Nucleotides and derivatives	Nucleotides and derivatives	65-46-3	1	953899.8705	467042.78	150402.3705	163391.119	144562.78	356427.3705	208352.778	249507.78	359861.1205	402293.119	517777.78	561561.119	338918.778	162763.8705	221057.119	920600.619	64637.78	387533.778	150817.78	222242.778	120141.619	431969.8705	589362.78	429066.619	307192.78	199089.119	808982.78	280198.182	570641.4347	317282.6205	442399.278	521252.78	317332.104	253414.8705	151775.8705	191822.78	245860.6205	213583.3705	346812.8705	155896.3705	338224.278	716023.619	161331.619	480942.78	276663.619	185434.278	216938.119	607750.268	971401.619	140050.119	364178.936	254101.6205	995879.6027	1232885.604	282239.936	393372.78	423728.8705	296168.0216	958707.1205	229187.778	323482.6013	517551.936	444856.119	331583.619	373732.122	742358.936	281539.6027	307451.936	399100.6013	121627.78	242383.278	318778.278	357232.78	90352.78	120931.1573	96887.182	191684.778	220476.282	204880.278	196546.278	685817.619	235559.3705	155442.6013	225258.1205	229882.278	562247.619	375511.1573	353809.122	264607.278	323345.619	282155.619	320397.78	259128.936	329890.278	196343.119	236827.278	206715.8705	240366.6205	321403.1205	383210.6205	219684.119	289707.119	386644.3705	232660.278	272442.78	217711.2863	373217.78	201552.78	240366.6205	255427.2204	419455.619	244466.778	374072.604	325405.119	438232.278	411146.778	330897.119	394478.778	235559.3705	257441.619	336389.119	228691.8705	291692.778	315305.778	456006.1205	341318.8705	367657.78	207112.78	313447.78	219464.778	271858.119	550741.278	269633.936	318656.1205	257152.78	328957.3705	371560.278	249324.2693	279409.619	409000.2693	220159.278	325405.119	453837.78	316595.8705	279302.8	257152.78	213214.278	280580.778	245860.6205	379894.278	342005.6205	245337.78	222511.1205	439114.6027	280138.936	274536.2693	240219.936	242557.78	264306.619	206269.278	201221.8705	291207.78	280138.936	385957.6205	215708.2693	283358.778	352865.119	179245.8705	493452.78	243025.119	504765.3705	390209.2216	168257.8705	242383.278	183482.78	479355.6205	321458.6027	326897.1205	382384.619	348771.6027	423606.4347	204185.778	829296.119	223803.119	423707.2693	299547.78	275290.619	420981.8705	NA	441215.6027	266832.6027	211921.8204	223803.119	177189.936	239092.91	357175.6027	523030.1013	247743.8216	130439.119	164583.936	317617.78	222511.1205	637076.119	357875.936	437013.6027	219684.119	296767.78	259501.119	424947.619	293246.3705	490851.619	264797.78	220370.619	201835.119	697537.6027
C400	Cytosine	111.0433	C4H5N3O	Nucleotides and derivatives	Nucleotides and derivatives	71-30-7	2	213241.0898	129379.6372	59295.712	392834.3273	129629.3024	124927.7406	137069.2822	159082.6243	129669.1842	168641.4013	177956.622	217924.487	121891.4312	111329.7395	NA	321513.0949	112375.9617	149105.6364	80070.94725	86951.225	109850.0737	223993.8672	192489.6225	268226.9947	126053.1283	114112.366	307831.3116	79703.528	175552.5615	156690.6294	406409.1393	150319.4983	105972.7725	NA	158432.7766	69744.18825	122358.0427	203889.7175	142287.575	78182.34914	158162.36	161580.676	87177.12525	117353.025	110626.336	116979.2771	209833.2364	262993.56	255441.0179	68585.16333	190616.055	83825.169	231181.3107	383669.9794	375271.7517	182228.2131	122570.7736	178326.4	228505.4229	184359.4182	128871.5953	375743.3632	197020.3214	169838.9352	148560.3862	209698.8348	1524815.182	70414.5795	152597.037	192408.7851	298977.9027	121424.422	110176.8597	65940.3584	115137.3004	91292.85222	85167.33375	111226.536	61026.3375	126940.1258	205255.008	132082.8709	135861.6282	230801.7606	129425.2714	132767.2536	155415.725	151958.9519	NA	209612.65	249532.4239	147508.8967	122592.7448	371958.145	NA	226957.1374	96188.498	119883.348	119035.5467	201547.3103	61876.216	163983.6562	150423.8138	115966.8851	139325.1517	135723.0462	133446.5617	169795.2532	114777.0551	306118.0716	180280.3363	242594.6338	158674.8093	253986.105	124035.882	124706.772	117568.0534	266884.578	126201.5087	380546.6088	98576.541	128753.823	118023.4162	102600.2707	197130.8464	254827.0028	81127.546	91772.98667	141304.7812	220590.8705	87848.89875	158926.9583	162591.7688	173913.3849	637038.7822	142218.4	173555.774	325144.7338	151551.2722	172933.965	79131.048	177656.2182	188381.713	179853.1582	131030.12	472512.3025	162039.3708	87161.358	399074.49	248593.8	195742.3941	238291.7064	79116.736	108159.8192	121950.2114	135657.6213	122570.7736	173605.1813	101241.174	231203.6931	312554.214	121538.744	169638.9432	169865.9794	128751.0585	231612.6316	176280.4966	87625.02857	252186.1947	525826.1663	390543.3875	397728.6926	99918.70575	94158.67633	NA	187547.702	103270.662	780404.0213	182764.5304	245361.1636	223934.9875	NA	202596.2848	166301.262	109633.7924	213867.5887	195772.738	185663.6494	147527.5425	247354.0529	270289.2264	60614.33	151295.2088	115340.469	141685.635	145431.314	109954.684	74067.25333	105149.4786	226069.4304	161609.9055	160081.0984	212309.2536	101399.546	171900.144	606138.3806	195935.6923	147686.4672	240426.9855	113910.3143	141836.562	115463.7553	106895.5746	121079.7024	132533.583
C401	Guanine	151.0494	C5H5N5O	Nucleotides and derivatives	Nucleotides and derivatives	73-40-5	1	2603202	2978363.362	653664.0981	477018.6533	458351.4337	1480963.132	1327620.883	1858195.521	1228670.827	2632043.8	2044213.92	2187862.122	1066440.11	625029.1944	410617.9181	9050397.933	595807.0813	1820957.221	492056.4646	706276.8448	475631.2	4467251.664	2878186.881	2608272.384	1377956.99	924095.309	2791663.746	440738.8406	1143678.36	853484.4084	1332998.145	842214.7451	768294.6507	2190821.61	310820.785	686991.252	290788.96	1212011.652	602002.72	379761.0338	1014205.487	4956428.454	610073.7089	922202.9967	922705.7713	335160.4013	482614.7835	6799888.661	5182615.531	890449.5793	2347512.469	506795.2027	1605241.812	2894310.32	1107735.36	2046399.539	1597708.009	1109416.96	4262710.853	1607638.595	702067.7914	4887699.848	1368910.007	844034.7617	1875529.92	7153827.555	2757185.239	553118.83	1508037.973	447303.6817	767847.0635	718630.88	748284.9154	969057.814	237156.0969	347574.1688	621577.374	181732.6106	509681.0551	210627.275	595121.472	254337.9384	236517.435	452028.6	478322.285	419735.133	534436.395	346489.3133	643962.0783	634696.48	641792.9817	436705.1975	470383.7282	805390.96	459462.952	722131.1817	511225.0069	490761.7269	634485.2202	454569.28	304933.2	511152.4	296652.5564	275386.32	601700.5738	357757.9464	903260.5422	467714.784	670846.88	798686.192	844130.4098	540600.3031	260960.583	513668.32	760638.924	1010353.52	337495.1167	534116.451	474704.0458	342390.6281	544082.0367	400184.4	474042.1369	450168.4	237877.36	821651.18	895425.093	593912.7506	810974.7305	176587.75	476149.715	2638921.65	342971.2	392381.7281	539521.9057	449876.2462	980164.119	378180	467465.5133	301202.2567	659307.642	356180.6325	1384208.425	255303.1395	220533.183	954973.7706	335902.1544	507789.1767	2214874.419	279266.8047	556498.6369	505165.43	471678.4415	1839820.192	362149.04	396624.4533	474470.7786	408060.9706	1066459.784	421245.8667	1467533.834	583490.4326	317954.1433	615205.36	400514.4196	487576.32	407159.907	451796.5037	2173655.109	517156.934	1007013.44	1338476.787	504494.959	568587.2717	1050690.082	3141438.08	268321.9467	952781.7198	660473.44	381492.5033	399792.0231	234512.52	1341055.76	458722.0301	2570879.63	359632.24	710968.5768	4732157.903	486948	2434715.265	695144.25	1007996.45	1209593.739	439492.3524	398891.9423	418246.2109	431429.0102	223487.78	265308.4706	416845.9069	1462156.404	1572982.36	2502420.812	483222.9693	1212563.531	1388146.698	556799.6467	1102254.005	1798827.514	344025.6197	767996.0116	907295.8514	996208.4	1645999.735	2909747.8
C402	Guanosine	283.0917	C10H13N5O5	Nucleotides and derivatives	Nucleotides and derivatives	118-00-3	1	17724478.22	14259490.49	6319487.881	7133452.769	9224745.452	10934024.01	4633183.603	6272158.393	5834256.331	18850954.92	21051200.94	22566619.6	8802475.106	4493979.334	5549535.104	29328722.58	4939933.326	9619777.162	10861310.39	6395551.917	4145972.525	11062450.26	19184026.49	7250265.305	21658984.22	13697245.22	19684868.48	8816630.728	14022257.82	9631989.553	12337181.87	11060963.04	9119377.548	6452793.751	3978422.772	6569443.527	9410841.915	6410050.961	9308905.337	5638069.867	22250144.54	13561518.47	16139453.68	19259764.36	7192326.039	4823964.378	5705062.729	10422050.6	9675341.523	5536482.156	6687627.459	8511643.709	15855533.93	16688926.79	8180826.802	9201794.435	12588035.69	6084514.506	20478440.92	29268664.67	9428030.556	23584207.5	11063129.94	8053118.382	30017561.33	15210835.97	9641601.211	10234617.6	14151323.28	5280045.25	6674842.101	6372336.696	7355627.739	4219929.345	5502417.184	3219294.294	5239192.475	6334726.056	7810586.443	4789384.001	21339137.65	5726787.061	4807125.4	7823596.652	11357317.95	15996579.3	15398243.28	7940606.828	8307643.715	18391428.69	17220902.43	7511928.815	6452112.153	10724957.61	6812555.412	11560796.4	5249409.52	6407018.191	11294222.92	9979014.904	7342643.385	9494261.418	7967893.063	6272586.478	10389912.7	6157758.44	8041362.476	6200692.601	6769050.783	5493877.407	14394496.55	7265506.813	7903527.573	12485040.18	10559276.36	11853275.75	7138438.579	9426749.553	6154892.939	6429561.115	7400705.248	7626106.212	8287545.685	9402850.713	9934476.409	13700395.13	10477364.2	10514076.22	6087122.042	5235517.606	6936631.719	8199705.659	5647737.577	9051712.695	6138981.54	6893952.818	20033423.69	5748330.471	6511394.043	9967008.729	7930242.393	11511362.7	7961663.271	7339052.721	7417471.438	7919923.238	5007334.5	4943556.429	4296331.329	7266044.497	8735062.145	5918854.63	8714133.767	11194165.29	7134840.617	7576544.589	6023843.299	8718151.525	11885386.1	7295327.071	7670860.836	9833587.902	6314343.242	9851205.393	6336043.653	7531675.848	10222406.71	7064429.021	9976623.579	7562108.511	10981242.67	10572023.18	6392878.938	6848671.038	9391351.153	10079682.87	10142488.16	9102836.124	14140674.53	10038441.45	12666944.31	4386531.427	23150239.86	5000103.985	13278842.32	9838687.624	9491467.506	12478947.18	10372088.74	16482150.3	5603953.64	5782179.015	7820632.431	4902470.204	7329520.358	8131956.326	9647779.43	6322417.835	3567427.992	3868485.506	9604903.676	8089300.236	10620190.39	10767391.13	7379749.046	5963646.234	9121207.056	15003459.11	18638215.47	14272265.82	16282957.28	7093076.186	14449558.33	5035736.186	20414832.85
C403	"Guanosine 3',5'-cyclic monophosphate"	345.0474	C10H12N5O7P	Nucleotides and derivatives	Nucleotides and derivatives	7665-99-8	1	1307866.826	3108739.485	192072.9835	67670.84218	29166.6375	575317.6358	179503.445	705074.377	432718.4664	769609.39	194801.269	468291.1029	596557.2034	459988.3392	NA	3809900.389	96112.3704	530162.9867	272934.6535	164841.224	128619.7033	234155.99	2073020.233	214288.175	79256.364	173317.0324	1062464.945	489873.8627	187237.0834	237017.2226	647760.8971	186089.288	591703.2533	176485.6692	63723.8715	90417.64	174132.0412	159033.2632	562117.2188	166443.4705	287574.7223	3148893.11	285116.6945	223435.1867	1582577.584	173821.195	235911.69	2121987.711	439142.8558	1034600.553	275146.7505	113520.895	427917.686	435641.6178	326418.6809	810251.9645	1208908.05	415850.211	1046776.587	234495.4281	103762.2667	1894664.683	750008.6593	257895.4647	57918.32	802039.7424	362509.9288	711669.2116	402532.708	28825.38277	480606.8264	374738.5833	1502496.514	749205.4222	207521.076	49188.83433	123161.1621	147573.491	47521.92636	35709.6405	87723.8255	107273.8147	101308.6218	68302.3624	80230.6095	305112.982	155585.4106	81440.56818	153917.3305	308419.7967	130674.3435	148461.7485	82346.82545	137973.4345	119368.353	60880.01346	60631.5492	67551.6114	157649.954	200016.8352	121956.4252	84951.74182	107104.2516	106481.2211	94121.61429	160893.4494	321423.522	76420.47289	212599.5171	119851.8107	192407.85	130738.4578	88605.71417	70980.542	1038560.272	57677.27167	70222.42829	124346.2297	623185.0978	824162.6987	106902.3118	91881.22036	97089.26073	91803.074	229898.0026	158813.8087	964050.3687	56630.21333	240464.0488	94631.86658	160717.2923	407013.4426	91562.22514	95711.4999	180686.2206	57585.02133	135285.5273	453667.7973	82021.09208	161921.5827	241249.8855	137820.5556	NA	111596.1687	168738.754	413757.5053	188149.312	115695.6561	127463.6656	103367.0587	64427.81457	115497.9201	354580.3596	288080.1116	215819.994	147362.4	295421.2935	205191.2757	910028.9535	64300.53458	320065.3149	173784.583	95940.52714	NA	160027.8278	29375.3705	133244.8264	117231.801	804598.2782	83993.21686	NA	476149.3786	595118.5975	78668.5975	228584.8638	452241.6842	79235.68456	1201731.466	42393.344	83201.98293	85193.37295	70850.50408	527774.69	254821.5024	621586.584	94491.39514	136977.1927	590710.8517	68801.1646	204191.9524	105205.91	330052.728	511798.21	92807.64181	95396.245	48615.7585	65141.3664	132416.5343	136093.1292	101940.2732	104434.496	228255.6102	386336.341	420639.7437	206947.9528	425877.7952	400927.9514	215292.768	460705.5875	147653.5059	1094431.249	131402.84	344013.8439	706937.5633	2556737.394
C404	Guanosine 5'-monophosphate	363.058	C10H14N5O8P	Nucleotides and derivatives	Nucleotides and derivatives	85-32-5	3	161319.0163	220686.4	46309.815	33985.895	43389.28	100820.4467	46970.25538	86506.62083	41641.73225	128597.7041	96856.54825	68360.7366	64629.80771	59584.15636	40653.12375	312946.3402	39616.72	105120.2503	96697.436	65450.59563	31982.32725	NA	112919.098	80625.609	67498.30114	50665.97714	112697.7345	116071.4406	67296.66	48310.0275	123892.3968	106610.6711	60151.055	58477.76	45596.63588	70737.04	58967.57	57968.8625	66859.86057	46508.25273	49360.96	283609.206	49341.18678	73517.46289	106751.0904	43306.954	66629.9225	255724.6069	93611.81	139173.5911	80808.67687	74625.1775	80955.92	78694.74	164125.71	130896.455	169825.0371	89445.7908	174500.6235	95888.32	48040.12267	151328.2866	143330.8337	81278.605	69418.99543	74281.38388	66560.52857	91486.56	95664.94	51633.99512	104375.7743	64136.16	100523.3129	101243.1579	49601.20062	27919.461	41502.56	42425.53714	56953.865	61634.52	88354.86862	77351.493	38982.23	53771.23687	76279.4635	42641.23825	55522.086	53142.82762	52504.54463	87664.80043	44645.3025	93698.1075	55963.01225	38147.63443	77338.8	78279.40788	73292.635	66869.63186	61300.685	64632.5075	53354.86022	48975.8325	37131.27571	60791.38857	32637.30957	35622.608	76721.37638	79666.452	80621.1525	86141.44	41076.8424	86691.81257	40974.15175	54971.8075	135222.9069	42641.23825	45644.9425	62721.49714	111619.2127	74496.95189	119911.8164	78054.50857	89625.2945	52964.49425	51570.04425	69491.1495	122310.0911	43978.565	54073.70729	55210.41686	83186.04771	94315.76	44331.76	50648.06587	70294.6475	68226.396	79551.85837	88304.23843	73302.45975	58486.0665	54713.85075	59401.55433	49291.85567	57636.8925	46075.35886	84408.41969	52640.5575	56296.8025	64386.99686	26880.57643	61967.4225	77350.66575	103145.0543	127636.96	110732.194	45978.87657	51876.88	62062.15429	87627.57975	59428.68037	66954.78113	77024.64	49368.85163	73713.5014	63840.13125	87270.3	53056.892	84048.7515	76082.16	48686.70675	86079.93429	90516.328	96625.437	76749.582	83030.23987	97610.37	65403.849	66018.59744	74948.032	60363.6	110698.8976	42137.74462	122925.88	85285.5175	312347.1939	41974.59012	123882.8745	135333.3809	61967.4225	121385.5947	50233.497	67628.63	95599.55125	66651.2	51639.0525	71052.08	66345.17311	77091.16675	50697.31333	24339.2835	85198.96	142226.3472	123542.9667	104552.9057	119614.1657	104893.9733	117593.5012	133251.4525	216002.9179	74282.31625	128356.48	146833.8941	96944.565	110975.92	265324.4
C405	Hypoxanthine	136.0385	C5H4N4O	Nucleotides and derivatives	Nucleotides and derivatives	68-94-0	3	82597.1553	110301.1461	42859.9366	32221.4935	NA	80236.7879	34019.259	41230.62	47657.96318	61482.6895	93978.8109	46834.2431	65158.028	28238.73886	37574.14314	122217.8068	NA	59971.0371	NA	59073.0616	NA	50400.214	54299.856	56288.60343	32717.452	30067.35467	85138.92267	40762.48	40078.82571	37275.02457	73674.9961	54854.3743	59976.024	55373.472	20439.9036	40881.197	30818.3715	43122.88243	54861.0876	NA	35511.055	83037.36	NA	34311.88686	60406.554	32228.133	43169.2196	108206.2692	68112.6389	41862.742	39958.199	18357.9474	102467.6084	74593.845	61800.1395	NA	52960.08667	61785.0165	112337.1299	45907.93309	33720.738	70815.717	90080.2843	48921.4978	73602.81855	60989.75589	59665.9848	59164.98955	53493.87491	40554.81929	56674.5047	62341.8743	72463.644	29439.176	34553.549	18722.55611	51743.28	29834.62633	45939.0122	34354.564	57548.79629	24470.632	38786.004	29475.69778	24841.07133	52829.30857	50028.381	60866.4894	41478.239	67703.2694	43721.23286	76550.0135	51840.0924	69816.736	58174.5576	45518.04	48225.242	56258.391	55470.151	47519.59418	49123.20356	63348.19636	52524.74571	37978.808	42239.27918	48723.752	42343.87171	41383.008	49428.8303	44016.5088	54260.22	22664.295	39472.99257	32580.70773	71446.28267	42201.8424	51243.3432	55499.018	56361.1067	53738.88143	36183.78333	38439.1248	41760.90764	38654.16533	39189.6432	35510.246	73387.424	30140.104	61456.668	40621.0443	54904.22364	62815.03644	33108.384	42661.91417	38567.64257	53529.88964	40800.3575	63900.954	50603.742	60858.156	41871.18375	25344.60686	64764.306	54356.192	43436.855	61723.52143	38485.90767	38169.14657	58260.87	40678.421	42670.705	49412.61	52449.5304	68422.5216	53692.8278	NA	56384.6832	42277.584	43720.40971	31379.68145	52416.7813	51010.3699	12831.027	61149.0418	25055.20286	54851.923	34344.874	26235.32722	68535.201	33720.738	60870.778	51920.002	45983.6475	42073.663	58270.51433	64005.52533	38195.317	54898.1245	29543.062	28877.688	40782.552	NA	75054.0996	47319.8952	79641.5847	58582.3797	65099.1741	49831.973	36678.40429	73377.3945	67420.7592	80912.57956	67226.77527	44006.5547	29283.243	68759.628	71261.65867	65183.27	23887.856	38882.5206	46242.61933	62738.48955	70148.5054	56368.8216	53645.128	40381.74229	37891.4712	34017.641	45209.67938	58580.512	59689.7975	39597.67822	61025.342	25277.563	80744.53
C406	Inosine 5'-monophosphate	348.0471	C10H13N4O8P	Nucleotides and derivatives	Nucleotides and derivatives	131-99-7	3	45780.82	31041.01333	30071.42	49568.508	45066.106	25868.68	39447.37	50117.28	18288.7305	22312.04333	26056.703	34277.157	17165.205	23597.02767	27945.764	39754.86167	36372.5775	52420.371	64801.10867	20312.963	32602.79	19402.38667	30679.635	48267.66	49022.4175	46350.7338	45727.71	35740.6	47835.53133	34266.078	16778.176	27682.256	34417.734	46819.24867	82227.39	50116.40333	54966.12333	26282.476	41063.94333	47124.77	40403.34833	31041.89	60462.82333	72103.20333	35877.08667	35596.528	70857.512	23928.61667	39109.88033	55855.9155	74005.68	87587.764	27945.764	47529.36	68628.2975	33851.9615	57230.55333	45897.082	36228.87	60933.726	47530.23667	38492.407	32372.8705	37321.83	39797.1156	44911.482	43385.1264	45859.1	67899.58667	78891.23333	31438.554	46809.21	21010.968	50430.0115	43004.88333	76653.6012	54586.678	54398.085	74262.871	56260.08333	58193.38	41063.06667	42357.90333	81561.632	108313.0433	25535.477	44748.5815	39785.982	39123.88	52865.763	40254.456	48903.078	43004.00667	49080.8445	100661.232	51410.36333	92817.093	74034.4954	86617.663	36862.08	50778.105	45909.996	24286.35	58077.7265	38477.77667	25949.638	65421.52067	83417.46333	73044.136	79068.213	50288.0875	50808.471	26515.66	47207.62333	39378.508	51086.87333	50440.77	80973.606	68519.627	29101.82667	110253.1067	115794.492	77800.1175	49305.004	36066.672	38084.8695	41917.744	65313.42	45065.2455	61354.9825	70844.0775	44028.23533	50286.3725	34921.14	60140.21	45913.66333	84333.158	80832.17333	63948.6186	58467.488	66010.676	69451.67667	37508.18333	53026.93667	57208.79267	35658.558	49748.919	40401.59567	43541.1616	56808.489	62055.79233	52078.446	44297.09	41695.94	78432.9525	42915.356	43645.8925	43327.49667	40094.35	84734.2955	38590.266	68549.151	37513.5948	78862.113	59577.33733	111109.262	73852.152	66367.602	55591.95767	63671.751	52400.75	57220.174	41517.2415	65635.15667	35231.229	51391.692	77800.1175	38611.6575	85133.2284	112270.76	122705.6775	45227.1225	32603.692	74365.00333	21899.725	58714.4316	97407.7125	32934.726	60786.31333	74941.44	73057.285	53559.858	95220.543	39534.18	48603.9708	60954.928	41760.4165	60253.66667	60018.9216	22626.92667	50143.9165	56220.758	50658.592	41063.94333	75002.271	48176.34	78748.5125	81799.29525	131544.2592	42415.431	27808.74333	84125.0375	41252.068	78749.37	26614.412
C407	Isoguanine	151.0494	C5H5N5O	Nucleotides and derivatives	Nucleotides and derivatives	3373-53-3	3	1191175.895	1078451.614	668699.6137	641554.6125	1092882.488	704389.269	787792.266	NA	954672.3638	858661.944	1009286.59	813674.2675	1117455.445	552745.4887	1393787.444	NA	1276368.779	1226002.688	1653261.652	1399982.25	1044258.777	794389.1107	666445.5175	NA	1089456.19	1540910.688	1390807.99	1056067.843	893325.944	1017051.112	2118733.751	1016444.59	973292.7525	672923.2513	1159050.691	1092319.39	1677127.99	1519795.112	1199689.39	1188282.25	908333.255	1010576.988	787278.5884	911221.9896	1149422.788	880157.25	1364848.488	NA	1477213.388	895536.6263	1000507.25	971674.7513	1040382.25	1095532.611	1493764.751	1256648.876	1202782.25	984811.7884	1221163.39	1491550.751	1725507.25	914085.1896	1437134.188	1834573.501	1209515.751	1526094.19	1703619.503	1452182.25	991253.0884	765198.7896	990357.25	1076632.25	769232.25	1131927.376	1354722.42	1059353.618	1027148.65	1320880.652	1063765.626	1028782.25	1037773.588	1322091.19	1867985.588	1193247.19	944148.7896	1284690.088	1206752.62	868395.2908	1038489.288	1034195.088	1301866.888	638502.1896	1343377.488	611680.944	1627632.25	835745.4453	1095182.59	1343412.193	1485293.59	1542557.59	1287607.25	1039204.988	1109509.779	1417382.25	1181020.779	1317612.288	1108627.888	788218.1262	914085.1896	1155657.25	828330.944	1717688.588	869695.112	1382934.19	1111432.25	838926.1896	674032.266	851157.25	886168.9896	1178050.788	630171.7675	933411.7896	1655653.99	1023315.944	1657801.39	902787.8763	1853930.59	1027038.088	892019.9908	905532.25	823779.2884	743008.9896	486684.5884	759619.2675	1020295.269	781662.1896	1612407.25	653533.9896	1022028.188	1624917.251	1502472.79	1442032.25	1215436.99	921703.112	1263010.202	1298482.25	1151569.888	740042.3884	1043871.851	1222424.188	1181629.288	1653007.25	2006807.25	1352870.59	2407093.751	1106480.788	957172.2513	1903460.376	1671168.088	1441087.751	857536.9896	1126126.376	1154932.25	1393671.19	1778432.25	1037918.59	1463615.088	1955810.351	1304507.126	715582.25	1479987.376	868131.5025	1156581.626	977307.25	1208790.626	2250795.251	1204632.551	856379.8763	917857.25	1267307.25	993982.25	1263682.25	1491332.25	1215832.25	1155131.376	1061590.251	1025882.25	1267307.25	1076632.25	1056994.652	662657.25	980207.25	1269482.25	1480457.25	1629169.39	1104907.25	1248672.501	1444692.251	1331107.25	1318782.25	1562198.951	1429228.626	1442280.876	1242871.501	1283478.501	1128107.25	1706378.951	1640240.001	941154.0884	1653732.25	1279143.19	1426328.126	1256432.25	1310082.25	1294709.888
C408	N6-(2-Hydroxyethyl)adenosine	311.123	C12H17N5O5	Nucleotides and derivatives	Nucleotides and derivatives	4338-48-1	1	3917985.798	2529624.932	3736237.29	3661333.812	2999220.653	5192965.372	2326113.188	2817267.15	1638275.192	3767487.925	5081200.582	3745692.62	2612115.618	2343622.862	2587735.283	3220944.725	2866650.241	3467650.017	4271507.719	2016100.52	3462059.124	2883896.039	5633393.437	2880795.113	5483470.581	3119999.985	3089101.408	2192579.792	3242769.09	3121017.957	3734473.841	1824890.073	2557858.434	3675352.596	1766909.476	2204523.438	2383973.954	3179927.008	2762939.058	2953128.684	4152189.593	2787041.277	4074697.424	4106234.015	2792661.083	2142942.009	2146065.831	2984942.662	2392356.45	3196860.504	3772667.21	3143642.055	3180993.2	4237101.71	2084954.14	4193239.5	2045596.437	3266131.516	2520907.407	6029991.95	4500807.54	5604031.696	3452651.615	2658306.932	7956174.968	4222259.573	3766376.533	2859602.973	5677238.446	4306242.81	2522878.92	2405122.651	3510420.464	2167232.236	3322488.792	2430521.31	4969705.623	2476713.656	3159970.644	2821311.821	3626389.492	1809578.22	2580610.846	3601041.35	2713983.003	4137476.719	3175115.891	2249121.563	3559543.473	3739719.564	4872497.616	2973241.784	2883506.512	3836954.15	4133820.347	3689750.678	3000108.316	3758524.717	3198703.603	2930674.921	3920943.484	3486883.481	1824573.299	2213545.317	3200303.119	3310977.914	3013591.949	2415187.121	3638997.785	2961716.81	3966818.544	2442947.849	3299026.718	2863087.384	2748051.195	3412708.665	3246802.443	5786946.294	4685271.383	2907239.383	2894381.373	3333165.205	5068327.272	3322493.851	2985706.522	3471576.676	2904593.05	2424759.21	1741305.612	3440878.885	2668278.87	2660285.664	2403872.85	2629804.601	2870748.857	3435177.874	4309120.452	2857491.197	3093239.047	2951868.523	2251803.498	2657354.586	2413217.831	2230560.305	2508847.236	3958630.367	2743738.239	1766617.948	2370746.49	3433491.83	2996015.834	2477642.963	4027726.254	3445307.916	3703013.827	3207304.782	3289864.022	2427625.682	2711489.506	4952620.445	3237432.324	3203666.932	2077369.56	3906883.612	2811761.64	2861068.775	1881885.332	2915251.406	3233501.998	3148777.72	3212742.151	2846189.302	3017396.903	3201956.828	4527465.36	2957052.77	2653084.126	4663981.756	4345160.398	3679557.724	2837450.421	3691625.342	3444822.018	3373000.732	2688292.077	3163663.815	2734211.912	3435258.469	6521210.198	4979860.122	5947397.453	2880885.785	3440844.858	2741980.78	3112559.122	2584192.41	3205416.445	2830720.62	2378018.634	3106809.094	3433018.957	3207853.463	3182749.774	3157684.635	2996891.173	3561577.012	3026701.148	4120998.671	5003672.56	5664888.841	3535387.927	2673684.208	6093207.337	4204284.359	3063513.341
C409	N6-methyladenosine	281.1124	C11H15N5O4	Nucleotides and derivatives	Nucleotides and derivatives	1867-73-8	3	132415.3449	155287.9898	77370.26663	110854.3916	113284.0516	278852.3291	110649.8566	94667.7264	122400.6416	198003.8601	216830.7199	213939.7824	162794.8905	256753.4085	131060.3291	210917.2563	79800.28238	171793.0678	145135.4699	229634.859	125272.1716	198385.7537	239958.2199	155307.4541	217947.92	122400.6416	196636.6596	146724.8224	188934.6495	196079.1535	240749.7041	318501.2305	133571.7199	157633.7678	99308.14162	156462.0791	146418.3539	241749.2091	162812.5166	124417.4726	221930.9607	295141.3702	102355.1582	197172.3449	251531.1726	149760.9699	135678.8291	317581.067	251718.6416	150917.3449	195437.7824	207383.028	288525.9699	157138.9226	165541.9749	166384.3984	141743.9557	159348.6416	220725.1866	138880.4152	150232.1726	168262.9699	218811.8291	237977.106	218811.8291	279278.386	173706.1996	184770.3928	172161.2734	82363.62889	153575.5166	167106.5949	204925.9713	104627.8709	118081.5463	63617.9085	122029.6101	76331.15738	99637.02764	78609.50618	191228.7994	84285.37086	81534.23163	121429.7824	97597.45575	190526.5238	183236.404	104233.2305	129333.1284	125420.1425	174841.386	95256.35345	129043.7903	107472.3308	93098.59488	133461.2434	108733.1596	98844.09818	112659.4609	124538.5072	85500.38514	107472.3308	119077.0171	56672.78238	182521.8126	181703.1154	86178.97213	72299.47213	93742.66687	83856.6585	115965.3009	102884.228	142838.1585	131961.1577	135110.8091	120721.6697	148315.4496	90259.2305	163979.3064	146695.395	77847.70575	147552.7057	86225.54025	104994.7527	178092.1574	82753.79025	173781.4541	104162.9152	66544.97143	79204.98163	91088.1655	135884.4699	110866.3928	91862.71087	95989.53238	148957.0166	153749.78	148445.0983	90410.56592	179982.2289	85993.62182	116627.5166	132198.8989	90627.3264	116226.0949	202069.7666	114318.2666	180131.8916	153808.2824	119695.2199	92694.98286	117575.8312	160613.5674	196852.6405	165630.9958	145575.2423	164544.4541	327688.3244	319828.9397	81534.84488	143385.4063	146029.7215	108533.3905	115069.7199	101046.7377	114945.9554	104662.3449	207357.384	220618.368	75175.2924	108506.9411	170317.5791	124043.0441	95256.6405	177648.2903	276543.0791	141598.7351	155861.5444	162667.4268	171435.3264	112756.9699	132763.4805	256322.9455	285202.7666	327382.0178	178391.1273	79729.55333	228567.2903	118052.4011	227791.6562	148138.4153	117973.4085	79146.31371	84542.106	152401.8535	154710.7625	187484.9153	121783.7633	69044.99883	139133.6975	143994.6585	132792.2666	140509.9699	142136.8995	122007.9699	159714.6869	137957.7264	159011.9699	140835.124	165824.6495	198328.7199	105612.8246	256154.067	131377.4023	170317.5791
C410	N7-Methylguanosine	297.1073	C11H15N5O5	Nucleotides and derivatives	Nucleotides and derivatives	20244-86-4	3	235013.9291	176827.574	140865.868	87840.11	285359.0155	212092.4491	140883.556	88399.4342	139776.567	187892.972	269835.9156	423200.4636	162688.492	105804.8784	119608.528	510289.572	125089.3764	187822.1899	317880.5076	92278.51455	154469.3046	116712.8712	296520.6283	138587.172	357993.0332	313160.0831	444748.0248	141970.0234	262108.572	312253.7886	305071.4205	187187.5855	183680.2983	104993.9516	87063.1645	138286.4262	288072.0375	113135.9229	248128.4898	179794.5132	382861.794	253336.958	278465.6133	247062.2129	169581.5407	114282.036	105502.2826	139372.068	283841.5476	131004.8155	175929.3653	214318.0728	261774.6235	271177.5	222721.5529	139783.6944	223339.7946	98246.6706	304431.908	356877.0142	158416.148	244628.8145	260319.889	177430.666	429899.9018	314369.4515	154184.6383	240143.3131	198927.036	123638.8049	92786.6076	115538.7571	96142.508	97605.942	177790.2653	99862.16673	108851.4314	123921.5356	139657.9925	95001.448	384066.312	120613.6828	67121.604	189198.2778	299594.812	207918.71	285801.5465	146118.3138	148541.6545	207530.1278	404293.1865	86029.12943	91882.399	131125.869	234900.116	222809.048	74259.68133	124122.0564	138434.0464	192209.9015	119498.9719	129684.0337	107847.8232	164291.8457	129698.712	147836.568	162663.2185	125164.248	145098.8656	128372.4676	200339.8464	155376.2561	128227.5181	227131.611	164016.126	169300.868	83104.06	244283.1087	88282.436	96419.96591	143285.7985	203767.5782	234627.2181	200135.056	224898.0591	204368.56	184592.5046	160026.5086	217206.8568	85653.663	158227.3727	202857.072	141600.4618	223194.212	177483.9636	138692.1993	530197.1914	69540.988	162099.1	216486.2865	162537.8112	294263.2491	155714.4279	182026.3848	116964.76	122347.9152	88836.8949	95301.55933	122430.1273	121401.42	151162.176	143607.7763	212227.796	175036.5655	168133.0328	111503.5302	168410.9935	142998.636	179275.184	228336.129	177351.8291	250198.3876	88876.2316	201605.1273	101391.9308	98163.96173	135914.988	262414.5741	249079.8102	132403.2164	166862.358	275644.7567	127716.11	66517.176	141347.083	293431.28	200739.484	228644.2313	206948.854	261775.4594	195928.295	70799.169	440401.5954	154524.0833	143453.015	185142.1533	142487.982	333451.976	167721.1997	291008.3327	82160.358	50188.437	167507.9229	101571.8808	143286.6344	123736.132	114599.6134	116593.2261	80491.3767	63576.9079	150620.561	146793.5727	147365.1903	189154.21	127470.8665	74722.39478	213436.652	213187.4535	319364.2041	200802.42	222307.9236	171697.806	327367.6965	108149.223	234175.1904
C411	NADP (Nicotinamide adenine dinucleotide phosphate)	743.0755	C21H28N7O17P3	Nucleotides and derivatives	Nucleotides and derivatives	53-59-8	3	173142.2385	97462.419	186445.0747	97410.159	148843.526	82881.414	134897.448	221123.2016	199174.401	168998.5671	66852.837	121036.2615	92316.9555	206855.055	91024.272	199830.67	106464.713	269000.913	188461.8255	72213.0255	113652.693	256746.4125	72866.066	114883.461	156093.5973	115342.915	176531.29	123225.0675	127319.0147	244746.4464	157418.9167	134502.116	136197.612	197174.96	186407.8873	124010.6985	179706.681	97496.256	150731.52	95232.851	128107.9613	124528.9147	172868.334	126129.9913	315100.5165	120066.4613	186879.1375	102884.8233	130403.2536	121592.7763	164319.7013	134166.186	NA	187593.12	152627.706	173189.2222	119336.4475	358821.8273	107427.1	224428.05	132934.3785	148043.993	264875.3216	185102.3225	155701.0607	144082.64	117436.0945	119606.432	172594.9	149007.04	186197.0698	87617.283	160906.7775	147566.6048	237417.96	102762.6012	167524.336	179408.826	132523.776	158942.532	129556.68	167269.8341	201281.3828	188323.0965	190291.356	189559.2325	277890.984	352927.869	165757.6305	333573.2775	198675.36	196938.4725	181935.273	392027.682	276263.2846	188323.0965	140509.824	106676.6085	172342.181	217121.3845	105095.7342	96179.58933	146558.852	186789.785	104625.675	284841.5739	99701.5635	94379.499	150524.764	182343.5055	116523.792	174133.713	162972.3235	117060.008	166085.92	154340.4184	248634.8865	276658.1042	209941.0735	409595.1695	145697.979	159288.358	148935.402	118574.7255	251096.4225	171063.9547	164977.6413	121013.792	206105.0773	181869.02	242508.168	182319.205	297590.471	296178.565	133344.981	276124.464	221705.1991	240276.4	222659.7162	70191.667	174091.9431	188665.6512	94379.499	125139.168	155910.447	118165.1625	138321.617	193112.7585	234595.257	166176.1145	161732.48	139098.7817	362857.104	222399.996	65719.77	161628.012	176497.536	110318.8207	100394.5973	136788.315	188137.4723	145117.183	164611.716	68427.359	120285.4885	103972.4315	143351.8935	257917.4786	66808.56	270913.7892	107087.211	136285.741	153599.341	157866.5714	154424.385	113651.6535	193211.532	71388.111	207419.6276	167068.72	126254.784	169086.612	80926.965	167808.564	89034.2145	197360.6126	246173.3505	188352.555	114291.372	219021.169	214731.37	208338.3691	118675.656	221696.048	167507.8627	102984.3045	96613.482	201784.3475	268292.4114	57881.2	156637.58	98471.835	162247.5459	164606	160608.384	139498.821	151807.5405	159288.358	130165.308	149302.5105	161103.6613	NA	92583.351	84331.26	99995.532
C412	Nicotinic acid adenine dinucleotide	663.1091	C21H27N7O14P2	Nucleotides and derivatives	Nucleotides and derivatives	53-84-9	1	171576.5695	119377.7175	179742.0813	268091.3045	309315.6	145454.7382	279278.5744	127002.518	124418.9171	132088.2799	219322.2097	333818.32	157206.72	157721.771	159776.1323	124395.834	292768.08	297804.8543	316917.6523	317314.9868	260967.1006	123441.3124	355543.6696	127313.6017	376140.16	355975.4798	248852.56	294048.0594	219189.72	197554.1014	365438.678	249879.4929	264802.3286	234215.52	275623.4655	234758.9857	311548.7019	272467.175	309950.96	403049.7406	260310.16	169617.36	285131.44	305222.0692	204015.1475	357534.5036	293710.4575	242569.1037	187156.48	342727.44	237432.2014	349761.8391	254258.2475	275466.4643	379376.121	177280.9384	295343.2286	171618.7354	163212.6775	278448.72	283419.2271	304424.4311	199875.5074	339723.379	249977.6897	296031.8596	316360.0511	331271.6	246780.0806	406618.0612	363094.16	205894.48	224792.9357	179742.0813	370573.6226	294049.8156	351001.2	438919.9118	359644.5986	329455.98	435072.1912	291599.6464	269536.96	427434.4665	342221.7171	537434.9356	345759.034	328772.454	335136.6379	249875.4975	178234.1138	503816.9947	449329.76	192888.5575	448692.64	246454.0926	263295.3133	587838.1279	431290.575	357683.92	532066.48	305849.7425	332826.9675	426100.4	210666.72	391499.8675	367919.5339	346228.08	449095.2863	469059.36	292628.5032	302793.1277	369224.5013	410742.4506	311587.1332	308909.4257	274489.7675	591340.1452	290581.1899	319633.068	364812.231	422918.32	462190.2267	243772.2409	525287.5701	401902.9033	271068.8733	308208.9675	356462.0666	391159.536	340867.1318	260734.8343	238817.6306	353443.4246	432302.3375	186377.312	414703.4584	272362.974	420555.1196	799134.1133	451622.0617	461487.3829	405162.6252	362499.1175	414326	341503.4621	336680.96	378299.0354	312272.226	609711.52	302815.3875	602477.247	375731.5414	255573.3113	580817.1027	366161.3776	567070.24	390771.4158	314997.8242	331000.0504	292395.932	558794.58	320046.0317	445115.82	429404.4353	363125.5646	344368.269	505345.4534	387705.9732	486710.2605	372746.2637	434719.8281	477875.544	463008.6431	350688.5884	351637.44	454123.5408	546082.2185	547633.8684	632622.32	331272.48	408656.9996	229978.745	499967.7303	246943.84	598152.1571	388922.8369	431963.84	496369.75	358421.0752	153091.5829	485131.0429	686885.4738	443283.28	440730.2725	365086.2814	305768.1943	449076.81	397488.6669	396573.4275	333181.2	331768.861	362128.2893	337078.7131	336757.4646	362013.7152	542647.2296	372279.1775	416295.6045	430331.3309	316558.592	262893.3375	287303.25	377730.32	230992.3725
C413	Ribosyladenosine	399.139	C15H21N5O8	Nucleotides and derivatives	Nucleotides and derivatives	-	3	35825.811	36444.61944	27822.408	17442.43967	NA	62018.91833	41611.76718	29916.922	59810.993	32584.648	77633.87369	39316.068	25048.5605	41739.99875	18472.7836	29772.939	48858.81786	45461.53108	NA	26774.99467	25859.0548	64155.77817	46161.94467	50366.1625	43057.0764	35913.681	34501.85675	40814.69143	48124.11275	40072.356	NA	NA	15647.9625	49337.83615	NA	15769.17333	NA	NA	75127.913	82718.93891	60650.4045	34100.63031	67994.86769	51412.131	60273.24417	NA	43122.31944	32628.02025	40221.07031	NA	77180.51	52548.7845	18694.47225	54567.212	18938.224	79959.77	63226.35282	69984.23323	64922.2892	75886.062	29339.515	36047.55875	76158.147	54848.50071	82469.7936	37497.1305	58236.63083	63347.69667	53309.565	59055.7095	16792.085	75389.594	22772.192	76553.46643	NA	39083.30333	49159.75769	37605.19583	61671.65067	NA	76951.1128	45209.115	79554.36257	NA	84521.58719	47378.07619	NA	NA	45812.31643	72656.77023	37824.352	67310.21538	NA	52994.33333	29093.988	84374.04225	19514.451	40401.28376	32883.1104	50061.885	61579.91636	45539.744	NA	62373.762	80031.648	26843.679	43235.608	19843.69	NA	46281.19757	70952.44014	36658.975	43654.299	NA	44014.23706	55575.71292	40734.1165	75053.66733	58537.20429	NA	71870.08269	70147.91667	NA	19127.121	43170.92325	48739.389	NA	56403.725	41416.5464	NA	NA	37126.851	NA	24002.7815	16259.283	57155.0875	NA	46079.79443	39014.17785	26192.223	NA	75473.09671	13623.9975	63386.001	93312.359	15097.0535	47991.72715	50626.0485	45456.85346	90103.49129	33405.50182	NA	48509.3955	62715.48167	54910.63333	73502.11986	34359.845	21384.616	19934.97857	56458.89953	NA	NA	NA	25753.65333	28574.42917	52588.524	93818.97071	46336.5435	10998.624	40625.36633	29220.6715	26086.482	49564.16667	70845.16725	52402.45662	56833.881	93648.93333	43476.561	37036.57038	NA	77634.79323	89514.4655	23441.292	54973.8774	45844.8285	59787.11667	71824.635	80333.43429	62038.13456	91201.11	24009.436	50449.02986	38835.361	NA	42838.53831	NA	54422.56	22511.64667	32857.24057	38904.43073	37752.2964	68249.8505	69196.7004	63217.81414	43226.45815	32878.13154	36964.09662	54825.6692	146220.18	54059.139	59349.519	22878.6285	58657.26587	NA	77132.8912
C414	Succinyladenosine	383.1077	C14H17N5O8	Nucleotides and derivatives	Nucleotides and derivatives	4542-23-8	1	111519.2548	277906.3833	283703.9378	437285.0331	172226.4831	176979.8949	102001.76	232697.2711	258473.05	316648.8944	195778.16	202579.0489	145273.8833	279715.03	136513.2711	216460.582	180610.5952	218279.9667	247270.6044	312668.4152	128755.55	505109.8067	363684.3831	151028.8809	260823.1878	338633.1438	268675.55	120010.55	160820.55	207436.8267	185695.8831	200746.1414	279513.4949	398721.0789	251642.6044	143426.6053	259225.53	363568.2089	241016.6331	218865.582	328881.2711	227115.8217	431308.9842	404662.6044	310273.5174	185576.8267	251642.6044	422150.6044	178110.0897	403695.9438	281793.05	245841.3833	293419.4933	251735.6163	188562.582	505762.2167	285489.76	273533.8833	232551.5139	529646.6331	258282.2278	370172.3822	259444.7167	288108.8833	293905.2711	626863.3044	272084.2128	177297.9042	259900.8267	486398.6167	251156.8267	156933.8833	337179.37	203311.6491	135638.4809	390013.5746	200112.3663	153047.2167	196696.15	78874.8438	177044.8414	166869.8903	145604.3414	228351.3833	126904.2056	183290.6331	247800.8667	368407.8144	498102.7744	455470.2309	186700.9711	259338.0053	300666.8331	348758.3414	161792.2167	186569.7167	206974.7167	191891.9378	348254.582	208761.2644	559894.582	250841.76	210882.0403	211323.0489	151708.6444	391591.3833	103414.8309	412721.9689	86151.43117	328997.2478	279113.9811	168276.8878	308964.3822	297969.8414	153537.2478	372115.4933	207946.5639	891730.5867	193857.2167	200206.6128	210882.0403	271794.8144	186548.3822	252416.7267	147196.582	151589.7167	134084.3822	228702.8622	88741.8449	224447.4414	302329.7908	276934.7167	189134.0944	155747.438	115842.3438	367785.55	220092.2167	585952.7553	223493.05	297718.6309	281732.2128	242543.952	218148.8833	116412.582	108079.4139	136999.0489	232750.4956	314829.7167	267189.7449	737223.183	254071.4933	210928.6663	135793.593	354452.7881	167603.0489	442201.53	294863.582	157313.9331	266937.8309	419468.7438	192863.4933	155904.3878	251945.1042	210375.55	505559.0433	338153.582	115474.5842	170783.3331	213534.45	263734.59	169491.1656	305078.16	329860.2033	407091.4933	143419.3067	360942.6044	272356.3933	374391.8139	149617.1331	341032.0617	317951.582	237150.7589	127666.4016	235611.9378	245194.4597	182328.5331	406016.7831	476681.582	554237.7842	297475.7211	369078.5367	153029.7156	266965.582	235147.9949	329529.8331	435660.8553	407138.05	170108.47	541899.72	165902.5903	396280.8356	423656.3833	347348.3	221797.6842	209535.846	302163.4933	264436.1956	502418.8289	462843.9438	168841.582	204112.846	144361.0757	347780.4064	295362.6044	271775.582
C415	Thymidine	242.0903	C10H14N2O5	Nucleotides and derivatives	Nucleotides and derivatives	50-89-5	2	43180.37533	37373.70186	105223.404	59179.18667	52656.4405	37950.69333	88762.0545	43826.937	46826.04457	35721.492	20099.60125	192562.2171	57944.22933	33262.34143	41640.053	71144.88675	69677.7256	48491.009	40863.186	41283.44	67143.923	89389.26857	37873.16133	52552.87917	38585.057	258755.359	57536.23467	32436.075	146190.9299	218768.904	228537.3633	92816.172	210660.4073	39175.576	23408.34	81067.4032	181888.0286	28174.6336	213028.893	117922.1413	294288.16	18813.858	69803.62286	48849.448	36969.7713	106890.608	38296.982	29966.696	42847.528	51181.5265	70184.06933	41460.152	40653.06857	33243.89383	66512.11733	66104.12267	61579.526	20371.8232	84238.54971	251750.6827	26423.11083	153011.48	42031.53867	121927.7792	23340.897	15975.322	76756.428	101844.0837	NA	33063.792	35101.23933	133018.8427	74661.2685	67030.20133	21293.9245	16369.39175	NA	135150.268	44357.5845	41473.25571	202872.114	34096.88667	29710.6725	104866.312	51629.7221	88028.835	71606.67043	46994.8075	163008.7963	291509.16	9248.20675	47336.368	31802.99786	56822.56457	22450.16017	64311.642	24229.43143	35095.62933	37944.5535	139247.198	57067.69714	84603.312	32356.17	53456.288	214254.9017	32018.776	12463.43475	35045.2648	65711.925	15753.0528	31974.14	21731.77143	40530.7035	106181.586	40409.02171	57485.44286	93336.58171	143327.07	36318.71467	51331.5036	43946.9415	195892.0875	178716.0427	32033.696	216786.2229	161987.3627	81311.74629	33775.6265	38990.83625	80538.10417	35556.3	18369.45683	18475.048	62840.16533	154053.249	14265.0704	123634.0667	50765.5333	110003.24	107129.424	21658.0885	230713.4958	74673.808	21702.41725	137824.575	32646.76267	72529.6628	62329.3812	33250.024	138323.752	36666.7696	120593.3477	54993.73917	28201.24125	30387.61714	80784.576	48445.25	53058.13167	47335.46933	64880.13867	28609.768	73515.0465	28474.5216	121964.0017	85470.56467	31113.91233	175295.3125	53728.74933	58602.19971	53492.88	43361.55429	85404.36	39404.39514	53456.288	12868.9715	43526.88857	84951.295	49671.64	57749.6314	176494.4625	77936.86667	31215.1995	91305.62229	60712.6996	65339.19	237878.864	40240.71429	84362.73857	48568.45917	57933.483	34755.39	NA	60392.19733	42855.4745	40241.61857	37217.1326	34740.4729	70184.06933	41459.248	47651.50733	19017.504	75080.00533	29811.6783	135467.7093	130186.1212	25456.8125	88885.45167	31019.63717	70593.86133	64066.10229	159284.3292	75896.48186	86820.0085	18366.05067	51007.42133
C416	Uracil	112.0273	C4H4N2O2	Nucleotides and derivatives	Nucleotides and derivatives	66-22-8	3	294186.3275	305620.6189	305366.3275	263438.0278	252555.5368	216747.5698	285819.8075	266915.2557	286754.8522	295676.2512	255786.2445	308576.5222	283563.8544	294121.0767	255797.6778	264862.5161	236058.9945	264588.402	290021.5222	265925.7422	275741.0511	181216.4813	282487.9665	212354.6725	301679.91	303862.4956	286172.201	292746.7433	249006.6206	270779.3	240330.6289	284380.2368	253732.6512	229765.2989	335351.0767	258388.41	225357.4133	233138.5524	290411.57	246706.5767	282005.7175	257928.83	280617.6778	269586.6524	257017.1578	270024.9868	261622.793	231103.6359	296520.3972	295546.7212	252953.0486	269054.1359	198556.3223	282315.9945	234834.5798	218650.8248	239940.4556	250078.8859	231977.4945	278316.2433	246012.7609	225725.2988	299754.5906	262253.0722	240353.3522	267464.8751	197886.8	284382.8706	264116.8903	239235.8859	294101.4473	265099.4469	247850.7557	228833.1	252357.4512	199911.5722	209069.0524	261864.6189	275805.5723	292203.2654	271739.8223	275922.1725	233792.8223	240591.2609	248022.9472	241376.0575	275178.5343	265965.5559	276193.7445	258187.3223	226903.5343	257146.7445	248230.4587	270198.3644	204274.7557	255762.7434	244199.5559	297554.6308	271087.1984	277609.92	212003.2087	211273.4133	222453.9945	260244.1984	252763.2804	236211.2036	213305.2075	219712.8059	229880.7639	220984.6608	276193.7445	244625.2978	270471.2	245490.9225	237251.8689	259590.4495	250756.5734	229256.4945	242624.3234	249581.0575	238558.1984	240661.4002	227895.9945	222453.9945	237917.8512	237230.2512	233203.9238	232871.5057	222914.8075	224816.4012	237375.9225	249075.249	229937.1725	243957.1972	259774.8248	224527.1725	258888.8234	254237.3435	211705.57	257701.2433	250344.2445	277135.2744	258407.9124	239909.5528	259075.5767	218557.05	279826.1921	243279.5722	240628.4914	296048.9939	283971.7178	288438.2445	199685.5586	253159.6777	227899.3267	267375.0581	249430.402	258942.0231	294993.72	235906.0575	280177.68	242774.6344	220888.7486	263862.928	221890.5281	290107.7156	301275.5178	271436.2439	258033.9771	223937.402	263285.358	256310.9225	309525.9945	281687.5395	316208.4956	202609.5488	287042.8089	183956.4591	287169.3611	247227.12	290770.402	264594.3	263943.9568	295761.6211	297818.3664	269589.8856	277192.79	275822.358	283844.1778	269435.8406	302885.8689	260180.055	304964.8075	261892.358	286607.9891	309037.6984	299747.1622	259716.1736	279001.765	308194.3562	284040.7211	265763.7029	315603.0281	289310.91	250808.402	248332.293	320375.72	286423.8081	313607.4945	220021.6248	320136.3664	264534.0236	230616.9945	250344.2445	279928.2333
C417	Uridine	244.0695	C9H12N2O6	Nucleotides and derivatives	Nucleotides and derivatives	58-96-8	1	576585.3611	807577.6952	190926.75	229890.446	321604.5735	655229.1413	443954.9577	422001.974	471164.9067	586871.7938	776507.778	946464.4444	676418.634	204506.77	199763.3354	1687877.34	251187.552	641667.8178	416199.5691	164583.7298	240395.8233	869678.3926	329074.4385	755477.9189	953591	639538.44	635328.9056	332582.9585	345102.3811	717803.7812	943691.2904	427154.825	573710.5525	386838.144	121508.8182	221652.672	493776.525	207500.4225	399752.0065	354223.9378	1228887.898	615264.3805	579291.2767	500974.8403	333209.334	285087.4043	266167.153	502463.318	537620.9112	249861.2655	494455.9607	313366.3619	578949.2284	632949.88	498114.5044	334699.305	502225.7295	325348.39	1240736.725	1695039.569	310297.548	617282.3455	909451.0252	374201.2523	695290.1653	553769.752	596724.9653	375434.5707	795917.4529	225086.6944	378376.8413	532175.8217	366852.6047	207358.875	245745.4655	117851.6111	280541.4616	442512.5865	330316.9075	148880.6035	631609.7008	279368.6875	189763.5144	524820.4841	599128.9135	773796.6586	636888.3858	359187.8497	367573.2235	940591.1498	468023.872	371038.095	333363.4752	909893.9288	206428.3105	648617.9524	375459.799	300047.0687	776685.306	492089.8694	293736.1944	307989.637	451994.1611	360884.061	561956.9468	311101.407	378867.8076	241256.539	575906.016	272611.941	588801.9225	296933.9048	714123.2544	516850.92	704616.987	482065.2769	354933.4652	444043.5155	485989.1111	464784.0862	424112.3055	396586.6227	327025.634	608055.7019	683642.7552	563502.1547	1150794.118	517480.008	448348.9567	192977.134	363076.5778	596302.0156	379518.8082	389891.187	494428.7797	389927.9689	793786	431644.5566	255602.7964	347189.9763	321481.7304	458567.4082	402610.857	429409.4918	401978.1227	569590.3946	253500.9655	356108.2915	503327.8058	290317.183	322226.872	337017.6582	481658.9275	625980.3359	433563.438	388174.7406	300945.04	379808.8988	383294.7656	184811.9625	512290.8247	720553.3207	271773.8596	591419.5269	233812.2759	361973.2372	454912.3701	349675.7684	419171.1378	312971.5613	666759.0872	668316.0582	503653.962	484206.3507	375879.8707	785365.632	478240.203	240874.6083	503400.15	405580.4253	280227.125	216759.7083	774099.5947	344892.2236	858602.1612	525096.7669	639030.38	713014.3456	511383.8412	951779.115	494622.597	661325.5125	699148.9511	246561.111	378823.9899	917124.2215	465606.6987	446095.603	194814.4108	117892.1615	284249.42	621050.4676	633883.5362	451864.8986	316136.016	237411.6323	303559.178	402665.9382	1140787.322	369371.4667	752006.5827	273477.2996	428650.2606	176268.9606	1029392.716
C418	Uridine 5'-diphosphate	404.0022	C9H14N2O12P2	Nucleotides and derivatives	Nucleotides and derivatives	27821-45-0	2	25836.0315	42677.87733	29662.928	71353.356	82159.1025	18849.3	29791.51	47906.845	22568.72533	19626.6605	19322.108	26577.513	21379.995	20427.73	19529.209	29931.519	35855.925	22055.526	24458.67	27055.48733	57597.102	38303.37	44591.89333	30719.084	43621.368	31975.68	25445.1765	25781.4288	35866.4	28817.324	37146.976	25083.2395	29633.715	35999.892	66172.398	20638.84	79497.29067	19906.4505	24202.8856	45402.27	30706.191	26683.1145	32780.23467	28482.882	32782.51733	35855.925	22275.979	32332.421	27671.62667	38433.2685	28799.6865	63102.865	31024.131	27672.768	34940.4705	24614.2512	22992.16	20479.0752	22777.68667	30903.78	19973.657	38740.27733	22236.4965	31084.92	31609.4834	37798.524	37647.524	29694.06933	34729.76	32923.57833	36617.33833	36686.442	29452.376	25719.1	56326.4775	86393.382	28923.732	46294.76267	35998.7565	71360.4975	42033.939	27316.7235	39598.2915	93592.452	59820.411	43624.6745	61514.577	51663.128	54276.10667	67743.83	35045.588	32674.09067	43939.308	89499.936	51177.36167	51403.37067	56068.74	36846.975	32717.1615	44273.46133	44132.205	42251.01867	28422.152	54844.65	53362.8225	33987.786	45072.844	51402.22933	95604.558	54739.0485	30388.889	27411.385	65749.992	56433.2145	46706.835	52939.281	41592.075	57362.272	38751.2085	45111.717	29029.008	43102.45333	46294.76267	55268.1915	75384.7095	52832.544	36260.067	44121.964	38196.116	75138.135	52726.9425	26181.78683	33549.465	49762.152	87347.202	37270.5165	79830.192	64172.608	57067.959	56408.365	62877.087	25836.0315	67045.344	36316.6965	37163.7795	26683.1145	50375.688	56032.21167	47202.38	38740.27733	64584.969	61512.16	26927.47733	30587.115	35678.376	48339.9235	61936.983	31129.7325	32188.0185	41708.114	52983.476	87478.63467	64444.85	50483.741	50714.8365	71646.875	36505.54667	35763.68	55373.793	72418.7835	44937.921	69530.1	27026.867	81806.26	51985.461	46175.129	59171.28533	64279.89333	50876.608	72101.979	36791.046	29434.431	34376.96	26089.65225	23974.1172	42669.819	37887.70133	25940.7665	86076.5775	28961.7702	52892.81067	44334.78	41932.58667	70418.37	33987.786	32300.488	37692.9225	87876.345	74114.085	94228.332	57256.128	32400.357	25136.63675	31235.334	46014.39	37252.97	35681.952	31673.977	29591.34933	22861.17	22871.241	28164.942	34806.10133	41931.44533	24376.59733
C419	Uridine 5'-diphospho-D-glucose	566.055	C15H24N2O17P2	Nucleotides and derivatives	Nucleotides and derivatives	133-89-1	1	2440612.424	NA	3908485.141	2762360.132	4307045.377	2908063.095	2022259.502	3200755.667	1674592.694	1516589.316	2623995.802	4811835.403	1828013.995	2310626.412	2524012.394	3519986.018	2613344.152	5440937.805	3075685.135	2057687.414	2952089.201	2555806.481	1775218.752	3536427.093	6158260.07	4367364.519	3573154.897	3270900.78	4780497.251	2916905.253	3630684.472	1619127.304	4151848.913	4028423.533	3404441.326	4370592.034	5132258.765	2024712.559	4645490.942	3248220.57	NA	2154133.035	3972413.204	6798691.608	NA	2950392.048	3305151.294	3134017.348	1654382.158	2288381.112	3920436.48	3153574.464	3385821.114	2790044.166	3840064.171	5023689.718	5519202.302	4772652.923	5923126.008	3634493.394	5049069.082	2228992.715	2675492.205	3507345.067	4138633.692	2793879.789	4964786.472	3090426.463	4062234.724	5019002.214	4481151.51	NA	2314821.902	3626627.912	6471497.252	4376574.727	2258530.274	6192641.768	6014948.714	6616537.057	6705188.405	5554964.659	3604268.615	6589500.779	4068938.712	7744918.096	3504059.852	3470241.146	4609951.7	8527006.449	2880331.627	4375952.49	3427432.239	2312708.31	3435512.583	7092538.023	2315981.619	NA	4445066.544	9025899.661	5246055.916	3260847.664	4990979.406	5872215.905	6898887.827	3051568.943	4541403.363	4341128.203	8963260.526	2985081.25	4015115.036	6828520.423	4256590.429	4260303.344	4836661.47	6646906.44	6104626.128	11573961.87	3368705.637	4088154.42	6346204.42	12357367.42	7492739.302	5380042.367	7539848.869	7343160.553	5228401.04	3908266.857	6635914.031	5662690.636	3821049.792	4422183.172	2709418.684	NA	8578841.84	8302415.985	5271714.414	8276465.906	7783637.525	7228283.835	3457529.751	4484946.036	3645652.604	4213972.752	2909645.952	2926265.132	5832951.738	NA	4238601.179	12499599.81	6132805.156	4613684.423	3807567.81	3365673.654	6781392.082	6193974.835	1905225.804	5615729.925	2937136.34	4031505.101	4165560.074	5216410.791	3905684.52	NA	2466880.882	5491300.217	3820665.258	2184679.981	3424980.572	3240405.578	5499010.69	NA	4911322.885	NA	2565275.503	4836522.195	6342028.494	2812362.27	2895771.208	3295161.747	2204750.077	2065592.264	1595937.115	3421202.097	1799675.283	2234982.484	3595811.217	4677173.082	3731460.227	1925611.022	3113944.613	2214769.423	4446578.125	3263214.584	3396169.469	7241186.836	4027337.904	6227970.804	3131986.025	1068463.517	1856636.938	4595612.444	4698219.542	3012992.933	3785022.001	2888660.813	3654380.369	2610418.69	2715526.944	4293331.82	3137019.835	3020903.654	4142698.978	3815330.374	1367828.107
C420	Uridine 5'-monophosphate	324.0359	C9H13N2O9P	Nucleotides and derivatives	Nucleotides and derivatives	58-97-9	1	490432.2483	521502.3677	70442.1575	23780.899	54999.95667	380248.3124	180543.034	139258.2464	206714.144	484797.636	164717.941	208136.7086	164556.336	95648.688	130233.475	1012471.17	53829.10143	296552.7177	107132.534	122226.4555	54747.2128	409303.4335	422598.93	162682.5417	61479.3185	54696.19886	734979.592	281564.2036	167050.339	137023.497	316628.4935	212671.871	245749.0294	64980.13383	38118.75686	193645.3365	147455.9979	102605.6987	359742.9849	53594.9424	121507.6734	891810.1898	85011.325	225388.9596	455306.1093	89235.356	135159.66	473956.9065	354653.8843	312719.022	201503.0865	140806.1538	264669.768	335335.9975	204576.7185	279480.979	375309.8949	152558.9195	476675.7525	102125.472	40277.91233	595476.875	362313.9417	120473.568	173708.3266	531788.674	270059.5145	201658.71	142156.2053	41911.814	201515.04	131579.456	577176.3136	132813.0167	61681.83125	35869.5568	52779.49067	84695.982	61687.0485	51927.183	93871.20533	55624.5984	68791.2702	56387.576	72795.835	97896.446	57723.75933	64978.25475	66397.8708	197240.155	44643.066	48334.3568	58618.336	93712.6688	83809.698	42167.3175	109136.4064	91358.5365	72073.98	105756.033	76893.33867	50112.36733	60703.452	76645.8095	49959.45	104418.639	170753.3397	40490.35733	106898.2787	62448.508	59316.8576	85771.51375	61121.76873	62434.6224	240274.328	67155.7965	68324.256	62076.861	133916.796	207971.406	81251.97617	62875.3216	139378.239	84224.6603	103764.195	134081.584	318611.1027	61717.76	100591.733	77232.768	70819.924	186806.3568	62858.565	87215.1728	94785.167	55841.135	92661.371	183004.46	62142.465	76641.474	78474.9735	101166.7995	92823.7245	68484.78	63605.56883	183348.8184	58679.6945	73672.908	162880.64	51441.237	38066.6411	76024.746	201382.6395	210158.6714	146574.147	75542.22	71111.22725	158883.3372	372748.67	57239.562	130429.8852	130829.9872	94968.82436	56158.8885	92829.41475	64595.944	125739.159	66740.3495	302369.817	75422.748	192264.0552	188325.116	164718.9705	80595.0222	120377.95	501022.3926	69237.28667	325591.86	70999.104	56435.21125	56394.304	61189.7544	580133.349	161436.6629	582593.49	96087.8872	89329.989	749397.2951	76058.642	113484.6417	76676.0638	154069.5088	183374.5393	66179.256	94065.542	94745.37	103393.5391	114085.997	80382.16582	34375.12	92334.414	157595.3145	223485.4163	96869.76	116751.595	133261.3888	84514.436	56068.629	164757.9405	126185.9538	326313.4435	145263.42	96873.57	253199.682	593657.0535
C421	Vidarabine*	267.0968	C10H13N5O4	Nucleotides and derivatives	Nucleotides and derivatives	5536-17-4	1	13116309.52	808161.802	925370.889	862905.194	1481499.264	29827601.37	1032608.843	820939.208	1118372.231	866444.272	735140.664	1194262.986	789551.634	27024546.1	1386177.699	656848.6389	740223.6157	753354.0523	2072201.058	986204.3473	1279647.258	14279564.03	636429.795	882789.253	24203278.71	25758055.9	21525110.49	984208.0378	1693435.251	973252.1944	1092046.376	25493809.28	1030068.6	1102642.673	1819007.85	1109252.363	1650714.164	1458183.154	1033025.581	774184.32	1430899.421	795588.75	1892673.646	2129999.461	859346.304	1149742.56	15941784.43	958025.904	23225021.01	1675096.982	706068	876182.8117	767314.568	733514.132	1252915.896	28503768.76	850238.922	1393370.166	986990.1309	31251331.71	NA	958784.156	1070147.1	1032108.176	1012815.487	1329775.245	1159901.009	1233209.966	20867830.22	1519459.05	1362410.21	1080792.314	764515.974	681680.8183	1524746.7	14075276.71	700766.1814	600284.0657	1762957.525	1455039.31	1840491.033	1386991.15	2496797.567	2686560.274	1709414.562	1628333.212	1053887.76	1108878.714	1714691.695	1652646.008	1078097.345	1285898.625	1709953.097	1080130.874	948413.4	1633274.835	1694048.039	1607001.338	2000777.489	1051207.192	1001399.631	1237550.721	903921.6169	1338067.729	1641725.779	819818.282	1076139.9	868630.95	12341774.46	1649479.429	823200.0377	NA	1412572.297	2320269.24	939233.5925	1318052.552	973453.6225	2916512.768	15639707.57	1024211.155	1263382.698	1466908.696	1966489.368	NA	1684781.175	867645.281	1764073.476	1539186.623	1000276.208	1362084.004	1809529.523	894390.576	17939440.39	1440216.411	3114341.068	1296084.721	2270734.125	15138113.86	1687544.584	2419173.479	2487899.904	3101024.58	2590668.205	2385157.353	15647336.85	1534879.363	15497162.63	2793180.5	1704677.739	2416049.625	2356352.486	1293947.048	NA	20012888.02	1900605.684	29107624.14	1092231.079	NA	1841624.4	1457531.64	1427453.935	1955110.805	576634.7592	1662776.029	18491320.59	2283141.91	30517605.69	1694701.469	NA	23029912.16	1064688.268	1943104.334	2350617.384	1756957.683	2177347.124	1578492.623	NA	891380.4893	1288081.744	2422021	3022522.403	1923764.414	1303419.775	3796064.564	26339113.24	NA	1177786.115	1425836.372	38631079.64	1161542.25	1329963.171	1336590.681	1544156.562	1134719.092	1258481.686	1092793.744	1168983.619	2281197.032	2007578.362	1189334.711	1251550.903	3898885.221	18682261.95	19760279.72	1677831.426	939388.66	3787891.243	1124724.145	1514905.872	935113.915	1094549.843	1770965.625	850331.2581	10175897.91	925022.3718
C422	Xanthine	152.0334	C5H4N4O2	Nucleotides and derivatives	Nucleotides and derivatives	69-89-6	3	76890.31467	NA	34605.8368	NA	68260.75733	61278.9705	53550.05333	NA	98013.01867	57147.741	37396.1325	116740.0533	39709.7615	NA	20346.144	238259.4265	56224.38067	73228.18183	50522.9455	45727.146	65404.9595	106898.7578	30730.8625	97874.98967	47579.808	64896.222	82771.28933	NA	49036.3356	57976.5235	88492.48667	28744.7875	43441.082	NA	NA	39343.48925	NA	37272.44375	47159.998	NA	111967.884	55303.473	52935.17625	49280.6825	47671.85567	31570.56	NA	64973.38483	59339.405	NA	66380.9877	NA	NA	NA	38830.78067	41169.71167	56553.8592	37966.824	70611.723	44165.124	NA	41123.0295	55408.84383	31257.711	40240.95	95251.73667	40550.51	30619.68	NA	NA	NA	49302.8393	NA	28873.4175	NA	64848.3105	NA	NA	NA	22999	NA	NA	NA	30937.74	NA	NA	32640.1464	NA	NA	55491.9975	NA	26269.0885	NA	61782.969	NA	46138.68875	NA	NA	52035.928	55856.12825	NA	NA	NA	33554.863	NA	NA	38247.28533	NA	41632.768	48942.2805	NA	36234.03733	43162.1385	NA	28832.62933	29817.955	NA	50228.497	NA	23124.874	26898.83333	29003.632	30748.60125	36426.71633	26307.304	39505.01675	25973.416	NA	38662.415	NA	NA	47274.798	NA	NA	NA	NA	216082.535	NA	27830.3846	23841.192	44612.37133	58550.66775	34902.50875	NA	27757.504	70619.30667	NA	29869	49754.145	32224.4255	19490.618	29435.3375	85296.835	55796.0975	46112.412	25340.49	NA	63580.891	89138.92167	41557.656	67920.0416	69923.766	22308.48	42281.199	49840.5844	NA	43135.935	92201.756	43901.5275	24547.62	NA	41401.77067	NA	NA	45754.58	219542.7419	44742.99825	NA	NA	60206.1015	NA	NA	68033.875	38981.48425	57530.979	40930.39383	28256.346	126315.8128	40663.238	60090.958	NA	NA	106854.36	NA	49292.27267	55398.744	NA	NA	NA	NA	26555.769	70400.06425	NA	40683.664	NA	37604.63667	37657.464	45242.9005	49430.3985	NA	66058.719	35184.69467	47594.6555	31579.2	55660.4685
C423	Xanthosine	284.0757	C10H12N4O6	Nucleotides and derivatives	Nucleotides and derivatives	146-80-5	1	3010569.76	483564.5494	1098073.337	1398274.141	2987819.313	3688617.113	2465693.257	644945.3563	9620275.626	5835103.302	3365062.666	17888215.68	1491399.195	795150.755	625849.1552	15576696.62	7339203.141	5443937.1	9320470.912	1289447.136	1192790.383	1297675.332	1502641.263	7870427.418	12323666.91	12846371.66	6638402.545	895956.945	4087621.574	13588945.58	4048222.578	409421.3077	4308211.632	1027216.467	728666.6292	1738212.036	2899866.028	2880655.922	5076096.915	4413887.312	35288024.67	663795.2311	14824004.75	9056998.785	800252.84	1740000.591	917227.3288	781801.0347	1163691.644	1073815.031	4573410.167	2138348.826	783558.9678	2349013.325	1329500.32	1251718.191	6716301.982	1768809.367	7854931.038	14742352.63	2700037.601	1116473.734	7445975.15	7405757.662	7972460.93	347541.525	2400914.654	6478514.063	912499.437	3544540.628	971096.0488	3606526.638	403390.7475	1263605.164	1693113.246	832729.491	1426065.696	8814502.257	4770748.826	999742.7097	6147516.349	6118958.591	1964034.746	6653577.688	12404387.63	4987620.915	5622984.615	709278.4772	1801871.826	37052494.43	7833659.253	818241.1138	634777.895	3679386.321	634311.9675	14188357.87	1223347.786	1034322.077	7074091.59	9208324.125	202807.4658	3330108.605	1171205.296	4244368.647	7825513.455	11588597.12	6452732.581	1471999.856	1680960.385	1261734.297	6031107.366	1399391.421	4668072.334	5668888.55	1059782.665	6397948.455	854121.56	1186941.464	2690990.241	1370742.625	4383729.237	10558426.62	1914551.225	1693317.113	12175310.9	5778969.492	5975961.583	2908108.422	2166994.057	680359.9556	3474744.462	1292152.288	495656.1871	1914356.753	1842599.623	1101165.59	14591756.9	518638.1261	1191938.124	6794244.081	1705167.387	18986694.78	1444518	3563308.049	1725589.665	3250408.99	602663.375	747264.3587	1172014.386	2100718.603	1203361.937	1027507.378	2189832.498	8471300.868	5702293.616	3856636.48	1392996.838	2727854.565	2265960.833	2565749.66	2109763.782	6830749.246	1003834.476	6528720.72	7356283.406	703317.4842	5252947.106	13767314.22	1441076.419	2821781.728	1426869.328	3617395.412	1264878.342	496712.5573	2175726.052	12762364.33	8315777.451	552929.646	9794694.991	17878512.4	10602071.24	1109991.624	9087384.533	4763870.791	2257369.052	8779918.959	1089736.2	11446029.32	2000510.015	11205280.53	124109.1015	261933.1	3569599.296	1146675.227	4502549.772	3295492.622	712917.0132	1488668.61	1541876.82	232842.15	1133241.35	5582952.107	968167.4314	10946093.48	962677.04	859180.486	3802281.661	5309506.829	16026255.51	13977821.3	21789898.04	2791487.221	7974088.742	563665.6016	18627281.37
C424	¦Â-Pseudouridine	244.0695	C9H12N2O6	Nucleotides and derivatives	Nucleotides and derivatives	1445-07-4	3	154554.8256	166184.982	88635.4455	94775.2436	33475.676	192824.3394	22706.565	91534.19917	28593.565	165100.1562	179621.6569	231148.9167	128515.3842	72800.2816	61151.9598	383848.1596	74330.56867	130465.7333	147042.5622	82609.56164	80245.05389	192970.3935	145447.7934	186170.645	224373.6944	186573.861	174500.56	83124.0774	102824.953	171154.0469	249344.616	73106.40389	142761.718	76426.48843	37818.27778	83124.0774	29714.1075	95504.68171	92645.6328	93155.65867	277803.4225	118133.9445	156379.216	139277.4313	14476.644	79463.71857	20336.6625	133003.116	141897.9956	86441.4436	116888.8221	NA	133129.344	168946.722	99462.465	32297.65	140494.4604	119051.6317	176438.1887	270222.8708	106264.8517	166463.6739	152950.7947	90589.07733	225276.6255	123255.8307	136819.5661	120733.1536	132813.852	64512.39356	19809.7515	94576.14217	109425.5305	87890.735	87539.72178	56826.30622	101359.832	96705.834	72960.05889	57886.716	133978.6746	95256.018	58303.8849	79947.687	122168.574	108263.4773	154960.97	73411.34086	88901.97333	198408.512	186743.6094	95004.294	84546.61233	216014.458	23508.485	152723.7183	96636.78	51976.75371	135704.205	112135.99	79122.637	96662.384	111988.0076	100598.4444	115957.3104	111126.1547	113108.8794	73944.757	153032.3611	92990.6352	135885.464	13507.936	100015.0025	102399.99	146052.4206	154738.6405	66018.42133	82682.8868	119928.1387	136008.7563	103527.4696	104752.051	110611.6733	10642.736	157198.1625	131727.699	226077.1324	124460.0317	24797.4235	73353.78833	80682.988	124349.6897	88321.0041	157407.6449	35867.208	100599.2566	181059.9637	18400.641	70362.904	100857.1733	83478.94217	18828.316	97647.3952	118304.5119	106647.765	29469.076	11017.755	97916.4324	111879.9684	79612.3692	85399.25444	101047.344	184092.9955	159138.8384	140417.196	84927.436	92332.438	16782.168	18418.296	80189.352	21261.954	136184.4846	55582.66	129997.9002	74829.27733	70309.99143	110658.36	16820.58	108911.7956	90538.86729	140877.517	112205.412	86757.50967	90588.6879	125267.269	40048.8165	136513.4416	95785.60833	138746.5469	97091.71717	86141.82867	64644.94167	201275.1342	74941.6944	149050.4216	91186.18483	133706.9592	153991.7205	132746.047	212972.4576	33217.905	103905.591	15558.935	54602.50333	13506.948	151138.8472	13493.277	99553.90933	50791.856	55867.87818	85952.23	154092.9294	105347.4202	130197.12	66291.3174	76104.4125	102949.956	108239.0293	227317.948	97545.9816	152031.846	37133.79067	130128.8261	78473.472	206088.74
C425	1-Aminocyclopropane-1-carboxylic acid	101.0477	C4H7NO2	Organic acids	Organic acids	22059-21-8	1	515852.63	378848.1792	351614.6909	250766.092	464468.5	352215.3036	380815.554	224342.4225	405107.5701	290554.376	419124.0604	374823.6233	386423.0867	221238.1013	554557.18	308315.9	533932.1946	517852.84	575715.984	485612.7947	477850.6944	291665.1728	142808.6	270089.7804	500501.47	580535.0215	500019.0608	450663.8582	506636.3918	449485.09	735482.7376	409472.1152	365110.5578	409079.78	535304.8	495832.46	656769.8909	585862.7229	509804.295	593807.2902	404901.8666	289875.656	344201.1272	386393.59	485335.2931	458399.601	618479.2936	380386.01	475146.48	398886.98	356972.0922	461166.5809	497319.1545	451790.31	732728.77	567885.5441	506949.0831	476682.2851	498541.1082	583990.332	719009.4968	425743.9725	549885.39	737180.3736	494692.362	482007.2131	637421.5653	605169.747	508509.26	403450.6581	473143.49	407992.732	272297.9588	458707.8797	518964.7312	450732.2624	426085.7622	516662.0476	469175.011	442066.093	483821.47	474085.4139	628513.0148	393369.615	406143.7952	511965.4799	468736.6656	521899.1452	446787.0612	185384.274	450750.2172	373075.2398	583135.5636	323030.8026	657856.5984	388138.7167	484447.1621	515935.1004	599842.0456	219550.5	484002.6744	424118.11	509887.1951	585197.1069	439987.464	534537.01	459798.1	362366.05	401342.0305	435133.435	413085.76	522717.622	472685.8157	515959.1759	442446.73	378384.41	434074.5409	441428.1476	383054.81	513296.7119	351693.63	342202.8925	607163.8216	353026.64	649819.81	316928.1776	585198.4936	354361.04	417157.0311	389759.3533	359030.05	333673.67	350356.45	409744.2	593850.1149	413084.37	572547.6295	346195.0998	516624.7919	522697.471	581245.3236	535931.816	459798.1	460737.9508	529027.9722	435824.494	523947.9546	365675.597	425098.14	533934.968	493122.8486	746248.7076	735117.6112	641784.1738	835224.8	544586.2107	498020.682	810626.2295	630465.9284	615818.2163	439399.4689	441428.1476	480010.3651	573918.8592	598762.798	532640.7572	588526.5736	699112.8431	480046.3672	394397.21	581250.536	404840.2707	545597.237	473811.7329	549913.9121	668187.168	451261.6573	427018.3344	487157.47	515362.0923	519290.0293	581994.909	579913.56	531272.504	463171.1211	475812.29	527944.424	470122.0956	303798.924	465135.7	438069.6236	559859.1624	544545.01	680346.3828	637608.1507	502504.46	539874.61	575862.0398	520723.7442	553947.5524	660471.8208	567841.5486	589923.628	637169.4204	653371.6838	552573.6027	678233.6478	642449.7898	582582.36	610885.1609	563226.2321	589855.0322	633977.2989	577208.3282	426751.3782
C426	1-Methylpiperidine-2-carboxylic acid	143.0946	C7H13NO2	Organic acids	Organic acids	7730-87-2	3	454896.5508	556543.4508	1463819.59	820918.327	620703.5508	380696.652	480848.9508	578971.652	521826.7896	359737.7508	515397.6603	547171.7508	374207.652	658241.1615	584101.3896	436585.5884	523974.1896	362152.7884	413862.652	457059.2508	800217.1603	547595.5896	494546.0508	465710.0508	426380.7513	387131.9508	420293.3508	416629.4796	503917.7508	360608.6544	308385.9937	241233.1896	503321.2448	650312.1603	582565.9948	365782.3896	359687.8496	488899.9896	320686.9896	377898.1884	565090.3944	470223.4884	438732.6884	370792.9896	333785.3508	390015.5508	487689.9204	205465.1508	375035.3884	486130.4937	607637.8884	513237.1896	270543.1884	310709.1908	265570.3896	304223.5896	294202.3896	213157.25	243380.5896	295577.6508	486470.91	332139.7896	196093.4508	289191.7896	401605.652	450246.7896	499095.996	319367.3508	395782.7508	452394.1896	326413.3896	288328.6496	222045.8508	264854.5896	326468.0228	339717.2184	413740.9896	185305.652	445236.1896	374319.6884	269827.4884	349318.9896	301344.8508	497489.5896	360055.9896	354280.0884	198977.7196	186747.652	458056.5884	289049.4496	317063.6884	627049.3896	532489.3884	474360.8508	315762.8508	406181.1603	449596.1137	430577.7862	299928.7896	242924.1263	324220.6884	426565.7884	299928.7896	241915.1884	388175.658	178933.5884	236142.1125	297740.3508	413025.1896	335671.8884	247640.7884	239783.91	257696.5896	395845.9896	133407.25	308518.3896	288435.6884	420840.1884	362203.3896	231282.25	266248.9884	297781.3896	433783.3896	458843.9887	191842.9896	263422.9896	259637.4204	413299.6612	306036.8228	211232.3508	263325.5362	302076.1896	450183.8884	319255.3896	372172.5884	308518.3896	283322.3508	336668.9508	354691.4508	260974.4508	250538.5896	186332.25	321402.7896	301360.3896	193223.0137	483106.0884	206632.25	338063.8496	297781.3896	411536.0884	322632.25	376466.7884	275591.5896	266286.1896	307112.0508	447321.0884	312813.1896	328560.7896	311338.0884	311381.5896	427341.1896	193930.7508	277738.9896	376519.3896	229254.8508	390835.3896	348554.4884	172303.7508	340729.3896	525620.8625	284764.1508	314434.8637	273267.652	303782.25	338831.6508	188979.7896	331377.6884	385824.7896	463066.4884	376466.7884	327799.1884	473801.9884	293445.5884	376466.7884	287044.3896	420183.1896	247384.91	380814.1896	534711.1896	357908.5896	316832.25	237807.25	225482.25	343540.8625	329807.4204	170861.9508	251934.9884	339297.7896	420840.1884	385108.9896	286328.5896	229780.3896	344260.2884	375803.5896	318539.5896	261954.7884	324265.9896	368594.0884	340040.4113	241199.4884	164610.6263	390119.5896	241510.1508	332872.1125	261239.0884
C427	"2,2-Dimethylsuccinic acid"	146.0579	C6H10O4	Organic acids	Organic acids	597-43-3	1	739753.0452	354028.164	380799.0928	341112.1452	773766.9338	865392.4452	634021.164	536120.6464	758197.164	527369.7324	569350.0387	581027.0928	645338.2272	530745.4452	958666.4968	550026.044	881784.4968	671035.164	1119606.745	896074.2464	910012.0452	899374.3956	451415.9088	398060.8452	699243.1452	669888.1452	417535.4968	1084967.845	927756.7956	813727.6452	961842.89	695967.1956	634075.0452	546597.1452	621745.9452	1306304.545	1367092.696	787308.1452	558202.164	817250.2452	382274.2464	677932.2312	276190.8968	381622.0452	913128.6968	684042.5387	836179.8464	669888.1452	395818.164	538469.4464	311462.1825	579733.3088	779808.6464	339376.872	1191820.045	881353.435	589041.4968	620677.4464	484281.7956	580061.8452	924102.4452	586995.0387	535293.2637	972666.044	703939.9452	491493.4464	1190885.296	875722.3956	452661.1452	276600.6312	755146.2464	736844.89	615874.9452	1100024.389	1166574.745	578300.5452	600712.6464	721780.164	704786.9325	608727.8137	713333.5452	600899.1324	832511.0588	607493.9325	545795.9325	734317.164	595195.344	480142.6956	584211.4956	485538.7452	554229.4452	532948.598	985448.8453	404038.0867	1177142.545	539955.2968	738540.7956	585445.4464	468592.6464	329551.164	615770.044	490194.7956	629931.2053	1082619.445	683978.5452	802079.9325	530745.4452	631107.5387	698068.9452	708049.6452	487238.2956	669785.1825	659180.8437	884541.6825	686861.42	498867.512	665179.3088	797079.4956	597189.4464	1136098.164	370098.6773	529942.872	812453.2956	444664.6956	1287629.684	677635.8464	858719.8968	514893.7452	678199.164	663668.0138	681793.8087	351728.372	927467.044	912947.5452	1147200.445	430351.3452	655909.4464	613126.164	878791.164	682979.6336	846964.7053	892457.8312	892429.6968	902702.0312	989476.4312	836624.5452	797670.7956	712867.8464	703748.6838	770700.2748	690694.4338	1124659.696	1409760.265	917363.6838	1612183.645	619689.4956	825658.164	1480595.431	805058.2464	961041.7547	685439.6968	811407.8968	687805.2968	601783.164	697783.2628	607156.164	597604.164	1231618.164	1059553.832	709243.164	781705.6956	686914.0452	570020.2956	582065.6156	612851.4312	413743.3438	713899.5628	863086.752	826643.8452	439103.4337	407161.164	667066.2464	574321.164	626785.0956	726140.2312	589696.4325	658715.2956	388491.1956	619952.1825	316417.164	454844.9628	527222.8452	584470.164	777301.164	693599.8312	502575.6312	407654.5587	1027019.846	634650.3324	585734.4312	687800.9824	510196.9452	331939.164	759057.05	715810.164	861868.2324	643797.6336	653984.8956	304526.5956	827170.6838	627916.4312	902851.8324	895826.5956	988069.3956	629741.5956
C428	"2,6-Diaminooimelic acid"	190.0954	C7H14N2O4	Organic acids	Organic acids	583-93-7	3	115985.694	132381.9709	65608.1195	47598.012	53441.72167	90831.382	66195.766	56902.096	60737.732	93547.41288	56900.98662	61816.5765	70117.51286	32411.0544	77195.32	47053.02788	63461.28425	86363.87067	60457.67433	53319.65	59792.7725	52363.58833	207906.4654	71666.09538	76049.318	74948.293	150993.542	124063.9346	66735.5955	44321.236	89718.86525	59383.08889	45963.168	41586.504	106695.7286	105031.6899	49070.8485	112818.4344	57642.82556	55799.082	55279.43337	77677.03125	60089.337	68932.9795	32398.448	49786.14375	32033.979	44318.54613	46505.312	51993.3015	62910.54225	79324.5565	91222.209	77691.25	71918.88	84794.88588	42081.4774	39394.56675	80975.114	190484.288	118709.5621	120973.776	83700.82	52744.69833	54167.364	111607.664	52611.024	62361.4432	51611.08267	54163.77313	79324.5565	42675.3985	114427.6813	59091.794	40083.0345	51346.23733	83700.82	62372.926	56687.60587	77139.1565	83153.10413	70908.10571	73414.14167	54710.12313	77181.7315	54521.20267	41128.867	40490.972	70500.2808	46649.384	64563.99	112145.1669	40244.75	91131.51467	94093.76288	26033.358	74108.68	44878.58	65101.70013	172716.96	39480.9099	35143.89333	89685.16013	48148.45962	44342.88138	64241.82778	65649.416	22227.62325	35093.24	52520.6255	36660.085	166779.1407	62456.66325	64099.48338	76649.88933	69100.56667	54712.85488	49126.493	136772.116	75571.756	71794.24633	42111.31667	59792.7725	41036.3485	94357.552	56350.539	69205.74925	70714.76533	55070.69633	45411.24613	34170.37725	64009.00013	54903.424	59385.78444	68931.61362	59086.38663	90554.3282	39409.81633	44863.53025	155355.9884	79395.06044	101947.3161	58466.958	42675.3985	96166.33556	79888.33233	44864.89613	26616.99355	96281.89463	47182.6376	44470.9762	146837.8951	57444.60488	156996.4043	62078.91733	55066.15667	60735.092	51787.52525	76110.82267	55939.70236	62883.79725	96071.39733	46966.18333	82067.914	80427.399	67253.152	186746.17	56834.32857	46430.94444	71578.1136	197070.3413	58462.8	72516.994	42676.76438	63468.458	94350.3834	71990.6	39692.077	66033.50286	85888.95175	63688.02667	67857.53875	43925.75467	136213.2502	63467.092	73854.22713	82606.75413	91906.997	61820.86837	129647.4891	21967.67467	45956.12175	51427.9255	57987.0135	71827.065	62904.317	45571.92533	53068.34137	55061.617	69636.98222	107232.366	73855.593	49665.55967	93555.974	77403.49556	46549.09029	32481.58571	75522.16267	117667.472	48581.403	138425.3479	53622.33	49963.54133	106333.5953	54770.6866
C429	2-Aminoethanesulfinic acid	109.0198	C2H7NO2S	Organic acids	Organic acids	300-84-5	3	8313.18375	NA	14376.27412	10933.13444	4698.348	34645.9452	13269.27875	7607.512	24171.7905	11280.05875	8187.09375	30861.43375	15638.4144	13060.18375	23071.6968	20495.6312	18931.8968	14138.88875	23249.09283	16830.7315	16620.43375	34302.4956	17537.09375	59004.09283	17482.6312	24665.2452	15787.345	8445.0324	16952.71875	26702.1825	11297.088	15593.22517	16098.09283	25145.344	12004.8	12522.59283	19290.21875	9283.48	21714.03	17885.84283	35773.34517	24440.92617	14200.6968	25632.7595	13017.8968	17157.6968	18993.93375	18820.52333	5352.253333	13455.84533	23249.09283	11873.43375	19587.30875	5270.7615	13060.18375	32054.935	9541.96	18484.344	14394.39183	25521.05875	29075.1825	12911.211	25327.51375	23735.9325	27600.7452	19971.8464	21627.71875	26382.72517	8861.043	32041.4325	6386.2315	27099.89	13325.66625	24594.513	35600.9325	28187.8452	21960.80875	26538.03	23142.6825	20197.68875	19587.30875	12522.59283	20180.68375	24922.4325	32634.6825	32683.92	29668.4325	8773.345	9539.95875	27726.8312	9451.543	26313.97125	11028.2315	16975.7615	16027.05875	13532.53867	13606.9956	11751.0464	23740.93375	27141.03	49245.6825	17154.7956	11768.03867	23976.01067	42728.93375	23735.9325	13325.66625	14120.70533	8703.48	26683.48	33315.21875	12464.1825	29808.96875	16023.6825	27141.03	18993.93375	26228.67617	40215.4956	26431.0464	16983.013	23735.9325	34483.96875	34893.7956	6028.152	32048.18375	21367.43375	6474.538667	16620.43375	15448.752	12422.77633	17404.8	19290.21875	13650.6825	18479.175	18396.6825	18481.7595	19384.6464	13076.42	17083.26375	21965.435	23840.95875	25036.84283	33322.345	29208.2595	20865.42617	19381.3452	47646.20533	26322.17867	15502.17617	47839.1748	30400.09283	9794.1175	22099.8652	15271.6452	29804.17617	33315.21875	17917.164	21098.2312	10855.8324	28277.89	11996.72517	32976.3085	34179.893	69259.164	37842.943	14787.443	15081.03	27683.01375	12925.4464	21499.164	18928.6956	14840.30875	18705.84375	12634.5156	13360.02333	16792.0585	20487.2615	26509.88	10042.043	44112.344	22383.13875	26232.344	6653.373833	10864.854	15430.4325	17210.1825	7201.391833	23985.0585	18396.6825	15316.63875	11945.1628	10093.30875	18429.088	14335.164	19587.30875	6531.6825	19304.17867	22060.344	7680.043	15674.8312	14772.1824	21362.9325	20305.164	16703.3475	14138.88875	7899.523333	10210.46933	11327.58375	10797.89183	49428.6324	20495.6312	33758.4324	37258.9956	28980.7956	25432.9956
C430	2-Aminoisobutyric acid	103.0633	C4H9NO2	Organic acids	Organic acids	62-57-7	1	2745568.635	3977585.366	4700410.467	3573977.115	4004530.001	3926209.827	3041623.818	2864143.683	3080884.821	2939337.2	3823124.613	3736073.96	3145697.05	2548476.337	3084974.043	3695505.617	3053766.41	2748840.646	3988185.967	2615959.025	3825840.967	3193878.202	4903945.299	3439802.836	2043631.25	3047292.906	3931399.458	2988845.661	3111289.355	3491062.667	5056276.374	3839316.93	3304593.7	3201136.372	2211142.85	2756125.667	4116574.133	2455516.817	3404171.621	3834645.791	2020754.754	3114998.092	2240660.382	2350009.537	2975585.391	2938715.253	2762163.836	3103846.867	2375921.983	2239078.352	3217627.639	2511396.833	4063076.079	3124357.833	3184588.376	2990017.017	3074421.829	2654884.533	3291153.225	5121899.311	2881240.6	4148422.304	3566064.508	3555407.856	3635145.5	3019102.819	5532294.536	3895645.759	2794978.984	3443735.432	3783701.673	3243595.289	3693613.774	4296983.8	4686626.166	2328823.362	4455350.882	3657426.88	2518980.833	4186402.62	4088954.295	4298764.584	3284326.885	3145788.809	3041765.1	4018150.605	3216316.274	2736895.709	3722604.981	2750502.668	2149472.338	3263533.218	2557635.614	4477113.51	4555168.998	3127626.379	2698907.292	3039153.051	3417096.246	3224798.825	3440565.867	3548212.583	2848231.129	3407906.689	4233947.416	2649174.825	2141428.957	2945025.504	4512414.226	3654242.132	2787307.154	2425856.302	2365812.153	2954846.217	2741665.377	3352494.182	4326020.747	3610180.968	3162170.278	3202576.684	2886555.955	3635910.413	4701692.85	2812282.817	3333127.183	3818228	3828870.061	2887352.471	3707752.581	3659142.352	2858448.026	3669057.332	4795362.711	4366619.811	4713299.17	2430307.075	2886892.993	3737410.263	4043815.133	4810116.862	3998671.742	3118424.933	3543995.3	3290680.582	4271411.944	3627508.155	3557550.343	4414426.573	3531142	3356954.672	3864116.467	3868318.015	5226653.67	3227102.798	4014238.45	3926621.267	3193468.536	3461721.481	2676224.356	2850600.823	3817936.888	3509889.683	2577181.198	3390379.8	3179857.537	2877175.497	3239778.595	2602201.02	2432381.033	2233077.022	3010026.273	2976734.361	3526841.767	3989372.398	3295729.573	3585612.5	3117926.112	3685909.243	2169874.456	2818541.378	2465043.579	3807426.028	2589559.453	4128091.542	3619404.75	2578144.125	3320317.564	2670870.944	2591455.293	3283379.567	4103683.918	3586385.543	2850570.768	3145220.941	2363846.166	3101982.624	2748746.819	4221193.363	2335472.13	3200322.917	2663103.167	3003788.644	3069124.03	2719241.883	2613164.633	3141574.87	4070231.558	2676849.167	2544052.711	3975605.444	3038101.58	2465042.262	4673773.539	2441433.788	2754526.498
C431	2-Hydroxyethylphosphonic acid	126.0082	C2H7O4P	Organic acids	Organic acids	22987-21-9	3	97458.07875	231343.776	48379.092	57801.7212	70435.2984	133378.6212	90079.776	63638.424	66838.865	134648.8212	77095.7088	91476.4224	98231.1044	283897.3212	109232.71	153920.8418	102149.3088	123046.812	82092.09067	53457.09067	70503.7212	34628.12933	167317.722	36147.45375	79395.1212	63517.6212	124633.3088	70352.32875	111142.9088	53356.0212	56018.365	130435.21	79567.592	117036.174	228643.6212	73819.75733	11334.777	117757.592	83371.48875	95272.6212	149279.6224	241345.6212	222920.5088	243471.6337	231271.7088	94627.47	91476.4224	125757.4212	156199.8772	292153.6212	60456.75733	112663.7587	117726.7573	187634.5462	89115.092	198190.0224	123990.9088	111785.2212	142273.295	68729.09067	67456.424	135978.295	180533.0147	130817.62	116395.7575	214561.76	71314.1088	71193.13067	127659.2575	130838.2212	103091.0907	105968.016	101377.7575	161403.536	141907.424	122027.5075	120041.5212	103687.776	61093.09067	88951.51375	38403.277	105000.0907	80102.2575	52579.75875	89488.5075	70273.824	86377.00875	87689.94	99579.7088	198762.62	94207.092	56650.04375	47742.592	49653.365	120873.174	40286.29375	59135.4688	111937.6752	105434.2212	88062.516	120800.1337	57890.6688	137839.4188	54107.592	92009.88375	132108.4212	76854.7212	55391.29375	67328.2212	69575.5175	72205.8688	158946.7575	104065.1772	47563.2575	78047.307	100146.2587	141552.3172	47309.8688	57586.75875	97390.865	98874.7575	36500.2755	89377.54375	132201.295	34367.09067	94494.5075	38403.277	54107.592	60919.776	134774.1813	94637.5212	165772.71	50925.092	76219.6212	37548.75733	131473.3212	121311.7212	116187.536	53912.68133	121946.8212	140072.71	51450.7212	69183.608	80030.2212	92295.07875	39017.174	217747.4076	155818.0075	125122.3212	88783.776	92909.75733	150971.7088	70918.49067	128436.0787	72547.09067	109539.295	162057.3372	44735.22286	67974.0224	79148.1372	88118.79375	99579.7088	86877.295	55908.4372	103755.865	137490.365	62215.776	97207.776	68747.092	48284.016	147140.21	50275.424	148568.295	43823.756	195618.4212	84988.795	66838.865	58564.365	92691.2625	95907.7212	160147.536	42809.777	94189.86375	122706.1088	144153.6984	62607.82875	92513.3088	110955.7973	191645.7025	323604.5132	121183.776	92982.76133	148310.865	88811.1784	127027.6212	193713.1212	183522.62	36922.092	116902.8236	128953.2224	213166.8748	174797.6272	133034.865	66837.592	137463.3638	137210.8224	148946.092	174377.795	281378.9088	113055.4212	157512.4212	167700.4224	399000.21	100864.5088	261464.5088
C432	2-Hydroxyglutaric Acid	148.0372	C5H8O5	Organic acids	Organic acids	13095-48-2	1	587661.3275	775676.0733	637009.5051	643618.8911	617244.7414	295483.9484	416411.104	596010.636	543892.7734	665624.0356	636804.3736	497243.5343	521512.0286	666620.0775	619824.3444	245954.688	575892.8134	578379.62	383618.6995	582770.0775	561399.4277	465983.4945	527009.5057	536991.3028	824559.951	609518.3028	305891.5785	485687.2661	441535.0581	589164.2048	464447.7722	526745.2497	515763.795	643746.636	211167.69	505952.8286	400679.4945	540194.6411	463527.3029	506208.8914	568896.8297	695828.48	558307.1247	570942.3911	474102.9309	555096.2445	526530.6777	966301.451	451950.212	887504.4536	520139.008	506922.4484	630279.3189	603933.3669	517180.0798	513333.3611	696477.9997	426210.32	850780.4998	582822.2036	611473.5161	610166.5097	494070.2156	428948.8222	520001.7486	496125.1995	439999.3029	509566.3081	580630.176	1008751.951	548210.8223	613967.0906	376520.9669	454752.402	417467.6984	797286.3275	462195.0734	486114.1189	543467.4473	448740.9937	622694.0331	645781.8027	504165.1973	503534.0109	607979.4536	564106.0575	464228.1359	774330.6247	857794.2498	1296892.578	492013.3234	478908.2445	537418.3859	452069.3669	456198.5057	520355.6809	761004.4997	727986.636	529013.6411	701475.6814	539311.7486	539400.9309	637562.4998	468294.2609	415162.9116	408279.6057	554309.4473	883043.7498	458528.532	320540.64	494553.9945	532460.0775	636513.5035	480825.9225	578273.0223	900862.4548	537242.82	642414.8736	446608.2609	480004.8075	524542.3234	371586.4457	446035.7314	690866.9997	325580.6309	577231.7036	429984.3754	651468.636	464962.3075	528093.3743	598754.1943	794015.05	509793.6777	574385.0775	612707.3789	616492.0527	719853.8298	820678.6473	543633.402	504211.6984	924252.9971	606728.8027	569381.4945	553030.9278	722514.1667	614262.636	518791.3796	506875.6972	900583.6357	736363.6472	679953.1778	910533.8096	401247.2109	759556.2608	413200.9225	768086.6884	465776.402	556517.8027	518208.6164	657611.1461	679305.3222	827424.996	527493.6259	693565.2109	688385.8406	826123.753	772197.5223	359633.5097	477488.7986	711992.4394	488273.9383	767822.4278	678302.6884	1112966.505	539780.8028	453058.7445	1102530.267	566373.3909	904486.014	582320.6778	862181.1894	531110.0786	472483.5575	491107.6184	562147.1789	636772.9914	313315.9935	275024.778	1318715.356	885171.3578	492950.9939	615905.055	1189971.997	600054.3972	470603.008	1343536.553	1419983.711	781277.2133	719897.0561	694025.055	730457.4411	720046.9581	746771.753	590509.1411	816841.1894	823985.0108	816252.888	1021242.213	867210.0596	419003.008	536341.9914	497982.9289	585660.7498	435372.2445	617979.0634
C433	2-Hydroxyhexadecanoic acid	272.2351	C16H32O3	Organic acids	Organic acids	764-67-0	1	605969.4023	773219.8267	268767.8033	473528.1018	201465.7276	576819.5377	503642.6931	278396.2108	395429.4886	394486.1917	383468.444	353518.2608	338860.8948	211124.9043	554025.675	1530089.725	220090.06	395796.378	251093.5098	408992.376	286216.5693	493750.7123	414489.645	622101.8908	256235.5806	326103.9706	870097.9655	303807.296	542143.9507	516747.2843	1557057.063	583154.6404	378992.8443	346523.9072	219185.7043	388306.292	476717.475	440509.2155	398796.3828	192262.5846	300548.1994	508999.2104	170307.8317	245330.9088	402679.6588	244057.4013	282960.6606	405501.9182	748406.5188	283771.4395	272230.672	214115.6903	531434.1569	476118.83	474517.0288	365944.0993	618952.6914	369289.0124	1064716.656	286074.237	416252.4676	717554.713	459096.235	357716.6728	341678.3726	699167.4703	550646.5331	391214.9262	236190.1567	437575.5769	311328.4607	366341.7235	667735.0131	659770.2605	292961.7965	254271.4071	252392.2365	229007.1624	239805.0065	279895.5644	407965.4645	373523.1245	240813.9113	297300.5344	294556.9653	352287.9264	328845.2523	262848.2627	564276.189	301256.3504	228977.7105	241895.14	265696.3755	472336.0683	408184.4442	323153.5987	291489.0398	412683.8116	427837.898	432047.217	344947.2046	383118.5699	372289.7858	469668.5887	440530.809	374913.6562	437080.1738	443714.424	992120.1008	774292.2189	393494.8984	406764.2709	376497.0295	561874.6992	442562.6622	381974.1771	389155.5888	579069.2213	681200.6638	483006.7025	458611.7411	539880.5065	465086.1657	322357.1542	982488.4306	478012.5918	598049.0464	349430.6415	504790.733	321370.812	408952.092	606688.074	408739.2016	369543.3828	509188.755	343410.78	543640.392	522584.3363	540415.6193	427851.3797	437866.6703	500808.867	602922.4849	458925.1863	467294.964	337937.5069	422108.613	527184.6148	488725.656	430168.0819	650283.6517	440449.0072	531466.7864	407837.4701	518809.7966	342146.0909	311036.361	584945.4069	440230.0608	331602.9015	476142.159	365225.3854	239312.7	502570.9892	353988.6542	255662.952	562070.7148	372336.1531	591498.9657	234492.4041	575857.6311	378209.3093	314628.9194	315916.5843	463083.8827	585855.3905	360822.4731	574312.4972	401380.6836	458801.1136	266551.8928	328258.6037	730648.734	432202.8981	575245.5338	276018.1142	461024.6332	556485.8972	364671.1922	532104.104	404359.8537	431020.9763	439406.5695	317387.78	266635.347	375981.435	306023.5522	351210.3498	280321.1079	327238.8808	264341.7062	673912.7972	600910.5538	388497.9872	493715.9551	438643.5271	354545.1938	377712.4223	399126.1832	455126.1972	447796.545	545960.6928	2096311.243	512861.9758	575004.2265
C434	2-Isopropylmalic Acid	176.0685	C7H12O5	Organic acids	Organic acids	49601-06-1	1	1296278.661	1946647.674	888259.5748	3417978.967	1356166.134	474100.8863	230386.032	2055892.334	330537.7313	1411284.949	661561.6919	636527.6913	1083982.264	1172430.234	524977.9705	3931777.419	1422091.247	464788.4885	191362.7291	467891.9977	920762.227	913115.6339	664138.3165	1180037.598	3952625.38	2901609.211	1624747.594	499833.9076	172192.8088	1193355.499	544274.8165	565721.7732	1022043.499	1544004.987	704825.92	855497.0355	747975.4948	1395328.453	256679.901	480654.3404	1238724.091	414761.9829	1925763.714	1628405.312	580866.9789	400550.934	676963.2422	3174677.905	673460.1294	4508678.899	1636661.191	645412.0451	2316909.594	511580.7009	920326.9985	2218013.545	1098604.83	300507.2923	1645849.721	2269301.187	894717.0355	360475.12	1007344.519	245819.0089	1861953.84	1059517.999	629103.1691	550712.4022	377333.3162	4986206.03	1132520.271	1683968.929	139537.32	861662.992	524792.5748	7847456.233	1225502.604	381599.652	1837072.488	691662.7718	1151608.036	541046.7868	480977.3748	433111.2704	1112878.286	1032969.601	393287.3178	4103193.182	1089126.256	5864094.922	197622.9542	1027643.984	1045975.273	418435.2235	838317.62	604051.6213	945953.91	692383.7193	1509000.286	1779581.938	2867419.391	556658.1748	754600.9509	670604.3844	669172.3392	169637.2855	637564.8622	4476467.302	1440237.681	374470.5397	1545898.36	559690.9733	1435203.802	438072.4349	910442.8856	4570214.815	677046.0355	1819961.753	429344.8747	912541.6799	587186.5413	944203.7564	1385726.658	1699679.701	419660.3424	3275430.932	1229840.551	1733423.611	1045243.624	1588181.436	1585819.078	1272543.169	1008077.313	633671.4076	2813225.05	810700.9712	2572352.536	8435971.163	2947924.2	3537686.243	1424486.017	402890.6267	1757706.371	1208971.018	714118.8714	1021938.612	524050.6687	588615.4491	1114239.467	2109875.809	2143244.994	2411887.916	1522624.658	3378899.276	597706.485	4198485.825	488388.2396	666063.3078	1207956.187	2155026.007	1899482.719	1259788.501	289880.1295	4865555.12	2465343.902	3981533.308	1622111.371	197404.2086	530002.0903	1976948.453	1032907.43	2854107.721	1361276.5	2915186.75	466637.9673	808114.5009	5426649.31	1182973.037	1447747.025	724731.4988	1804935.25	88207.41038	253548.113	261067.3927	738189.7418	1060165.278	2134177.099	2470991.908	7280839.825	1354944.095	265305.8712	1510664.624	9805668.239	342605.4389	260982.2796	4819155.485	2498648.943	3283467.089	2608027.217	708894.5742	972224.0116	2961957.226	1198634.902	1354338.957	1220670.351	1170153.262	1101245.937	2288615.744	1194001.201	171373.3187	651210.8991	499375.796	2142156.371	240771.36	1015099.406
C435	2-Methylglutaric acid*	146.0579	C6H10O4	Organic acids	Organic acids	617-62-9	3	274616.5629	646709.8598	268554.5077	278903.853	251552.0058	343446.4663	271787.0801	463109.6526	282673.8058	272388.039	NA	217226.0025	241193.869	275931.396	251560.86	279610.6533	189547.3478	224685.775	339873.9162	203371.7633	331801.1205	302423.0967	554268.816	521425.3109	261473.7392	287466.3215	434830.3655	376783.9618	261075.0035	243595.3239	NA	158006.6073	285161.8731	234031.1358	173871.037	NA	344330.8814	430865.5933	275047.1632	261838.7985	293512.4836	446186.3129	294238.9824	312424.9237	234635.86	202947.1473	173567.4767	233360.2865	250244.1369	306615.2051	208655.7017	189961.9939	302718.1857	176357.4945	NA	304506.0673	271270.6212	193539.7844	214543.2805	379270.5556	367496.613	242149.835	286377.78	NA	506349.624	358908.4203	378769.7709	NA	217890.9145	265047.698	213223.976	231512.7255	503150.2665	278690.8331	463498.068	328034.5287	262464.4088	200975.3105	NA	193984.2542	278870.5253	240271.7625	444274.4047	305719.5601	259214.3345	208744.7359	NA	243938.445	314809.9958	207393.0656	395253.8367	182416.7382	248935.9876	487729.4624	452432.073	195118.4136	310880.7545	289267.525	219886.32	452489.6739	332090.7974	283452.68	220466.5024	259237.9794	353018.5462	387995.1999	224163.2193	269505.0251	404086.316	530506.0558	358935.4282	419650.7956	256075.9377	260966.8676	260481.4036	333971.4966	242109.6	230650.8295	352683.868	270061.5862	238033.8393	419064.2375	293513.988	260046.8136	283429.1594	414366.614	384061.528	209502.8267	211962.2438	292554.1418	179749.9234	354554.0638	219330.335	252845.1364	246839.7898	277112.0236	639358.4764	332464.5973	322841.715	542030.2636	300889.2127	254689.5803	260734.2128	288337.2287	314735.19	315077.7987	432865.6622	290856.069	402817.041	335704.44	307792.2476	311398.0489	395865.5655	393481.8132	784750.77	241304.9114	354842.6953	382888.5932	298301.2919	335793.1377	533266.3028	454062.39	357829.8164	338376.2585	359280.0404	283584.8068	331455.9556	NA	321825.798	281761.8764	396498.8412	387625.688	246171.335	297517.0058	337805.4535	293833.926	275644.9895	412005.72	299044.49	326620.7378	312795.2218	294810.992	222122.6205	307624.7109	237893.8111	273297.8852	281836.7727	263493.2625	307202.1571	304817.6209	269874.02	326771.5328	350612.108	NA	289960.363	299461.54	251555.204	307257.2973	216930.7942	299408.4534	398847.3349	322541.2286	339309.6909	300508.5147	252576.0836	188255.2467	238936.5084	311410.8844	226297.3145	281175.7953	322625.821	275394.064	475401.7395	280006.5164	257444.1264
C436	2-Methylsuccinic acid*	132.0423	C5H8O4	Organic acids	Organic acids	498-21-5	3	63604.84679	164921.52	81725.817	98688.108	66016.85494	81524.448	65394.0672	104382.1584	49766.83833	78891.48887	78264.45483	95483.9743	93872.47133	80372.21225	58094.4236	68876.0415	29222.228	77750.88113	74794.0224	81031.37075	78704.50933	99511.86494	34903.842	177822.4907	69441.8053	79524.67133	88540.22257	35357.373	73070.98667	84385.62167	110150.1853	27709.152	116492.5922	43269.73	49360.1375	29151.279	71236.31	36722.258	41701.9312	69225.88487	89576.88753	91166.2101	28172.85	54799.056	68122.06024	94738.80487	61653.79827	70526.96459	65878.42492	67694.16427	82533.85725	39393.40667	92296.15547	59470.39257	60889.81429	48220.4616	103284.6453	29495.85	69999.13108	118488.7428	95389.69365	23604.4116	73425.85971	83293.06587	88342.30167	127281.3384	102567.5927	62880.43353	91829.69062	63937.82875	56389.68571	76421.9106	58712.4694	107119.5941	144877.0064	83724.58182	120669.8544	54807.49967	54032.44786	93181.69733	63664.506	36777.0988	112536.8676	69385.51165	51596.91867	28275.50967	126622.3828	74771.00887	104966.4704	46035.63875	116033.1413	81752.67787	95812.89033	65491.7295	118905.296	85743.25067	90452.4192	94013.80463	69855.67708	94899.361	118150.48	89382.21667	56784.9924	91204.15947	120232.3352	66315.8908	115825.968	75807.65829	107540.6887	139474.8259	91478.395	107865.308	93731.81025	78322.49083	93624.33071	97568.9026	133435.344	138669.3173	147758.9981	120718.6759	65274.7326	174350.4002	72087.29733	131496.344	47085.3575	124338.1933	102428.9413	81825.8265	55663.83817	48092.73933	72942.43667	128870.7738	110545.2015	102404.5675	56306.9232	63200.2245	159320.3995	116158.7648	112628.6243	95618.7575	90085.56207	46974.02625	93754.86633	62183.457	99277.23486	120884.0371	48253.803	99628.9785	121031.1984	85658.41071	102899.0564	53080.85667	116611.5379	76057.23	57421.49	98962.27646	33084.162	30120.967	89491.1238	46547.992	113202.5149	68208.5712	74448.34467	56128.48214	110193.2694	104957.7292	79637.65429	52856.23447	93439.79507	117399.935	55673.585	116149.4636	137157.559	108127.8097	116756.2194	110650.222	81172.3995	172467.554	47270.452	27860.772	64582.0956	72064.0324	53634.4064	58610.66625	54133.119	90275.97886	98044.53943	65667.88267	145887.3186	68520.68571	118414.3131	67874.3	51117.85714	63099.34529	50817.36533	83562.40367	91225.51533	53263.2435	84795.59208	94054.58557	46594.928	82554.116	39543.541	78040.1536	60497.7576	91377.806	100962.862	103076.0052	108276.8239	56839.293	104563.4772	67878.14527	130171.9461	45334.926	85132.7654
C437	2-Picolinic acid	123.032	C6H5NO2	Organic acids	Organic acids	98-98-6	3	479198.0655	494215.934	111549.7845	405806.454	407128.02	245305.9947	644721.084	738288.108	227222.975	180485.2665	265105.3207	2089981.637	173381.3235	329126.5787	149937.615	2446919.992	327633.02	206212.195	1563589.608	160149.1827	392717.9025	114892.8165	324557.8255	540611.7255	283676.4315	466590.706	364725.207	89676.006	680477.2	94820.00267	510893.0695	1827713.382	195872.488	209404.6663	299826.6973	74994.704	86067.2295	169890.864	269917.368	416326.9827	283371.6667	451006.4	481108.314	134901.678	170062.0755	416103.102	280507.5863	300316.497	177606.484	317301.236	68231.31	262899.674	218079.3577	455603.2	484141.664	80031.959	423304.22	112262.367	906841.622	382508.308	504247.5927	566241.493	201148.352	103008.34	112955.018	4870572.793	234470.349	247870.502	1813658.364	252882.24	67437.762	1302440.448	274903.0515	1210785.152	317934.1935	1638173.315	425941.9887	184171.985	274105.5573	215159.868	263967.45	216413.505	379766.772	343923.036	193865.168	250715.583	160431.2325	155366.484	464157.54	1355601.979	178053.0127	246494.556	140502.475	349193.495	431510.6	198448.866	373006	373543.76	206804.367	2723009.643	463739.661	447416.5273	363938.427	147896.9415	342306.1687	118128.4893	257355.252	132586.497	241897.887	202626.7333	172879.182	347179.4865	816939.39	281587.0365	500131.1	311697.6253	168137.282	75932.228	304367.0213	547858.43	1021020.821	270953.748	178883.9993	292449.8115	399456.558	89783.107	210472.447	385381.36	126263.8667	1249446.144	104080.08	125755.5915	113857.052	159034.5397	150311.408	481590.6795	2978960.639	610680.84	96084.06167	222457.122	924858.2087	144702.3597	194429.052	82305.531	306653.5395	412874.7267	501237.344	4611758.649	1704048.002	166357.71	231982.4	178727.741	389364.0255	124168.626	180021.738	226926.8073	284231.296	174206.6083	114474.9375	484451.892	429593.1645	1071135.175	103814.1767	323565.064	235113.2933	266425.614	330675.2605	536878.126	109560.741	157931.5535	191323.7693	614385.301	107226.234	343040.8453	1717930.083	6638806.929	466611.5733	178025.706	282642.7725	661852.104	168791.232	1035101.88	185438.44	146062.3715	160411.992	314354.664	188421.849	309160.8135	328364.0448	610000.256	3320930.882	1231637.68	4679431.155	218140.8335	189161.8773	797660.3467	291015.7973	157635.233	406086.912	273364	131888.823	198522.405	170978.112	262631.772	291665.6	127426.068	314592.201	254045.43	615143.6913	84502.53467	106485.032	89869.52	557661.3873	77612.649	921426.732
C438	2-Propylsuccinic acid*	160.0736	C7H12O4	Organic acids	Organic acids	618-57-5	1	137873.2004	542462.3064	209468.9004	544870.6992	266710.0408	340768.6992	345259.7064	477400.9076	462010.647	243154.6992	418170.9076	471512.2992	469829.682	139033.0992	181812.5064	542504.2992	215604.3076	214305.9832	301131.4992	274509.4992	351476.9004	511741.0584	242933.6584	441925.588	417538.2735	414127.0992	339785.3562	137258.2992	364271.6076	183403.0992	434236.3088	276596.274	451913.098	383890.598	229472.1337	277130.5088	403887.5064	208215.098	208324.0713	211835.7004	488668.6992	161513.8992	199053.5088	211799.8992	146410.9313	563189.3064	358402.385	400588.0004	393035.6425	260902.6992	230205.5235	237709.3837	311844.6337	250391.4133	147099.6337	288530.4613	434755.3076	327211.885	420730.3925	414810.2587	301842.2587	655066.025	505896.0225	437075.6325	172191.8004	425989.3838	656291.1412	229813.3925	229547.8992	488357.1338	434202.7453	365467.3155	919636.0088	239883.06	637080.6325	431802.098	282945.2453	610156.2735	270127.385	383626.3837	180920.5787	468553.1267	350293.5004	263370.7453	392452.0087	120776.5163	304916.025	359553.525	164311.912	331303.0992	255360.6337	352955.8825	215349.4992	402967.3912	252521.0235	536391.025	685028.525	470390.7735	516489.3825	408356.1425	296546.8838	342261.912	377125.8925	370093.7588	415486.885	685705.412	338321.5087	296335.7663	275101.0992	314738.2992	291095.3925	528842.6325	374212.3837	690758.1338	237864.5787	360944.1004	226594.412	249847.8925	270368.2992	278721.1425	302430.6338	340592.3925	225688.6425	186248.3938	333026.1338	393628.7588	376665.5787	162951.1325	381410.912	461833.792	282845.8925	435421.1088	160204.7467	248479.0992	234233.96	272938.08	847854.2587	431336.8925	284940.7832	627213.6337	354375.4992	402864.9832	410123.8925	240829.0004	217124.2992	286680.3076	730105.96	394079.3004	710518.6992	320979.5064	392517.4023	322928.8584	329528.2992	483742.7357	637859.7004	410993.9064	360424.5844	362758.7832	373180.2113	297636.2584	240521.5088	580461.1076	586285.1064	239050.912	569370.8844	345104.2357	260454.3925	160012.3332	289261.1568	226353.5856	261803.7076	316523.1664	467962.6992	599804.3832	239283.8604	541961.6076	374933.0076	414024.8076	260946.8004	564067.11	519534.6408	224185.598	237051.6584	376117.6076	337965.7652	397562.2992	285994.2735	685774.7064	622360.4613	486811.1535	501092.9076	402797.682	323995.2076	384937.1064	277610.3043	309812.935	533359.7832	275101.0992	369603.4612	478208.682	389148.2076	345501.4992	240108.4035	245521.0992	241881.9844	371531.8992	286341.4992	432386.1076	208461.5064	238421.8992	197601.4992	161057.4844	398234.3112	282466.4395	265757.6425
C439	3-Guanidinopropionic acid	131.0695	C4H9N3O2	Organic acids	Organic acids	353-09-3	3	33643.31483	35837.43538	30939.85125	26691.23577	34821.93138	26032.536	32216.18357	27758.739	41261.37231	35302.81662	35788.52308	28295.39908	NA	18637.644	29828.71931	34755.91446	26313.56333	39574.30238	35478.26883	38476.53554	31177.19231	31869.76886	54010.54	19286.95569	23209.17908	NA	34461.28838	44254.58308	32279.30467	NA	42982.6944	28335.34154	39283.82723	28419.84708	48012.01338	40273.90892	32370.39	40769.22677	27745.73862	23158.58783	30719.89523	35526.39515	38598.25315	28701.83678	31074.21	24360.72923	36474.58662	26686.65162	26799.89869	25031.91292	17343.789	34309.49385	20991.7435	40932.30992	37487.815	33509.35913	20467.82925	19282	28338.67131	23871.09569	26354.37831	21985.86408	24625.368	27153.5275	38798.05431	38948.28431	24710.35029	23483.32542	30168.70831	29836.40646	28393.47771	23809.35375	28890.12	25781.47	35430.3185	31823.052	27177.764	32222.72308	28154.4185	37509.16554	18902.69046	22728.2655	20539.63246	22378.74162	28134.63969	28567.15933	25759.13542	16826.64183	26740.0875	24325.43138	39114.88308	24767.35846	27215.79889	35000.352	31592.99231	17405.38154	23866.73638	31293.65908	36938.89286	36491.07933	35642.39992	24786.08792	39626.86033	32705.176	22637.42286	37124.65477	24417.95262	31307.20092	24691.784	29506.63846	21133.27425	45264.25108	27956.34983	26900.25867	34678.58692	31982.0215	24287.9195	37774.48615	22876.70377	35761.11722	27651.30108	NA	30307.3935	47578.20231	21718.74708	37251.56067	24695.93377	24794.52083	NA	36969.18556	34376.98483	46214.498	31380.64615	35960.00178	35502.14123	22750.92438	36217.73462	29182.79186	38087.868	36297.93077	29162.05556	23434.28114	33477.6995	27559.836	32817.876	40060.224	38916.39554	30662.28831	40836.64877	37045.65986	25055.56038	36447.97615	74799.72515	34500.94746	29555.67877	37802.7	22245.18646	23329.57592	42848.71114	41424.48623	26222.71846	33214.42708	29257.2255	NA	30089.72308	35629.98267	36493.06323	40776.18785	26546.01908	26765.52267	27016.60431	24574.83815	40963.30675	16912.882	38651.776	40781.56615	36493.95162	27294.42692	44092.026	38683.20738	26270.58525	36134.435	30578.19846	35125.04308	28294.6785	31881.34231	34300.65423	37060.95231	25065.74992	37611.45092	35576.146	29317.60508	29345.78957	34672.90969	35017.24077	33045.22833	30611.19615	NA	36166.56615	33042.86538	43910.14433	29818.02083	NA	26823.849	26438.09667	38569.15692	26899.87569	30973.33183	21547.491	25338.0975	27466.362	30854.45485	32805.56217	32639.07758	26185.98177
C440	3-Hydroxyglutaric acid	148.0372	C5H8O5	Organic acids	Organic acids	638-18-6	2	146005.905	181784.2898	207250.2115	182017.72	214795.952	172878.2368	195420.3895	201557.4275	168976.159	237773.211	223546.288	202702.0422	196896.98	207231.219	239701.979	166790.62	219388.743	234587.5985	193096.5222	175036.97	159693.645	185790.78	179831.469	108752.856	193152.565	226604.109	230988.272	217360.466	172215.1425	231008.309	167475.4125	200119.5787	221841.103	202567.0432	208267.7295	186553.9845	179902.848	217866.3123	209704.9344	215844.039	186553.9845	165967.886	194977.9207	229996.6165	186778.35	209297.76	252480.452	404529.2322	NA	226964.8742	131866.812	195686.96	140429.79	221468.476	140999.2	160223.3325	179815.7407	189375.4395	135456.11	155047.6043	159186.32	149990.751	171809.3233	157159.25	122179.47	188589.64	204073.1753	206048.8867	149115.578	172367.85	205820.4915	118483.475	190091.328	161985.213	170213.9647	139415.14	128262.91	177350.5305	136880.745	203205.665	186684.3	148884.3	154607.7373	173888.71	176499.6327	172675.536	189560.0455	215471.4693	176747.0325	173888.71	179464.825	170704.5125	179972.15	135906.753	184362.1487	165091.338	117437.725	167653.658	173966.687	126823.7745	167722.5843	195793.983	166012	174603.3167	174674.3627	159693.645	212903.0267	122034.164	154119.674	161252.667	116416.918	173627.19	185182.166	149388.24	168404.334	156651.925	156144.6	134892.378	157158.135	146246.154	161871.9337	158373.6	145460.907	187739.451	139415.14	170159.998	118564.016	183355.488	225711.619	212379.18	167986.0665	166889.47	182484.3	203712.623	202196.005	125303.9723	157736.162	180714.795	197940.743	187576.45	158045.283	161932.6345	192919.456	207797.5032	164256.225	181864.904	194932.5665	209734.6463	158401.096	151663.32	175783.8528	177170.922	114785.99	193464.5	188705.137	216969.548	170307.7517	194071.808	231496.038	134584.372	181782.835	232290.813	208519.0695	216913.1533	175354.764	222149.889	153633.297	224244.9265	230435.783	193866.972	230807.058	247580.923	97922.6325	191781.36	158889.36	232237.3883	252091.6685	112601.657	209781.264	215075.4171	155299.872	250273.392	204750.6225	228336.307	214201.4786	194305.5	215981.221	165595.023	193447.309	183830.71	171672	181606.2885	270640.755	142865.976	209972.98	203200.098	246834.2147	157392.5605	206318.364	150667.94	233094.2773	242633.8788	188725.446	237685.6005	182040.105	194844.65	192199.7945	203185.92	246041.68	198702.168	242033.705	213342.0525	150483.284	238831.04	185871.84
C441	3-Methylmalic acid	148.0372	C5H8O5	Organic acids	Organic acids	152204-30-3	1	702955.0775	860774.8689	841307.5775	804345.7661	692567.9914	397644.4675	670087.3075	685670.664	668780.9336	884709.2036	701585.9383	683447.1057	717507.2161	932843.8275	795371.8748	898919.9203	748967.4945	777912.2867	505030.632	706448.8275	643979.008	560538.2445	534524.744	581623.3028	285815.19	716914.0528	351434.8285	695331.0161	585761.3081	752002.0798	564789.8075	685704.2445	363691.4675	882426.636	1014427.057	691836.9536	616998.9945	819719.6411	633203.402	604827.82	720072.7497	NA	620400.2445	653302.9484	769371.7878	746926.7445	739051.3371	1077104.451	965109.5678	1014688.329	668097.8028	649157.3451	710840.8223	889965.3669	559796.0524	656301.2414	798177.3747	556861.632	930737.2498	811333.8911	704807.1984	777537.9945	509063.3743	582092.0723	607897.8859	646585.6995	541947.8743	622498.1831	756470.8903	1069894.516	716939.4473	826887.4031	562773.3954	547803.0171	503077.4663	864661.6972	558426.6984	551927.0811	654597.9473	639985.2029	741300.3189	716216.6777	539526.6309	604041.132	773598.0161	628378.5575	636360.7609	1037346.25	914948.4945	1289905.078	516600.7997	600970.7314	655336.0109	556303.0883	576508.1843	638028.1184	832561.7434	845220.636	618620.6771	831376.3064	612641.6984	631823.5886	766687.6526	695171.0343	579520.8491	530641.5109	688479.1973	856721.9383	559195.532	439044.7344	633324.9945	735783.7474	741349.0035	530507.8248	741282.0223	920779.6069	655336.0109	819713.4945	514333.632	656412.3075	557846.9663	521826.4457	600970.7314	794544.2445	385021.1248	672270.2036	473585.4469	684977.3783	522294.9394	668343.042	830586.1777	1075536.314	562096.8027	639012.5723	743347.6766	773401.4277	810008.7048	945745.8973	614343.4446	570625.0734	1042255.875	688321.6777	674820.2445	647645.6229	767240.0775	811524.636	660400.3796	572083.6309	1029441.136	869862.3972	798571.3371	1040853.125	473210.5586	772704.0527	488536.32	930118.7509	587901.9457	606728.8027	710003.9289	863461.9586	786183.9361	899796.5611	703736.2251	877669.3359	734704.8029	968308.7737	877591.2723	597555.1814	633983.2414	961362.4394	670738.7445	NA	827708.8759	1251106.63	599057.6778	640807.7445	972445.6473	686497.3075	1085085.454	691808.5528	1005994.002	601176.4495	687835.8909	625784.7434	667460.2414	753298.6954	905568.4384	376585.5785	1434751.637	1103147.253	702843.0564	722622.555	1231293.679	672199.9961	664551.3641	1377739.019	866144.2663	867547.0528	774306.9311	786792.555	758180.4753	845878.2081	881491.0594	802948.1411	724840.402	273710.19	912260.8039	1080226.376	977027.9997	673557.1725	562165.3663	654906.3664	683579.0811	609516.2445	764579.5009
C442	3-Ureidopropionic Acid	132.0535	C4H8N2O3	Organic acids	Organic acids	462-88-4	1	2493749.601	2177977.028	1877960.411	1715803.532	1274231.046	1244791.05	2087857.64	1509524.85	2066087.119	2310348.852	1847313.137	2115886.115	1845407.88	1519153.993	1702721.583	2021096.178	1936069.961	3148665.109	2140349.373	1523312.771	1652334.371	1696029.872	2230341.343	832553.8182	1926528.853	2417736.128	2282210.208	1558193.348	2066838.986	2702584.908	1945876.087	1912065.855	2261349.513	1626757.266	2011536.046	1773393.449	1660798.248	2407251.99	2538165.661	1641694.383	2359340.514	2003526.357	2396520.05	2592596.34	1803623.623	1940155.239	1861706.578	1245302.693	1461669.311	1926235.425	1448077.714	1721175.726	1837570.202	2507694.884	1809388.908	2006444.935	2583012.533	1847027.143	1870912.081	2616854.875	2379794.937	1910652.946	1902001.393	1789123.456	1951856.007	1956417.844	1825758.015	1892651.047	1478391.318	1961973.026	1898943.085	2245476.922	2067827.508	1313429.744	1322803.193	1396288.887	1637712.384	2030515.206	1477059.817	2274317.175	1620955.881	2176303.377	1735298.236	1925162.913	1493055.886	2129470.384	1538114.317	1479453.997	1895589	1855870.114	1960929.394	1668439.996	1561639.772	2111602.484	1846733.4	1337823.997	1617543.247	1992094.585	2222097.859	2826233.375	1447449.559	1444199.436	2245878.841	1339100.13	2067444.437	2287598.75	2000761.128	1415280.248	833052.2546	1237417.201	1402886.311	2411302.635	1619140.594	1805191.596	2129239.082	2057503.826	1839167.204	1696590.491	1448293.755	1238442.811	1320314.13	1884473.308	1700711.449	1561056.561	1736454.363	1845674.013	1305505.373	1559482.535	1887894.902	2152788.186	1923179.909	1513841.561	1338513.067	1575575.949	1764987.754	2094426.353	2045231.065	1844463.576	1662335.686	2738572.94	2492499.16	2257603.811	1491414.436	1527616.881	2202101.725	1376669.514	2033489.851	1144195.38	1618820.885	2119726.593	1898497.459	2240168.792	1354211.874	1772768.97	1446672.438	1960609.957	1527942.392	1419937.438	1481269.383	1395769.999	1531975.122	1500698.497	1369390.625	1094061.56	2174567.733	1892092.749	1897991.276	1456766.435	1671740.203	1706126.229	2222489.135	1875717.567	1648428.029	1163586.632	2253262.793	2018873.267	1434359.686	1535718.56	1964228.488	2141203.176	2236854.984	1783050.534	1906334.125	1658255.623	1667750.312	1650932.245	1727881.47	2132153.426	1362937.587	2042312.31	1219444.811	1943899.997	1411948.188	1198791.938	1920367.7	1611341.024	1464483.846	936003.8464	2205077.148	1796381.573	1461236.829	2505211.81	1717548.624	2084751.292	2232659.243	1671611.081	1409919.839	1930817.292	2071817.808	1644365.583	1982027.176	1691010.339	1499677.061	1755818.436	2098172.04
C443	"4,5,6-Trihydroxy-2-oxohexanoic acid"	178.0477	C6H10O6	Organic acids	Organic acids	56742-44-0	3	13299.87125	9757.9568	9311.56	20202.679	11868.99138	10531.06983	13241.858	9696.304	12212.9148	17189.728	17062.10625	17905.728	15560.2828	NA	14364.6136	11427.7644	14219.60625	13371.1396	37126.1656	16344.648	13536.864	23155.93612	16978.2435	9968.1368	30697.6644	9263.864	18674.0148	14996.2644	14522.47333	15327.179	29853.35625	26300.23125	10714.0644	15189.44587	11461.728	21361.5356	9595.0488	7212.884	NA	7145.5644	12855.1644	11392.538	14274.26743	7145.5644	13730.996	8491.2435	6220.8945	22846.9644	19904.60625	9758.6805	8810.752	13568.8644	11009.8512	9593.7476	17416.679	14947.9368	9172.701	9286.6644	16645.54667	16510.6512	NA	15255.212	7982.66	10222.94933	4773.616	6135.949333	17677.5785	11377.10625	11844.679	11009.8512	17030.448	8063.372	115572.304	6758.1	10402.6	15825.3524	17632.07338	13891.104	7446.381833	5892.733333	6815.448	19199.4248	6714.2075	NA	16085.26613	2043.3285	NA	8325.546667	28564.858	12209.44725	6884.2512	10896.2445	7277.7175	21438.4364	17308.304	6121.8285	5183.489143	13629.75575	13112.55333	8165.29875	7938.9675	7336.832	9201.745	13472.5	18791.20875	19759.28267	7938.9675	6947.778	11582.448	4904.37125	14634.858	11232.4865	12487.66171	6862.2248	13646.8136	9261.4675	5202.6	13606.8	7571.8512	14634.858	NA	9520.5785	12668.832	9759.358	8259.4512	NA	12637.37475	10388.304	8366.358	14520.674	NA	NA	5580.9675	15398.74625	NA	10289.2248	10455.4305	22186.87867	13967.66	13934.179	20112.21333	5880.808	8491.2435	9256.7368	11148.179	15103.4256	13175.712	9541.782667	12813.7368	7630.378667	11056.1445	17685.4935	28006.7148	15677.032	6220.8945	NA	19159.338	NA	12064.338	6937.212	10454.3568	32428.3665	17956.1148	8491.2435	7982.66	18296.8408	17775.8575	4762.3285	17793.5368	10312.8735	13646.8136	5699.7368	33406.48125	22086.75463	15677.032	17772.73125	13175.712	23795.3285	32546.4076	NA	17855.865	20991.995	7989.973333	30563.98125	19930.538	14950.038	14364.6136	13441.9935	20658.53067	7932.5745	34659.4935	14249.03067	9399.809625	22036.48125	8917.1236	19703.795	17082.1368	16582.1445	9976.030667	9681.6475	14442.6604	7207.882	10091.323	5049.884	11399.299	15381.6435	11056.1445	16027.858	13692.382	7129.032	13249.97	4839.3945	18119.9592	11235.62587	21545.6148
C444	5-Aminovaleric acid	117.079	C5H11NO2	Organic acids	Organic acids	660-88-8	1	56362.432	44819.432	33927.714	22719.13433	57039.026	55530.3252	42748.214	34225.026	53684.026	41072.83937	43336.124	76498.026	20357.714	33273.716	38020.09733	61834.32857	35567.026	36198.02575	37320.214	34606.214	37580.026	70459.026	84877.716	59723.026	56378.40075	50115.52575	45625.4216	28186.026	44808.43067	31552.7775	59584.124	42165.53625	37350.432	46856.432	56996.714	36560.7228	23497.7775	48893.432	24840.2775	29856.714	65868.432	39355.714	57710.026	67852.714	40373.27575	41982.124	38922.026	22393.214	53337.6204	39652.032	57370.28625	50329.026	51232.5204	48334.0275	32212.026	39355.714	32594.716	35992.432	45367.124	40011.0216	28516.43067	34301.535	48385.66125	60354.6204	58071.9125	30870.026	32589.43067	34631.716	60394.026	32570.714	24887.41125	55062.96767	33858.124	28186.026	32883.026	25107.214	45621.16125	49836.2216	20805.026	46140.714	52954.43067	51511.90187	40264.026	44961.026	40742.716	67104.026	34982.98667	28076.4204	23071.714	26844.026	38677.214	48176.214	58381.026	47332.02575	32570.714	44977.7775	29539.0275	49569.63667	37580.026	48316.026	39355.714	22406.93067	34225.026	50449.91	35963.214	NA	46636.15075	44221.8216	50775.6228	52814.124	44129.59733	55697.026	45632.026	35963.214	28337.91	54282.714	48316.026	59052.026	37327.66125	45367.124	44783.714	50459.03625	42964.0275	64313.6228	25502.026	38018.78625	35983.59733	38922.026	57041.432	26960.78625	56199.124	63101.5275	38020.09733	57553.124	51232.5204	66433.026	32212.026	NA	42093.09733	52635.9204	44105.214	30535.214	56854.2216	36560.7228	52627.42375	51232.5204	31231.764	43619.026	36636.53625	36641.714	25053.4228	55513.9228	54990.93067	37914.5228	69476.7204	76526.5275	57553.124	33276.432	37341.264	67708.124	48334.0275	35945.41125	51019.0275	54325.432	45621.16125	48987.026	32546.712	49758.91	39606.56583	23071.714	44221.8216	33955.432	72447.124	42856.66125	27088.124	33554.026	31213.714	71192.78625	81213.301	44783.714	60568.301	36643.1625	35794.301	66120.65075	72293.8216	59757.432	42948.026	68375.0228	73113.3228	98158.6228	68385.124	82107.3204	49076.78625	59575.3228	38698.93067	28150.619	35938.91	44961.026	45632.026	47730.8216	41982.124	48744.9228	44808.43067	39239.8855	58959.6216	39235.13433	45618.9204	39393.91	61100.43067	51460.124	51232.5204	86664.124	52954.43067	39945.2228	36662.43067
C445	6-Aminocaproic acid	131.0946	C6H13NO2	Organic acids	Organic acids	60-32-2	3	41849.6868	16759.7412	136349.5163	82417.1492	113864.2858	112052.052	92898.27	15418.332	146475.476	145019.5247	84404.673	237763.0058	97583.84133	131669.0787	131655.137	52134.10367	83233.32	69661.55167	245830.059	201598.6933	88449.0688	222714.846	159275.646	60071.1552	68323.7225	141991.6075	110516.1358	104962.4028	144349.949	201914.9133	146861.7248	101150.235	178200.2863	46889.83917	98552.048	107260.49	277340.7744	196496.9955	166677.792	162086.2308	164068.6728	123508.9134	135662.5973	176822.352	148360.2647	153877.5468	141054.1776	73569.2868	46119.344	91104.615	114511.303	118110.8142	105946.0672	58721.6304	36174.32833	237122.424	166935.1824	95705.8	56030.352	49575.564	113386.0356	102588.3954	130021.6456	224396.541	167397.454	99214.5834	138393.512	205471.7056	25496.512	76712.424	62288.36533	143314.172	132957.0288	83502.4945	121227.372	92497.86517	146012.2492	160762.833	85728.342	131604.6204	146009.3875	170073.2862	112709.8314	128613.987	68844.5082	195043.8204	151702.7672	58729.776	118125.756	72171.545	130931.2998	71010.513	130257.9792	71027.4994	182619.0184	66166.63933	47915.9008	64328.414	122849.748	132957.0288	148692.2	83690.7228	130949.462	208135.521	80382.315	169745.2837	99019.029	83736.396	49942.7904	239773.3267	45143.3864	107836.185	158622.884	120808.422	75020.0225	83690.7228	112711.2732	111855.3958	116068.9824	206517.6648	40050.45	134981.316	110010.7818	58721.6304	242480.088	74350.3925	83027.476	42107.60067	66327.41917	81667.8774	73516.26733	26278.3528	45552.01	139029.8904	97880.076	72340.07167	160077.3408	99213.1416	116761.2894	312275.732	97790.30417	169768.032	66820.221	103966.7558	109483.5983	101150.235	119458.8972	95556.85	30817.28833	174124.7442	57372.1056	66311.97083	180539.5	97755.5515	281593.872	149827.5306	186885.738	228143.146	160625.1708	217596.9656	68844.5082	135392.632	188969.517	22952.0142	208167.3272	37210.688	118784.1348	173137.1992	143773.168	108661.257	63446.409	159996.2258	54934.659	35100.621	78291.1818	131962.527	135295.3075	126946.1835	61091.4	208964.6233	74241.375	179498.0417	124858.4382	146453.7186	117897.228	138375.762	16879.1526	111347.7424	52640.024	40428.5672	82866.2576	60744.4758	64794.492	114402.9948	163346.876	81049.55417	51304.918	175499.271	241609.635	109336.0194	103147.3442	124858.4382	18194.716	112708.3896	78076.0605	127602.9	179847.659	63455.21	22238.5184	167646.1	120133.6596	126636.317	121483.1844	176820.9525	100564.1082
C446	9-Oxononanoic acid	172.1099	C9H16O3	Organic acids	Organic acids	2553-17-5	3	240508.9287	194140.08	98744.23125	33742.22429	26856.59582	261597.5494	189762.1662	227476.596	228359.84	343542.465	239875.2023	311526.2734	171462.77	174093.5298	161428.4235	416635.164	52737.87	119213.4666	86794.28438	134910.51	46965.655	219383.7062	400588.02	276766.1987	56725.375	79688.78213	277976.664	97962.38109	110868.2155	223064.8875	414313.6655	206132.8783	189327.8306	114118.59	24959.94708	101399.55	222913.48	163488.699	242594.406	54969.94175	183563.2024	409429.8495	104498.7176	338941.44	187545.6017	74310.76	38042.13086	1018494.149	424378.9786	212904.2374	219627.8087	67856.12229	335580.971	350281.0872	99956.43114	326798.9315	330934.3824	159844.5357	568478.0331	112673.2029	67927.1058	502824.6531	274826.942	185515.1573	174429.2829	154140.9312	193533.24	66543.95657	76076.966	73871.43086	131296.6201	116525.205	432378.1651	153691.764	47159.40487	44904.98357	44200.20157	60121.3655	32485.365	36606.447	87925.176	46345.65075	14363.4504	33878.72587	38640.31029	57837.99771	42040.15273	31071.59688	55806.34725	111102.9562	40797.92914	22566.84564	22714.69725	40695.91543	38462.925	26381.09091	25203.129	27087.46933	52779.81771	40581.65891	67175.54857	20803.6952	45833.59886	45645.17729	18608.56612	65454.52725	120522.5914	33707.1506	35268.398	64659.5055	44270.2715	39141.84214	34079.4755	71251.46914	71248.05563	67644.45675	30119.48	29223.5775	112323.6214	89669.08838	33342.80017	48949.73286	48124.30229	14576.625	43795.05429	64128.58886	290872.672	26775.10688	61262.1225	26562.7065	57452.30775	135392.0349	31306.70425	27581.2604	36658.40288	20734.684	40903.72114	196660.2281	41696.777	69021.38571	68918.40425	47639.16818	116193.735	29062.51773	40420.20783	143603.584	61452.87257	36298.52	79364.98162	86083.51183	46336.25742	61143.05314	133841.2189	271822.4321	222986.2298	59266.459	44772.2395	210563.5765	182377.0558	34542.64745	117741.0612	69653.82225	73964.49936	76157.046	63135.07418	52538.30018	33413.195	97850.25	283154.2055	40932.34364	131047.4782	229251.6547	120003.54	28148.38062	71331.28575	271728.338	35134.33836	450675.2762	44231.54373	132854.337	44973.43142	30134.59417	163619.7711	186293.9317	297399.115	40387.43727	27236.34375	372023.1767	58332.60891	267544.5072	51304.38673	36555.08975	187073.0265	42961.22964	41325.70475	107032.1285	115668.18	72406.656	44748.75567	53636.78888	94366.10436	192770.7605	52387.219	113513.9658	145867.3287	164812.8164	86552.37433	103708.8382	96312.77991	203902.7937	268269.6851	192626.3365	203611.5392	130110.5982	303192.2686
C447	Abscisic acid	264.1362	C15H20O4	Organic acids	Organic acids	21293-29-8	1	51093.91238	43896.87	85028.5425	68713.41837	45321.744	59406.5725	32048.21455	52147.75625	85481.9055	40560.78273	41598.11786	45889.91812	55932.091	53489.94514	25161.24625	71859.69463	52061.46	58706.406	40915.43764	78208.11657	46912.48929	91969.03929	49789.70455	77295.825	94112.777	71633.74286	61481.70836	32586.09643	29709.834	64646.615	41744.09025	42784.24425	50531.10955	89657.78571	46103.23929	65732.55314	88056.9195	51987.29371	55105.51771	68862.72857	91737.825	30164.592	66324.45125	73613.408	42095.69925	52652.3415	67549.92362	72097.06071	35590.10357	75926.21025	72070.7568	51179.06286	39561.28	56153.94643	24267.71786	67695.78057	41020.08214	32004.10125	44496.65675	63569.66386	71903.04562	42548.70338	40036.923	59389.16786	96475.05	31771.74171	20537.17875	66184.272	45749.95657	63883.136	56964.08571	62046.35357	44847.231	25188.528	46790.25371	78156.61875	48869.06971	32350.57371	73059.03825	54480.68175	45750.84571	34551.41786	47520.42425	48060.83886	50832.29714	62151.97486	65281.575	76959.9105	60568.7565	42467.3704	55310.713	74206.61325	69556.37143	59726.39314	42744.65371	33201.42514	71548.6875	64820.925	62614.32914	46203.997	95071.6	59390.05714	81826.7	75240.3135	76959.9105	38125.55657	48059.55825	79814.89613	45757.30714	44362.00457	49050.3552	30872.16	52111.25357	49685.28214	47259.31071	59346.0504	59505.66429	85318.94562	61029.69187	38205.29525	53175.26917	74205.7305	54480.68175	36476.11275	52101.99314	36935.14275	47171.73437	52101.99314	43453.03286	71339.44125	33274.39314	75101.95714	45652.299	42096.582	61734.783	45179.27143	68941.943	48977.61825	62393.175	57692.12625	40612.25	47713.184	47412.84764	54136.40925	68747.36	104596.1648	47517.34873	34382.23367	49780.038	111248.5688	58378.425	58526.18264	35340.89891	54353.83191	63276.49045	48779.11455	48455.70191	57257.48	77064.51309	52790.598	71501.67609	57960.51367	64133.72325	75349.114	34434.92143	70871.257	78570.05564	67767.687	81004.96745	97062.478	37736.67975	59976.086	65137.725	38878.1235	47242.51473	47752.58537	62115.18	100242.4182	51458.3225	62162.85	74870.912	78115.116	47605.50287	40453.092	59213.881	67370.569	49603.03125	80930.65855	96225.0465	56554.17164	15798.357	47374.02857	57233.979	56660.1915	50946.99657	49936.975	45887.42812	70765.65375	38487.47809	25120.39012	41269.90964	60850.456	39974.08457	96647.26909	30254.44827	61607.46667	66540.784	51515.03636	64564.01875	68969.33236	45644.95188	50878.06218	48213.92973	53646.44133	22481.34137
C448	Adipic Acid*	146.0579	C6H10O4	Organic acids	Organic acids	124-04-9	3	274616.5629	646709.8598	268554.5077	278903.853	251552.0058	343446.4663	271787.0801	463109.6526	282673.8058	272388.039	NA	217226.0025	241193.869	275931.396	251560.86	279610.6533	189547.3478	224685.775	339873.9162	203371.7633	331801.1205	302423.0967	554268.816	521425.3109	261473.7392	287466.3215	434830.3655	376783.9618	261075.0035	243595.3239	NA	158006.6073	285161.8731	234031.1358	173871.037	NA	344330.8814	430865.5933	275047.1632	261838.7985	293512.4836	446186.3129	294238.9824	312424.9237	234635.86	202947.1473	173567.4767	233360.2865	250244.1369	306615.2051	208655.7017	189961.9939	302718.1857	176357.4945	NA	304506.0673	271270.6212	193539.7844	214543.2805	379270.5556	367496.613	242149.835	286377.78	NA	506349.624	358908.4203	378769.7709	NA	217890.9145	265047.698	213223.976	231512.7255	503150.2665	278690.8331	463498.068	328034.5287	262464.4088	200975.3105	NA	193984.2542	278870.5253	240271.7625	444274.4047	305719.5601	259214.3345	208744.7359	NA	243938.445	314809.9958	207393.0656	395253.8367	182416.7382	248935.9876	487729.4624	452432.073	195118.4136	310880.7545	289267.525	219886.32	452489.6739	332090.7974	283452.68	220466.5024	259237.9794	353018.5462	387995.1999	224163.2193	269505.0251	404086.316	530506.0558	358935.4282	419650.7956	256075.9377	260966.8676	260481.4036	333971.4966	242109.6	230650.8295	352683.868	270061.5862	238033.8393	419064.2375	293513.988	260046.8136	283429.1594	414366.614	384061.528	209502.8267	211962.2438	292554.1418	179749.9234	354554.0638	219330.335	252845.1364	246839.7898	277112.0236	639358.4764	332464.5973	322841.715	542030.2636	300889.2127	254689.5803	260734.2128	288337.2287	314735.19	315077.7987	432865.6622	290856.069	402817.041	335704.44	307792.2476	311398.0489	395865.5655	393481.8132	784750.77	241304.9114	354842.6953	382888.5932	298301.2919	335793.1377	533266.3028	454062.39	357829.8164	338376.2585	359280.0404	283584.8068	331455.9556	NA	321825.798	281761.8764	396498.8412	387625.688	246171.335	297517.0058	337805.4535	293833.926	275644.9895	412005.72	299044.49	326620.7378	312795.2218	294810.992	222122.6205	307624.7109	237893.8111	273297.8852	281836.7727	263493.2625	307202.1571	304817.6209	269874.02	326771.5328	350612.108	NA	289960.363	299461.54	251555.204	307257.2973	216930.7942	299408.4534	398847.3349	322541.2286	339309.6909	300508.5147	252576.0836	188255.2467	238936.5084	311410.8844	226297.3145	281175.7953	322625.821	275394.064	475401.7395	280006.5164	257444.1264
C449	Allantoin	158.044	C4H6N4O3	Organic acids	Organic acids	97-59-6	3	208381.0075	247582.2948	163359.6337	294462.2478	123385.777	71386.34913	194515.0978	171393.674	109292.1972	172486.777	162031.7318	88133.777	119190.24	115156.5255	177101.639	144788.777	174929.97	153267.223	142079.8837	154566.5075	165204.2575	77839.85788	321528.8689	166596.66	168958.7575	160742.0108	214441.7152	170244.2587	146722.7318	110786.1337	260754.9472	75816.139	139752.777	152351.4255	122126.777	103255.0075	312753.5889	206479.777	138375.223	138979.9413	120286.0285	232205.8837	131007.639	131567.9413	192237.1318	123123.139	152282.2755	200872.0075	149231.016	239673.1616	139164.974	207367.476	222129.0255	158466.476	174375.277	139808.2785	158906.639	132828.277	148596.139	204591.277	285796.777	214952.9413	134031.723	181227.7755	143529.777	147995.0285	259014.1079	81710.476	123385.777	171227.777	138493.777	119342.448	208814.665	97422.223	168080.277	130505.974	102612.277	129679.518	103910.474	76882.48	194569.9413	174375.277	191925.0255	241412.476	159896.777	147062.223	135346.277	131742.974	172333.9413	159833.2755	180670.277	66854.476	127516.476	211346.516	188149.5255	139068.0255	157228.476	168709.777	71137.277	201045.723	84356.777	96397.3875	138658.476	173745.777	78061.777	208368.277	152568.608	196428.6375	149136.0255	222796.7945	173462.639	249816.0255	104884.8875	160942.476	175003.518	162495.1093	76758.476	93366.1375	181857.0255	155994.516	94428.777	122516.639	200184.777	102756.476	166821.277	185702.476	150415.639	96317.277	94427.518	83150.723	161785.277	176263.777	134716.777	147877.5255	161721.0255	96679.55556	173116.277	100952.016	168779.723	247397.277	140794.94	179340.0255	140105.139	172486.777	122707.5255	233424.335	150454.277	71341.7575	168709.777	202183.776	169901.2755	168627.9413	273505.9772	208368.277	239800.3858	111425.277	134758.9833	293405.1994	191371.777	229004.7334	224063.7938	198888.7937	140050.9088	227721.8584	140236.723	173743.723	182413.5147	152026.223	142957.0285	88114.723	200816.795	189508.6369	182216.608	153373.756	165315.6358	87400.35675	146401.365	250599.1519	169093.7625	193410.7608	168159.223	124644.777	138375.223	93864.94	158008.277	166455.7575	149824.777	125974.94	152725.0907	156990.223	131979.807	140382.277	151112.016	196935.3507	162350.2755	132198.777	149136.0255	156749.277	206517.763	164932.777	166230.7215	93354.7845	165056.723	168080.277	182430.723	173999.5088	113313.777	189231.639	200148.639	207129.5075	203251.5255	185706.277	258730.795	178241.1375	81241.1375
C450	Aminomalonic acid	119.0219	C3H5NO4	Organic acids	Organic acids	1068-84-4	3	500259.6757	680308.2306	420185.4124	414089.2555	974589.8331	446306.2536	134238.111	323340.0705	133029.96	631647.9637	359705.193	721484.2098	943666.1945	75167.568	673744.6372	51357.792	639311.4279	90116.976	693760.9611	144137.388	913086.249	738880.3971	878138.6902	1394034.451	276813.2813	803398.0985	102741.308	414639.7075	513627.5577	530626.5737	273938.4255	843221.0654	127664.824	375847.6869	147795.864	956186.8869	130488.54	789330.1581	163150.064	542464.7728	208036.57	542470.3351	908377.272	970097.976	91442.26	512364.2036	26921.271	780226.6976	157656.149	414785.5305	56022.355	NA	NA	644534.541	783757.9667	882948.53	768843.0286	478890.0743	1337121.575	1202442.739	NA	51192.576	NA	NA	829350.2462	NA	121068.388	677926.4468	377204.7125	624438.672	904722.7155	NA	48429.69	NA	87402.336	NA	NA	523899.7008	NA	607280.9551	NA	189849.69	1051331.533	NA	884526.9774	36889.031	905485.3597	NA	NA	NA	NA	572962.7521	NA	157889.06	NA	NA	NA	NA	411205.9057	NA	NA	911698.4363	212263.632	NA	170923.77	490664.0662	745693.3121	NA	356473.416	110916.568	96179.608	1594646.657	NA	NA	402744.1818	NA	NA	589692.5003	NA	NA	979220.185	NA	NA	694220.4288	NA	NA	340756.976	93957.606	729043.0062	NA	487393.8683	1149864.482	NA	NA	668332.8023	578492.577	1059766.145	619789.128	155905.022	790409.5611	766340.5418	1533706.13	905421.3318	834473.904	615271.068	1024561.423	45569.367	907737.7288	748574.1242	317557.9671	644833.093	803725.5264	1183457.414	512702.4318	NA	NA	918230.681	1350261.396	346163.064	250952.9464	1089593.031	733315.5304	923893.818	993704.925	946326.0323	634450.1644	1250615.616	557662.406	581889.8675	734518.4488	613235.8575	599958.6874	847357.6272	863226.9215	1035388.326	831581.6838	793907.3257	1337325.978	793308.8143	1083944.221	1091001.044	226038.0982	956785.0667	1025119.361	552818.0437	801732.544	826192.7605	876722.9	532438.4715	1080870.173	449651.3413	692831.0706	882652.8945	747427.28	1032927.139	465415.0731	552449.4528	1183751.697	191382.8985	1363014.647	734904.6836	548472.6587	451006.36	487595.8106	711325.567	479423.1337	954781.4737	854752.3205	589353.0669	419577.7586	893418.0612	551324.2286	300708.1915	469357.0985	508074.5723
C451	Argininosuccinic acid	290.1226	C10H18N4O6	Organic acids	Organic acids	2387-71-5	3	1563172.062	998720.6133	1460055.015	1099986.41	1691142.927	1040630.106	1740456.274	1732341.303	1470165.196	1364692.263	1891604.484	1102077.133	2067100.611	973799.5647	1841129.049	1995672.986	1721117.027	2341452.66	1276482.511	1856936.317	1328496.209	1141635.093	454145.5857	1280119.691	1244922.868	1746567.396	1924453.768	1722788.672	1162568.72	1474680.528	1102869.325	1350405.188	1209507.444	1602209.748	1154621.693	2133579.791	1485514.762	1113161.348	1772091.177	1243438.371	1372303.733	1506884.125	1318306.949	1326731.348	1071136.515	1222352.299	1862042.497	1086357.64	1774896.992	642556.4193	1558607.373	1529621.094	1563491.192	1688420.083	1727199.846	1478231.807	1387174.764	1154841.61	2412460.78	1059348.864	2315489.075	1137567.196	2002501.111	1332223.225	1005920.484	917205.5991	962394.4113	NA	1291200.755	1572282.01	1807170.445	1901046.153	623854.1903	1223332.376	1051124.395	861636.776	902907.9721	1868564.804	1273022.885	1971388.972	2034041.889	1834551.471	1168418.613	1030246.026	2053158.912	1849545.806	1962741.76	1848982.29	904577.5629	1239511.084	905795.7633	1701373.135	1417608.173	706553.85	1039342.777	1591576.173	1490986.619	1789959.707	2019813.527	1238569.834	1332517.422	1136087.852	1642392.981	1428596.736	852771.4244	1427938.02	1871355.407	1552596.103	989443.8673	864562.0044	1557776.608	1958975.228	1547750.073	1006322.7	1973728.604	1583450.29	1541061.255	1056739.997	1105266.086	1310748.119	2029718.118	841277.8892	1258549.14	1882491.539	1033476.182	1432225.178	968794.8282	1396358.218	1792846.868	1474509.151	1840046.28	1587206.927	2169213.094	1260387.163	1583829.922	1834665.716	1320945.102	576571.528	1559847.264	837947.55	1382888.776	1728407.102	1052066.93	1822896.162	1469100.198	939288.3691	1084833.614	978866.0886	1409933.794	1172208.001	1578228.47	1563240.304	1439056.788	1448928.258	1104890.292	1547056.682	917561.8691	1277836.344	924156.5055	1447531.081	1119781.429	1618857.692	1152309.224	1648601.424	1268867.399	1527309.436	1429121.299	1470182.265	895469.7286	1079678.145	1702084.211	1342027.941	831590.0793	931373.832	1029708.53	892074.8194	1243449.739	613931.45	1597387.722	1104747.837	1597820.864	1009705.984	846150.4833	868028.6506	1093387.475	1822894.7	1431617.036	939219.5587	783999.79	1676052.436	969874.075	1736045.203	1375010.885	1532321.561	1732556.166	1970691.987	1717977.652	1580917.007	1212304.171	1152166.966	1214241.09	1195755.707	1853288.126	925299.5524	1617208.689	1529466.914	1053474.158	1628324.976	1546997.071	1737938.235	1348553.314	1887084.844	1308293.358	1195538.46	1339294.462
C452	Azelaic acid	188.1049	C9H16O4	Organic acids	Organic acids	123-99-9	1	19662573.55	20244964.37	10794224.31	2395899.59	1688817.539	22919925.02	17700488.41	16270860.13	22511266.46	31033429.21	22986940.73	20038782.09	16784112.36	10128684.31	13732858.2	32276223.64	4213317.467	8933454.611	8073383.035	13523723.8	4104397.55	21038026.83	33302642.35	22911296.62	5210367.371	6951046.355	34671195.27	11829239.01	10712173.22	12378084.57	29234373.62	13796446.32	18952754.18	11368344	1652344.6	9698960.607	18122458.06	13579457.6	20900833.61	4573910.173	13043544.45	31492567.85	9151390.732	20068755.75	16553449.23	8026505.084	4013077.208	63251706.05	36602513.69	17449468.77	20793473.13	6525447.973	26436875.41	31803692.47	8860525.926	26079494.14	21525442.72	11429371.51	44786222.83	11969810.23	6378569.93	35150140.3	23621687.26	15285207.91	14879141.89	14132171.78	15348146.99	7042775.579	6970207.872	6802569.483	12301468.1	8445832.767	36705338.37	14212863.49	3176490.959	2424625.007	2499891.781	4870341.532	2376426.21	2284285.235	7923580.557	4737458.65	1374537.226	3751997.921	3912698.707	4351419.394	3349619.82	2521160.809	4232184.532	9986650.145	3688962.965	1763739.25	1757210.579	4156508.107	2891129.752	2421145.44	2092958.57	2457103.017	3181117.962	2765500.762	6022733.898	2055425.625	3364724.726	3493261.616	1737305.4	5593111.695	9685688.73	2265037.77	2961013.549	5241607.738	4215003.265	3087842.264	2588568.768	5729352.61	9211769.207	5224934.966	2648099.654	2300506.119	11769608.84	9707755.922	2481406.478	4403704.609	3497741.906	1272601.378	4488029.715	6295370.29	28388769.07	1978443.568	7151818.156	2503609.66	6336443.025	12695109.08	3104733.078	2350773.721	2856757.913	1851525.262	4357274.734	16678889.7	3608355.735	6300315.987	5478781.482	4089417.314	8782610.037	2376138.685	3123286.664	10281348.42	5119323.029	2731396.377	5650728.553	6325846.336	3440645.491	5278018.313	10749546.44	28925597.25	17577365.35	5700166.795	2813016.948	15410728.76	15256319.47	2211683.87	9139040.068	4608316.637	4967594.496	4617977.889	4764102.493	3267563.188	2969786.009	8173121.94	25041352.54	2762010.714	9692815.205	18425500.64	11706627.58	1849139.363	6351183.9	19962428.81	2728449.022	28189350.1	3434168.232	10186576.69	4231425.345	2712076.656	16091039.51	17927205.65	28977023.64	3391365.299	2227239.636	30554857.86	2947331.273	21487859.36	4322442.235	3276749.267	13210147.41	3186759.075	2832856.181	11652683.41	12317264.81	6434674.204	2781277.214	3665141.227	7389323.565	17824341.38	5898268.983	11761857.5	13187008.21	15630026.4	11110067.28	11340806.2	10023650.05	16185184.3	25959832.98	16171822.66	12784949.23	11832893.1	24860476.45
C453	Benzyl acetate	150.0681	C9H10O2	Organic acids	Organic acids	140-11-4	3	2292258.325	2314899.288	1980697.252	2154562.199	2190984.367	2630408.789	2523589.164	2539879.648	1747644.808	1887304.568	2041274.535	1997210.98	2171074.561	2045872.036	2298861.339	2362866.917	1952935.06	1827856.199	2202619.959	1750433.56	2408599.282	2180348.511	1919252.478	2115149.738	1702809.736	1727510.353	2254659.018	1974294.578	1990228.065	2037312.853	2086196.625	1944483.316	1615098.712	1748016.17	1951322.272	1793040.526	2015789.33	2092191.287	2027919.201	2865360.969	1484036.333	1892642.358	1701817.311	1787224.686	1911718.052	2028689.262	2338543.009	1909483.385	1806724.31	1886799.395	1835292.383	1944952.089	2130736.11	2121085.208	2007326.328	2432253	2104424.711	2204288.54	1891599.028	1902436.376	2348325.143	2016240.93	2204068.298	2164495.594	1855546.777	1853529.135	1736412.941	2050240.696	2134646.784	2440885.623	2443450.393	2106979.944	2047625.08	1964186.616	1919852.952	2287984.242	2205068.479	2477365	2590054.238	2194494.941	2195507.041	1997777.848	2255738.932	2082701.305	2553178.939	2415930.048	2220808.121	2126630.814	1889025.352	2155986.41	2424718.052	2364126.402	2363403.08	2228551.281	2214704.325	2488926.057	2983003.985	3114307.687	3252496.31	3011346.094	3141344.934	3223409.946	3027040.129	3092138.351	2405853.544	2791505.267	3160938.891	2923856.826	4104263.095	2944743.393	3686353.924	2784327.971	2881393.115	2739646.423	3120660.585	2754230.811	2905792.542	2802998.517	2985395.611	2788628.947	2783908.548	2561312.272	2717508.17	2644122.021	2526721.545	2719864.168	3021292.928	2941389.937	2829462.968	2905864.234	4107445.874	2622033.831	2572809.975	2553442.556	2929846.122	3004456.375	2628300.471	2590772.774	2699027.281	2775133.214	3281588.607	2900541.016	2885237.953	2958995.553	3101076.931	2824082.248	3010442.005	3109680.656	2926020.326	3100296.459	3100660.354	2926404.136	2712980.468	2851256.772	3446246.337	3015007.494	3217799.381	3392779.581	3088606.714	3358534.857	2882265.715	2499148.908	2861231.784	3248228.094	2972963.192	3423547.996	2836075.969	2904913.795	2840945.917	2823400.881	3290076.783	3173727.128	2878371.932	2866190.373	2884881.832	3396720.892	3229431.084	2710602.446	3506048.094	3099495.883	3757244.785	3757160.561	3038192.65	3266926.027	2349685.25	3170655.126	3342861.649	3880639.36	3340258.221	3761045.96	3702612.705	3616570.32	2834857.706	2720757.358	2885961.483	2871637.641	2425296.967	2340998.047	2955561	2885640.038	2567084.478	3086586.401	2431239.061	2315356.745	2628204.722	2878266.75	2607561.573	2697518.025	2656561.007	2783697.104	2700901.26	2743989.356	2576518.49	2516768.315	2679470.076
C454	Citric Acid	192.027	C6H8O7	Organic acids	Organic acids	77-92-9	1	343415.9248	456069.24	381058.7248	377813.926	378472.8984	328276.426	439331.2364	376284.7776	350313.4376	429928.3248	343205.8124	439240.426	355993.4816	456344.3248	397897.677	355356.926	466854.4025	411334.803	374788.632	403275.4154	325767.3972	333616.2592	386482.572	310678.2984	451789.926	385713.0984	407305.0124	393005.426	487307.0889	382098.132	326018.2686	381264.7124	474750.8491	420826.3776	408196.926	371869.426	415898.8389	377813.926	421249.4685	427351.426	407349.132	410066.4984	496563.7139	404233.926	405500.2046	420659.0124	474007.1895	341563.632	440670.6364	435598.8206	350117.0972	339786.1212	351340.7248	423393.2136	334220.926	458115.263	383267.8124	382437.426	385328.6136	434152.4741	363943.426	358522.71	361963.812	380398.3248	323652.926	410901.1272	390586.9088	425396.6136	411437.1248	379795.426	376435.9248	412217.4144	356904.4752	328762.812	379795.426	358782.62	357998.926	341503.776	369831.9248	408320.5284	374454.7248	425863.2984	391996.248	381127.6224	391023.926	362739.5713	412820.426	389944.8124	439138.3425	365869.5248	410838.926	394570.0092	327211.5787	323359.776	276911.174	401235.6112	370030.1088	372295.9776	393665.926	357703.776	396912.0787	370030.1088	339037.545	394266.7248	350638.0224	387721.426	417380.7248	323777.3088	279314.8236	328624.3344	348885.21	408795.5248	360199.7184	332348.3972	357627.8364	407598.1272	389643.9248	334698.1088	357284.3248	383931.84	413480.926	352042.9088	370672.5088	388015.8425	383700.3248	362567.5248	335193.4124	427474.3776	410595.4376	382795.812	373150.5972	394246.0184	342930.0984	343415.9248	369860.0972	416648.4984	408919.3272	374936.5745	320299.812	357338.426	355224.4124	380389.6972	405362.1088	376498.2984	412757.9248	410654.4411	420077.8413	411037.0907	367283.4984	437322.1364	394209.7972	464044.1758	296085.4114	377814.6984	380087.7206	433410.2136	410670.303	440147.7486	437543.464	384837.8245	382822.9177	391292.9258	358616.6136	386157.9912	362670.5132	402387.6132	478173.8364	353167.776	344246.4984	359415.0132	363904.5124	367941.6984	400628.0124	407880.6816	381816.32	355900.4258	438964.6578	287719.776	405718.9812	398062.7229	407533.812	367906.426	411203.8364	446031.6124	375181.8984	435078.0984	434680.7124	423329.8124	411978.4972	474603.4012	408600.8245	357519.1008	392758.8245	425267.5364	413294.6972	428672.426	386312.5972	414674.8657	368053.5008	394229.1514	418551.1748	429592.9308	390667.8132	354696.426	426412.812	390919.2972	475886.4984	430017.177	455379.4124	369258.0984	356752.2984	393611.4984	376921.677	447434.0136	439420.4136
C455	Creatine	131.0695	C4H9N3O2	Organic acids	Organic acids	57-00-1	3	77255.19017	149238.3562	83499.7632	63672.87125	67591.5368	64955.2644	68916.82133	69023.0268	71100.98917	69314.10683	83285.0148	70173.97943	68577.7828	51801.795	61388.30963	71420.2344	62542.10625	66102.0156	80152.108	89089.0344	55456.49783	50261.6148	122945.2312	63045.99	50813.5356	71314.29363	99557.8488	79229.2644	61701.64	58176.5356	70375.5725	44512.2136	80142.85683	71599.28533	101800.3568	80142.85683	34463.0136	86366.2644	50123.4156	61373.0235	72092.2644	70447.038	76823.9148	75185.728	47376.8124	41230.6075	69738.808	85652.5644	57526.0488	40585.24625	46881.8775	62510.22057	60673.0644	70032.21333	60174.74625	55497.7368	62035.201	46399.0644	54725.23125	62091.7632	32405.2175	52001.49713	44633.80114	49680.37125	67096.3644	50379.99625	44187.8285	65384.60625	38311.679	56569.728	53528.5632	53150.253	66342.546	35741.1235	61386.7644	62900.0775	65942.9865	43518.79875	32390.451	54577.74625	38862.57488	51028.48	36479.152	32417.469	51213.2365	61849.14838	55414.451	34546.701	57525.37475	42645.6524	75660.7644	53317.12475	59630.2365	108646.7568	46135.008	40444.996	68265.358	46730.6256	47826.4644	85989.3665	61033.06983	47370.358	72516.5148	55414.451	38370.969	51769.995	58523.7632	47586.5785	61025.81867	41427.828	27873.8285	79064.62125	46727.4676	33585.793	63175.0136	57904.616	48281.12125	59822.0785	37834.6644	50757.86767	67096.3644	48403.18613	67258.88	49625.8285	51014.16667	60681.5656	41393.74975	49605.8256	21756.0785	79640.865	68288.4675	99692.12662	70437.1368	66471.37125	49690.08	39680.19	68757.72933	38771.1165	61186.8384	55976.99625	70371.3575	40599.19733	54072.54533	51597.64125	77334.295	76147.05	67900.2435	78364.99625	69048.5175	60827.7435	49426.2675	88124.60625	150896.8225	80676.5175	64107.9675	74783.808	52503.31625	37071.5175	82099.58117	101608.605	75679.9935	60410.23125	60120.4935	50926.2435	60377.616	99982.9425	100919.808	66046.2136	59129.36533	54821.13233	73314.97333	41269.7368	71780.23125	64897.21	116650.08	73912.10625	81728.98125	50926.2435	112819.7853	76128.3368	77686.1925	74947.0644	63183.8148	68959.97333	74876.808	81417.26875	124905.8136	97345.6488	76158.3935	87755.6925	70729.2435	87870.41567	90967.10625	86144.6136	78536.1068	68580.295	55058.808	44160.03067	57691.19733	79805.7	111293.6337	74222.9632	53950.9425	59929.19017	53222.44125	97210.08	73994.1368	76944.14	54561.4136	50879.7675	67610.5392	66257.74783	87429.3575	65337.5148	68209.1148
C456	Dimethylmalonic acid*	132.0423	C5H8O4	Organic acids	Organic acids	595-46-0	3	63604.84679	164921.52	81725.817	98688.108	66016.85494	81524.448	65394.0672	104382.1584	49766.83833	78891.48887	78264.45483	95483.9743	93872.47133	80372.21225	58094.4236	68876.0415	29222.228	77750.88113	74794.0224	81031.37075	78704.50933	99511.86494	34903.842	177822.4907	69441.8053	79524.67133	88540.22257	35357.373	73070.98667	84385.62167	110150.1853	27709.152	116492.5922	43269.73	49360.1375	29151.279	71236.31	36722.258	41701.9312	69225.88487	89576.88753	91166.2101	28172.85	54799.056	68122.06024	94738.80487	61653.79827	70526.96459	65878.42492	67694.16427	82533.85725	39393.40667	92296.15547	59470.39257	60889.81429	48220.4616	103284.6453	29495.85	69999.13108	118488.7428	95389.69365	23604.4116	73425.85971	83293.06587	88342.30167	127281.3384	102567.5927	62880.43353	91829.69062	63937.82875	56389.68571	76421.9106	58712.4694	107119.5941	144877.0064	83724.58182	120669.8544	54807.49967	54032.44786	93181.69733	63664.506	36777.0988	112536.8676	69385.51165	51596.91867	28275.50967	126622.3828	74771.00887	104966.4704	46035.63875	116033.1413	81752.67787	95812.89033	65491.7295	118905.296	85743.25067	90452.4192	94013.80463	69855.67708	94899.361	118150.48	89382.21667	56784.9924	91204.15947	120232.3352	66315.8908	115825.968	75807.65829	107540.6887	139474.8259	91478.395	107865.308	93731.81025	78322.49083	93624.33071	97568.9026	133435.344	138669.3173	147758.9981	120718.6759	65274.7326	174350.4002	72087.29733	131496.344	47085.3575	124338.1933	102428.9413	81825.8265	55663.83817	48092.73933	72942.43667	128870.7738	110545.2015	102404.5675	56306.9232	63200.2245	159320.3995	116158.7648	112628.6243	95618.7575	90085.56207	46974.02625	93754.86633	62183.457	99277.23486	120884.0371	48253.803	99628.9785	121031.1984	85658.41071	102899.0564	53080.85667	116611.5379	76057.23	57421.49	98962.27646	33084.162	30120.967	89491.1238	46547.992	113202.5149	68208.5712	74448.34467	56128.48214	110193.2694	104957.7292	79637.65429	52856.23447	93439.79507	117399.935	55673.585	116149.4636	137157.559	108127.8097	116756.2194	110650.222	81172.3995	172467.554	47270.452	27860.772	64582.0956	72064.0324	53634.4064	58610.66625	54133.119	90275.97886	98044.53943	65667.88267	145887.3186	68520.68571	118414.3131	67874.3	51117.85714	63099.34529	50817.36533	83562.40367	91225.51533	53263.2435	84795.59208	94054.58557	46594.928	82554.116	39543.541	78040.1536	60497.7576	91377.806	100962.862	103076.0052	108276.8239	56839.293	104563.4772	67878.14527	130171.9461	45334.926	85132.7654
C457	DL-Glyceraldehyde-3-phosphate	169.998	C3H7O6P	Organic acids	Organic acids	591-59-3	3	134387.552	127695.6038	139980.7575	106035.2462	143010.2667	150193.5075	141186.402	164280.9388	153093.0324	88031.495	168182.4788	167615.2575	137792.5333	120756.7575	118798.1472	170018.2575	195831.0233	155742.18	189520.4025	136376.2575	161619.552	261009.2215	101656.728	189233.037	311950.2568	96681.537	231276.1712	174154.4025	166358.1713	184398.4025	88494.4035	99666.22875	114851.552	210711.385	152429.5678	335563.4568	177332.795	76836.4025	226654.1695	318046.495	226359.77	202490.272	147684.3713	131897.9025	362599.9954	138907.3538	121104.995	100051.552	97025.8312	115296.405	180502.2653	266995.552	141491.552	161102.4035	195363.552	159472.995	125178.9775	459484.1312	105763.8933	198458.34	290039.6525	206352.2963	211919.8725	144193.1173	166542.6568	160435.552	109445.292	217365.1713	212621.3035	133973.2575	166413.7575	217353.6225	117465.6525	208297.3725	300274.3035	89987.552	98275.552	115104.402	183523.552	169417.5075	191894.952	249845.5355	167615.2575	187075.552	223485.0075	186574.6345	138531.552	433527.2288	212815.905	159843.552	188771.8005	207525.402	227177.952	105511.9035	277579.9347	218298.402	171965.633	105638.426	190856.2462	138284.4788	290769.0075	64102.6535	181441.728	205427.552	70481.3035	201283.552	201044.9025	147627.6037	196410.3812	274691.552	148055.6535	330418.5075	157593.6038	144485.495	204789.8612	127875.552	216675.552	645376.728	140307.552	239207.3612	333891.552	275014.1345	166207.6535	165234.5475	200099.552	247463.5062	175656.9788	110942.2548	333244.3538	114763.624	216258.2855	181968.795	306902.44	166947.552	229014.995	230001.1155	128467.552	162804.1535	299463.6225	144409.958	144652.1535	153477.995	129634.1345	158659.6053	210869.2575	103611.3637	254139.2288	166503.9038	352511.995	194679.3324	127979.2885	160756.728	218059.8822	220513.5265	110507.6053	259122.2288	176136.18	137923.6815	125537.6875	250401.9788	188332.29	125826.9788	193058.7275	106009.8845	120753.6225	176100.5537	138060.55	211160.8537	61874.7855	160686.18	143890.3537	117123.435	177368.0888	116790.0825	104318.995	235415.0882	122065.2275	178112.7275	130364.5475	82390.43625	143036.1683	125042.952	217581.9324	156609.0548	82736.995	116695.488	144208.728	97519.728	79139.995	228698.0656	271062.7467	234748.2097	73505.47875	164581.0105	152862.9868	111761.9396	100122.495	82137.495	110913.495	42437.46	136241.133	137019.9025	176288.8644	117861.3035	235724.8656	129349.935	188425.2868	170107.29	251024.8538	131062.4548	103127.44	161623.488	142354.8845	138907.3537	118951.4775
C458	Fumaric acid	116.011	C4H4O4	Organic acids	Organic acids	110-17-8	1	1166065.934	1082854.086	449308.8275	1063912.363	1148275.133	1392031.363	798897.2722	896615.9931	NA	861501.292	844392.8736	798581.0915	592606.841	981771.3127	588545.701	859370.6491	725299.0009	940109.3144	746521.6503	567397.5775	744719.9086	473037.3669	1100280.623	837307.008	964482.3634	675279.9086	907506.4058	666679.7036	518328.7498	366518.7931	1656099.772	1046191.982	343755.0777	502566.8503	703123.5063	585938.1491	NA	1247864.186	552590.402	425769.7365	404163.936	1612487.572	609748.5531	529121.0063	603982.9091	358065.201	610799.9086	922108.9644	796086.7722	577930.5161	765957.4395	NA	642002.0331	745910.5097	1180506.222	478908.7234	612244.224	649654.6057	827257.1246	1170444.506	488278.1771	1305361.201	704234.2781	485846.7931	1512264.153	1066043.006	677345.9383	659021.4114	1023255.152	768706.3286	865696.6512	582522.674	758465.664	551427.674	898615.6771	904135.9032	2312170.788	NA	683995.032	450441.108	800509.7797	537339.008	574424.0331	547587.4629	501638.1213	NA	398624.6057	NA	761282.858	785590.2698	1121575.07	NA	879847.0421	1114375.897	860378.664	1087785.157	556838.5097	658488.636	554483.8914	868809.6743	419960.7175	597007.6526	502118.4124	550346.0343	968269.6057	392998.2267	443405.4617	542646.8	1632713.819	715689.1851	1564862.027	724061.0331	342280.022	NA	790556.0475	493846.464	579311.0343	NA	1007474.89	617671.104	629881.9865	NA	1237677.87	855289.5488	NA	1014907.578	1045654.549	992272.8503	705187.6766	676498.674	NA	1140136.763	NA	888400.0766	956725.3016	792543.293	1081483.035	594089.6062	639107.5895	460530.0161	990566.8389	737708.5526	471543.3677	1060034.194	502843.0777	1008691.565	820399.8684	840908.4853	1292895.518	598362.6982	942411.3371	924244.5531	1857459.017	NA	NA	346332.5109	1163044.402	631088.5467	772432.0526	404130.0136	1301648.624	931423.58	581138.4394	808644.858	565732.7156	852085.0594	615589.104	NA	580331.3371	592552.402	714925.31	1028824.666	657259.5634	849293.696	1535921.137	1169565.696	556599.104	537222.3909	743045.5316	585999.9086	574069.7726	793229.7796	878372.0234	758795.4103	869516.124	488080.353	1063788.214	706022.8389	724952.9811	1301527.253	961102.1743	714950.055	934829.104	1149399.343	686266.353	647112.9536	949139.9277	402921.793	484111.9834	722622.555	NA	872593.0834	658845.6309	496451.1491	1054167.752	441144.5175	842517.0539	574540.1558	1342146.267	NA	648419.5526	1079103.511	637254.5355	620619.0823	729507.6259
C459	Glutaric acid	132.0423	C5H8O4	Organic acids	Organic acids	110-94-1	3	879269.8869	1551876.381	912611.6842	884971.3845	692086.0019	805853.0497	883440.7535	756163.1449	846202.0457	671409.9318	923545.9391	955452.3157	916247.6353	755735.9425	696980.8515	1031387.577	764169.7883	662598.09	973878.3543	797320.3598	841323.6217	808449.5735	1386148.09	1728539.692	768712.2012	753337.2458	1034389.699	741124.0882	785260.96	720029.2388	981254.1725	551056.205	1245854.215	743886.5414	815466.6419	674742.235	631572.4022	922557.1875	612246.1505	807126.999	850878.1097	895584.3186	891201.144	876658.0952	672329.7573	958231.722	620423.7519	672528.9643	672045.0037	777903.1846	748548.3012	746139.5091	982614.2113	636323.6633	678097.7279	727230.6055	863752.84	620660.7627	744404.1558	1150407.188	877905.7603	749499.8	802687.0033	840981.6908	944430.4182	1280643.931	1182731.318	571593.4735	784118.9338	1074094.829	764078.4375	777833.2691	1056348.137	978996.998	1187292	956128.9659	1214615.958	837539.5607	779645.7415	986837.8125	687846.272	963992.1882	1144996.875	855923.2554	855810.6827	705936.0146	973388.1564	852702.8087	1107806.128	1076786.163	1212175.265	949311.3275	1043854.165	312263.952	1301776.089	815942.1433	1012217.715	886886.7571	739368.7737	1124669.416	1176196.04	1091453.538	1053837.054	963839.6302	1178029.092	725725.9728	929315.5118	1220038.093	1158105.69	1620468.077	971481.6658	976897.1853	1152215.384	1063209.188	850582.9585	1146876.072	1217018.603	1305009.345	1446586.525	989036.1577	933556.0862	1728016.18	1123755.863	1250417.394	999165.0713	1195808.071	1088571.501	839581.3014	824048.4167	1289551.061	676114.4433	1195966.657	1000513.433	1029589.665	965070.7415	1146042.858	1662436.875	1307673.304	1023865.776	1440287.681	855533.8617	959740.3483	1044253.072	920620.6625	957376.3082	1310316.188	1506660.588	935172.8	1218890.536	928431.73	1205914.498	959903.579	1161686.07	887836.2781	1465200.394	934219.836	912169.7165	713369.25	823136.9647	1046538.36	1083941.936	1103113.837	1307546.845	839065.7406	1136292.081	955704.1162	852328.1054	574806.5265	941875.4166	1302774.395	884563.4158	1293863.419	1218883.214	1118416.236	1128194.581	1356285.193	901770.0242	1773731.555	1014602.29	1021790.805	1276519.784	867866.4558	600612.48	1101894.69	741183.9631	860444.553	1054521.313	978444.2214	1512231.388	1070920.956	1056710.901	770288.8365	1122352.872	586968.112	603473.8265	776804.213	892014.944	984076.0285	860699.0737	968342.2041	839828.4012	756457.2413	946650.654	833572.1892	586870.158	843144.7152	948867.2505	1039849.014	911141.176	840714.3068	868320.6739	691058.4893	1414046.998	760026.9727	831618.9
C460	Iminodiacetic acid	133.0375	C4H7NO4	Organic acids	Organic acids	142-73-4	1	1305839.762	1891439.559	1502491.329	2319631.194	3536278.566	1673967.726	2344798.45	1661489.717	2050548.238	2098209.805	2338154.864	2500306.277	1375792.903	2258611.41	1513184.557	1516148.89	2144117.647	2319921.322	3508472.442	1628406.924	1735855.883	2050641.631	3067387.009	1116622.313	2242276.392	1806954.08	1747979.872	1840578.506	2414504.218	2294504.85	2746123.513	2790953.814	2499697.895	1909838.328	2154310.343	1987970.66	2829328.252	2458861.662	2489991.375	2074925.098	1990672.302	1994940.647	2557157.99	2341499.789	2404150.278	2985065.115	2275150.253	2414791.772	2320159.993	2129015.945	2729146.998	2107463.46	2111662.098	2042804.038	1072563.777	2407195.277	1838671.805	1659918.185	1815793.979	2700231.965	2205500.954	2968362.757	2334288.546	2422093.405	1959342.722	2277433.743	2959359.438	1250434.265	1982152.646	1934497.982	2096829.062	1960673.064	3145811.91	1717646.575	3844638.353	2076130.032	2778097.268	3051771.667	1793591.791	2273554.875	2531740.323	2378652.213	2467860.5	3472657.637	1617958.053	2930323.792	1988765.798	1823223.099	2134096.924	2226036.471	2183097.539	2398793.444	2085476.333	2225373.016	2638561.74	2950607.71	2201618.91	1825058.599	2519249.823	2218999.463	2070386.415	2329033.352	2547987.028	2383823.28	3206138.754	3727695.479	1939382.903	2112850.873	1166419.665	2605184.463	1769135.147	1688641.65	2453037.478	3354423.699	1646851.866	2246084.859	2426444.995	2288713.425	2503727.538	2005226.883	1920164.565	2098729.802	1871382.551	1938089.23	2713938.111	1957256.808	1890440.112	1709919.198	2232928.625	2525774.52	1953666.39	1759172.959	1427368.055	2028057.504	1751496.26	1661325.245	1420327.684	2422447.104	1263895.527	2838679.265	2944177.566	2698641.791	2951138.09	1945824.594	1714818.474	1652306.928	1992811.133	3572895.035	1450661.66	2764387.002	1830765.515	2209602.282	1395989.6	1681878.185	2293084.339	2205474.381	2328450.622	2429253.5	1495354.711	2350897.82	1616672.893	3119623.4	2150805.9	1554467.981	1673095.662	2414423.075	1905692.827	1583857.652	2013381.167	1876913.07	1994733.097	2321179.42	1524931.476	1970845.78	2587271.951	3419473.795	2174793.076	2460542.355	2145587.58	3678068.451	3019330.674	2410157.796	2166018.004	2619288.096	1675441.605	3142227.136	2209698.793	2236278.682	1991343.382	1651163.676	2562404.14	1945761.006	1989856.918	2939566.582	2635426.235	2012567.013	2459546.369	2525807.336	2356687.101	3459442.688	2655884.569	2573195.157	1703966.772	2147574.557	2689633.868	2440287.455	2915600.64	2682434.899	2395920.164	2848961.23	2005034.106	2003340.993	2128506.16	3180698.097	2456823.831
C461	Isocitric Acid	192.027	C6H8O7	Organic acids	Organic acids	320-77-4	1	29939052.41	32979932.21	30701090.77	31388841.5	28943429.76	26580949.48	32649789.1	29483210.29	29655856.64	32500720.32	30304323.45	30418534.5	32170100.94	31753519.89	30172802.82	27519799.65	31970977.28	27249948.87	31170650.97	30243386.33	29329541.38	26897597.3	33705430.73	29689284.66	30923505.42	31752367.59	28261775.51	29951164.13	30401527.54	25980879.15	26138185.15	29775911.84	30966861.34	32415806.53	33064575.73	26927193.77	27977759.45	31539936.47	27926094.91	31095598.23	29774083.6	29549855.85	31603523.73	25799297.66	35147085.01	35022084.46	32530373.63	28939447.21	29188350.34	29299509.84	28253540.7	29475889.74	29033917.87	25321552.88	23676567.98	28369044.05	31372520.55	30574913.86	23579324.68	24614600.82	25447483	28029284.06	25936823.2	30856546.73	26186281.31	28721410.94	28235935.16	29839874.06	26467295.91	28455153.29	25532194.8	23008116.72	26830840.46	25814270.63	22795874.27	31911121.7	21920276.81	28153907.94	27812974.27	26049662.65	26564916.26	23674422.97	27423668.62	32428926	23442488.35	29438539.29	24268871.94	26389221.75	30176005.44	26874351.49	33621529.42	25220968.6	31673664.72	19784638.27	26667783.02	28634659.25	30109407.21	30260106.73	24341377.3	26029992.76	23901234.2	27714479.01	27747311.18	28695191.73	26832969.88	27089968.01	26669273.49	25896303.42	20006546.07	26539147.23	25142596.88	23379088.32	29996500.7	27231835.64	24055846.25	27541305.04	25011103.71	25753136.72	25293457.87	26143399.41	24502401.9	22280555.47	27941156.34	29426226	25729627.39	24518009.19	23920761.66	27796749.41	27957298.33	32569684.68	28671631.95	27137010.86	25096605.13	25813943.99	24503597.66	27762652.32	25632893.05	26670721.8	26452889.97	28482551.84	28412011.89	24584322.17	28855038.71	25694993.22	27026406.15	27003980.59	27812880.65	25982871.62	26916906.27	29210867.57	28214667.72	28979100.29	22575591.52	28432893.18	25708916.51	30523453.48	28238490.15	28239951.49	27690648.97	27968380.65	24796866.13	27133943.89	27908849.31	26437136.56	28987362.17	31685871.37	28247337.15	29748299.71	29791318.88	27686778.52	27725241.33	25993234.91	30933838.38	27495437.93	26855615.81	26579887.74	30660004.46	24198665.4	24024336.61	30325308.93	26001657.57	29918590.39	29525672.08	28436714.82	29324794.1	31416784.11	28549353.28	27118535.63	25293630.97	25758659.49	28198088.97	27760694.4	28408778.65	29797169.7	31534321.22	29259840.53	27505494.37	30257246.96	31380392.69	28492704.14	29512876.17	32231588.39	31096460.16	29614483.56	29354759.77	29618721.8	30037988.71	29270482.56	30157437.24	27491921.64	29731426.79	27886763.81	27676738.59	27459008.77	27979259.02
C462	Jasmonic acid	210.1256	C12H18O3	Organic acids	Organic acids	77026-92-7	3	27704.425	32554.43333	61580.89583	NA	NA	101011.7112	68425.771	NA	138075.4535	43766.85233	38434.8285	68710.07917	53655.31875	46322.90833	70365.67345	34277.90167	29482.13745	36580.532	42197.51283	49727.9685	22751.6075	105402.64	34918.23764	68625.32567	19614.62417	41570.964	30125.63125	35229.14	85250.4895	127045.182	51138.76317	53332.108	136690.2335	33335.98333	NA	33099.551	92286.00545	56946.08333	79116.6855	31884.417	89807.94167	24162.40217	36791.95208	76319.28333	45649.04233	43928.86667	NA	42360.22083	32634.61667	43612.899	29859.67575	17792.64713	35027.97113	18973.66163	30512.67383	57960.43017	52163.475	88150.92733	43824.564	34669.60067	NA	22563.31314	73590.477	81931.60463	89422.229	18532.17625	74042.62708	47062.038	15538.222	NA	32510.232	23083.4425	115850.0457	40647.31288	31721.47087	NA	NA	NA	NA	NA	NA	14832.60625	NA	NA	NA	NA	12959.1405	NA	7237.646	NA	NA	13502.95262	10349.346	33809.89767	NA	NA	11877.78625	NA	NA	NA	NA	10291.578	NA	21321.2835	13663.6815	21341.21458	NA	NA	18579.7065	24164.09783	NA	NA	NA	14963.133	NA	NA	30153.483	40565.24062	NA	NA	14446.81875	32007.15833	24799.842	NA	16163.09467	19506.7425	NA	NA	26985.68717	NA	NA	72303.00533	33259.65383	18332.07692	19693.47267	NA	NA	22753.84375	23793.21867	NA	NA	19380.83125	NA	28736.60354	NA	54965.25	10426.356	19429.35863	60555.72633	16797.01154	NA	22162.37133	98755.384	NA	105659.952	NA	NA	88150.92733	34365.2	NA	46354.43967	29101.217	15865.95583	NA	NA	NA	NA	45967.25833	73416.01667	12928.37315	NA	NA	52715.15077	NA	63512.69333	72076.00733	NA	78565.032	NA	NA	NA	NA	45736.88	161407.7208	36410.09867	NA	NA	43535.43333	NA	62257.338	40588.58942	NA	NA	20778.014	NA	NA	NA	17275.46	16554.79367	NA	NA	37508.4745	21460.76733	107765.9687	25045.1745	70305.44092	60785.02675	39131.33467	18160.8875	65717.58	69827.86533	90990.4	40481.824	50521.296	20477.7185
C463	L-Citramalic acid	148.0372	C5H8O5	Organic acids	Organic acids	6236-09-5	1	1186983.67	1584218.122	1533112.662	1564925.451	1214276.49	464024.0786	953722.0122	1302295.883	1214743.72	1378287.545	1091676.996	923850.951	1234729.192	1390844.17	1239794.31	1543739.545	1351713.997	1076858.953	656896.3286	1235732.92	1118209.636	945053.1	NA	922775.7607	1689987.295	1181206.636	1584524.853	1103157.22	643173.4998	1100224.015	802946.4971	1015954.935	1678361.274	1442497.258	1467785.359	943277.451	577945.6248	1140420.451	989265.2467	895790.451	982935.3271	1287749.342	895370.4971	1061275.451	1023289.441	1104768.622	1272502.6	2381340.295	1950815.852	1658488.623	1123318.824	886106.8286	1221723.951	1391427.435	1066404.577	881255.0107	1461467.497	635931.9536	1679530.372	1300983.219	1241150.451	1140448.375	1065502.752	743705.8322	960180.9536	991050.2233	745932.5656	812978.6884	1013700.387	2142025.795	1129627.951	1295150.753	667614.636	917439.3144	736560.9536	1674289.451	896055.8333	878996.5223	1028572.578	825351.9467	1156868.45	1032304.636	753774.6311	834469.3298	1388049.015	950748.8359	869168.951	1793771.498	1977742.185	3273874.656	750537.2036	911800.1248	952014.1667	746588.74	857856.636	1051966.996	1625375.685	1568946.79	1142451.22	1542204.996	1028514.167	985444.4998	1302613.747	983569.451	744946.7036	718073.951	1030966.887	1998681.997	872690.6374	587382.5865	1045559.497	1124259.553	1220573.259	812454.4277	1213920.941	1953297.079	937521.451	1308249.268	784010.0775	883973.2344	869888.451	801773.0656	824128.2497	1370487.622	571641.2036	1149727.887	851481.8748	1490234.61	846318.0133	1094645.253	1504558.23	1696225.356	1126800.136	1164782.262	1288076.711	1216284.511	1300149.451	1833892.996	1063377.439	703017.9536	2018852.742	1045467.99	1144098.101	998963.1686	1326583.795	1347056.61	993708.3209	838788.0296	1901619.919	1419160.219	1307200.636	2214137.101	756012.4346	1517917.294	642992.3028	1615406.623	912560.753	1097554.857	1304114.49	1294558.996	1589340.83	1828838.996	882449.7483	1669421.497	1389258.689	1962481.122	1526643.498	599351.7722	766496.3664	1443451.347	927863.3096	1895578.23	1309947.748	2480588.281	957853.6357	1122707.72	2407369.372	1216688.31	2167918.181	1028009.386	1761126.121	871195.8322	1018254.164	877618.9344	1033875.99	1252559.731	1548045.601	3015274.423	2923698.156	1796863.476	1109823.06	1372758.38	2786026.352	1165871.113	759956.7111	3191353.422	2837455.356	1465409.011	1252666.232	1306712.888	1491043.998	1354097.833	1637347.122	1277844.951	1506726.933	1807531.919	1976764.357	2261057.853	2166665.101	788191.2608	861511.0467	885550.2608	1136012.656	653050.9384	1375333.728
C464	L-Malic acid	134.0215	C4H6O5	Organic acids	Organic acids	97-67-6	1	18366340.75	17896598.06	9293294.769	11292927.1	12249532.97	34969786.32	17956890.18	24228669.24	19234301.02	20897138.87	25325244.05	13104873.68	15971832.82	14271984.67	23024890.82	16370420.17	15572204.34	14167727.44	19384808.8	15285337.21	16134500.81	21896841.24	14308368	26342281.33	17619246.49	12387764.48	14950837.38	19855981.15	18172600.59	13889852.14	29419769.96	23336385.28	6125805.9	13790716.73	11977905.04	16890035.74	21691504.21	18951797.32	20414364.57	14001422.16	8323197.573	24341527.37	13992705.13	13183029.59	13457798.88	12139310.48	15203557.88	24167860.21	14957064.83	8890080.037	24912293.46	12196204.74	24610841.67	14101746.81	29477430.38	21112279.16	19184470.11	24089291.22	18615496.8	14576948.2	20177772.71	17360995.15	20413281.64	16679343.96	33373814.86	17000746.8	18640127.84	16123571.47	30338586.88	18559572.49	13889753.13	21035909.97	18594620.02	25515836.42	34905462.95	14905587.24	34735520.95	16313718.3	28177483.81	12966488.73	15586599.11	21715221.17	20225054.7	17554310.99	14441950.73	15806423.56	19873486.71	18120275.59	17153159.12	16495402.55	35597461.57	18496445.12	17942872.96	19257629.76	30566757.21	30448141.14	18926792.97	17792174.38	18023933.8	15663692.95	28832236.86	8936592.952	26867772.41	24177064.94	14282127.28	34070936.62	16251068.7	20280957.85	41608048.96	32312362.71	27762852.37	16880618.71	18679602.13	17126946.73	28906088.02	16992269.93	21658574.9	19486146.42	31391276.12	24834105.3	14947007.82	16584857.96	19946464.63	26274178.04	24354999.05	22806855.01	24856569.64	22874479.39	18927443.18	16880922.48	24351515.67	20384959.63	33131957.41	21481305.91	26375184.51	21772572.58	30141425.69	20281429.9	18282567.01	11839792.97	21415023.33	17937566.01	12797067.26	33497870.59	16136721.9	26573750.6	14800855.02	20814532.78	39075873.64	11358434.48	29921824.08	16706983.79	26787351.39	28199206.85	18949436.73	14074347.83	33758434.32	22139606.81	20142212.42	24005562.83	28333680.3	22195522.52	27843831.58	24521559.97	19947025.42	21409546.91	20569587.61	23263526.18	21529754.47	17974317.1	26065717.49	21952587.22	14620268.03	18722360.29	17521267.14	20025536.41	9924541.8	18040213.62	17202342.28	13110740.61	11132774.48	13943638.28	17379084.11	12291452.04	24560809.51	10679634.57	21763004.62	14282788.98	13280884.3	21661529.87	22758458.66	20895376.15	19629346.5	15108082.51	16894654.96	19775672.16	20649962.56	11966003	11870482.64	10361350.78	20566163.34	19772023.65	17208520.82	9482762.882	21814907	21543308.27	21359436.76	16260046.12	16668459.95	31120561.63	14332576.39	28739086.03	31387441.79	23585598.46	18802557.04
C465	L-Pipecolic Acid	129.079	C6H11NO2	Organic acids	Organic acids	3105-95-1	1	995821.7143	857934.4528	984765.3861	913483.7669	423228.4037	462915.354	319383.0495	884979.7391	397165.8268	595580.8656	1048276.252	585612.5398	428801.2503	581229.7312	365990.9079	282128.6298	1124366.923	1104379.547	1070069.487	324011.73	551247.6095	294098.9538	407672.8273	243859.3414	468310.5248	699928.8231	764739.8241	1041889.486	864154.264	512750.9538	851656.2434	643188.424	317939.4446	732845.2509	420403.443	621898.7244	642521.1697	228440.5785	413407.7461	216875.5179	343419.9243	362080.2757	307922.3868	345613.0417	541324.7022	222071.2308	382861.9267	578361.4252	497391.5326	1410102.72	390899.7692	896212.1	991460.7792	834411.1177	1898530.484	617731.6215	818151.5608	444973.6762	577865.0077	475170.7458	644714.6767	1247724.298	439023.84	1142040.937	469631.0769	622683.5456	1808786.224	525619.9091	413873.9736	723238.5692	638102.0357	533413.7669	1504221.647	909851.754	934471.1278	575073.0964	901968.5612	874973.2671	367755.0429	830518.8383	243147.456	1094663.564	293667.5428	287375.5431	390898.6469	377091.344	585169.288	384511.0111	522297.7231	579543.2049	334198.8923	595411.8386	422297.0334	664424.9231	649911.2308	583240.2287	637362.6054	566584.6481	642517.6625	693347.8316	395453.9229	432520.2813	416259.1911	180124.3946	386809.9284	537167.3475	425675.2276	817068.0577	828057.912	482024.7287	339645.5036	407546.661	317890.2992	421323.4112	434437.4806	561850.1857	491743.3846	476571.2497	342518.364	989133.3827	463357.3241	763807.3693	923082.8319	391029.0804	473625.2537	1238738.861	731304.3785	1035441.228	1114744.038	742689.4911	834311.2809	395139.1667	658473.3928	641475.7233	849741.0154	638188.7998	566585.7034	844768.644	777180.9894	1353768.693	960763.9485	580765.4006	182587.3378	227116.472	485721.6771	414468.5554	728859.5863	507398.605	990410.321	260216.4867	546918.8571	649398.1689	613790.2908	540741.9902	892636.7692	362820.0056	569955.9161	269173.2548	215188.1632	507594.5391	724699.8711	940867.3319	348271.5385	410631.4768	347904.535	490796.3769	423275.6705	600087.4843	596192.2923	485064.6944	729555.492	833986.6673	395265.4106	716713.5485	682127.1292	1241106.09	433973.9385	511023.2065	780408.9992	387402.6154	398689.7069	188499.1928	530188.1991	910759.4008	719001.9338	345608.3888	732294.5462	705528.5705	712279.9308	726038.2457	552200.0754	1181407.047	622640.7324	437181.4938	292262.8473	765050.4526	510994.7782	255602.0822	495531.8278	408969.9665	871571.2131	413828.5735	920614.8245	681311.0383	639122.8611	719492.77	334788.8916	651184.2469	518378.0089	247308.5254	497314.847	491535.6902	620521.5585	404530.2118	923358.5524
C466	Malonic acid	104.06	C3H4O4	Organic acids	Organic acids	141-82-2	3	113874.2985	131434.8494	160674.4719	NA	154797.28	155366.4014	NA	146904.2231	149509.1618	147029.49	138335.35	121299.175	153668.4607	169358.5369	114396.4144	93430.45833	173413.1115	192048.3098	256427.444	146681.0517	123485.6543	196168.2641	443942.2098	121416.9914	77489.8228	110293.615	149813.928	229403.9917	141543.2856	157780.2117	127729.6735	204071.0808	118686.5155	166804.9125	141359.225	195875.974	182992.8516	305429.366	156391.9494	137021.4685	150542.6345	216242.32	121822.9553	147149.751	193128.3461	98510.13575	151356.5438	200011.4981	170320.1944	137528.6332	125631.9225	164999.163	168359.7281	136569.675	172273.144	168818.5186	147460.5485	134606.6085	117105.2438	99399.25543	142080.4	225582.2703	144860.5118	171195.7083	171289.3283	222911.9839	171623.0835	146022.129	180209.5149	112909.5451	131241.1439	103170.0328	501021.9587	110000.2862	135347.0929	149361.83	186214.7934	132615.7147	105340.4073	207453.1725	137513.9677	104378.1719	129983.5491	113809.6033	103133.9957	225018.7152	150758.3357	77672.5125	137861.2777	NA	228188.1587	98016.44914	206488.513	156971.844	134475.6172	111310.992	106677.7965	144562.5218	115851.0332	132881.2656	187559.543	NA	168885.8118	154480.2077	243658.6776	98358.35	130747.9705	118798.329	137671.2783	138145.3637	112441.4541	217605.198	140538.6463	125629.5075	183566.4109	132687.6316	234939.3786	139341.7083	134879.886	96951.803	NA	101945.6179	162135.2229	145102.9125	116768.5586	101563.4977	123268.8105	191873.4511	102438.6867	137121.0929	125932.9107	159269.6153	178509.072	121330.6046	162049.4476	145980.549	127866.434	224723.3981	141634.2021	202165.2901	230345.8133	125771.2967	163768.9234	113678.1505	211361.7021	166767.3203	181385.5873	199408.964	142912.5156	179307.6188	126280.0463	162618.192	184057.0335	120087.6789	115254.796	174054.8206	228129.1362	139798.8312	178526.3962	130947.5797	140807.7743	145682.2869	190111.2593	143502.3642	90997.46667	238468.3538	170334.5767	156863.071	168819.8065	145801.5404	144447.5267	129155.8323	200757.312	147249.2761	193951.8907	146773.907	149752.1469	124414.8044	133915.58	158974.64	127865.192	124107.675	169028.7164	131980.4743	171720.101	123836.9085	181976.172	151295.8538	NA	183552.2013	234271.2963	199616.9827	NA	145617.7725	203924.091	135072.676	166383.7388	133993.0908	198323.7349	206439.8983	243992.0962	135570.301	163734.708	136083.9014	195756.9866	232698.113	146084.9491	151800.374	156157.4166	144117.3426	137177.1405	154308.652	91911.768	233672.4201	155832.8625
C467	Methylenesuccinic acid	130.0266	C5H6O4	Organic acids	Organic acids	97-65-4	1	314929.0512	420579.6364	212476.6512	188910.926	352989.2248	324602.6524	341887.3075	216732.7776	345337.6211	311491.0512	223687.5124	395435.7524	477989.9905	328690.6359	299322.2445	480096.7661	292618.9047	395498.402	351728.8914	311042.0723	352937.7236	246833.5886	269494.1244	249512.774	245457.9663	460597.0248	416246.5097	248193.2175	323840.9956	287074.632	440701.104	367063.858	477243.8914	230028.7776	287043.7737	344107.176	297168.804	292825.7175	302451.9457	341563.632	296866.6995	361846.6236	430610.4945	378839.5109	372074.8059	303876.6611	232324.9236	233315.7175	447184.8075	326245.0594	178592.7333	230522.426	233129.1248	229731.2136	217972.926	251260.5354	276435.8124	282041.426	305860.4136	411193.0512	179003.426	300473.0124	377389.0012	247657.9248	245053.426	272381.9587	285158.6136	272470.4136	226525.1248	210046.926	258884.7248	241271.61	307810.3776	243481.812	206744.426	240393.5248	200139.426	250599.1519	188405.2333	249970.0651	262847.1248	238276.2984	270449.3491	231843.426	182966.426	162973.5713	235806.426	181957.545	272429.6124	219260.7248	184287.426	213004.3124	215991.426	304721.5364	144934.3776	295754.8112	241715.4124	306480.7776	186268.926	356288.4364	208725.926	295175.6136	223687.5124	240393.5248	337641.2347	181645.426	222562.7248	205690.4136	209983.3236	178531.9344	192466.2962	339445.133	195345.555	238240.0972	192211.9364	219987.7272	237751.9248	153541.3088	243035.1248	251815.2364	207404.926	181164.5088	320552.0136	302476.1124	213317.1248	222562.7248	482755.1124	273240.7776	242475.6376	214837.812	196779.7972	304707.2184	198784.2984	255582.7248	232673.4629	224454.0984	323227.2524	262502.4394	249758.1	296572.426	232524.0488	385510.2986	460053.3124	213853.0248	258305.133	347907.4421	267792.8389	302471.1248	273482.8248	255052.7954	254907.4407	323174.8124	383083.358	297562.1725	240214.3972	267156.9025	238902.972	374971.008	441707.008	191433.4078	333583.9568	315103.069	232773.3754	228685.9655	246538.803	265842.6375	361695.9394	261799.9383	337225.0248	242333.1	263081.8124	309058.4225	331854.9124	305006.5696	549699.0248	378911.4945	297354.8364	202570.664	247425.1812	256224.4395	309879.0012	229201.426	412277.1568	374795.5559	317348.4248	267804.8914	351021.2445	436331.0811	303676.4861	290301.1012	266526.5883	262558.608	277933.5364	326188.5935	361899.008	251574.4675	270701.7236	320992.1073	276481.608	396912.726	239912.064	322431.708	253845.7012	315818.2175	280133.1	234415.0248	307067.4248	243755.0136	322507.1124	238723.4407	385331.0091	237618.0984	219270.7057	263872.7368	271802.6136
C468	Methylmalonic acid*	118.0266	C4H6O4	Organic acids	Organic acids	516-05-2	1	6708863.354	17743420.75	12631964.21	8657415.27	26810368.91	10880795.42	17952231.19	8183749.868	22672442.29	19234376.12	5725899.2	20068289.85	26260912.87	11801670.15	21374169.63	12520267.2	18127569.37	12301063.5	16563448.8	13478400.82	26223829.67	23101266.61	16040092.66	16229457.44	9080240.948	21896404.25	25890214.34	13108707.27	15112628.99	12285488.07	32807920.25	25413135.93	22498489.88	9627837.713	21172050.66	16763407.95	16624722.86	20438762.48	10826051.3	15260656.6	24524185.75	15934764.17	24927110.69	27662706.18	14035831.48	12356894.81	2379360.062	19786349.73	12251435.63	9606075.267	2354924.845	3573750.096	NA	18821054.43	5097358.495	8893878.745	13898859.68	4120319.997	NA	6874740.975	NA	4770359.178	24145634.78	NA	5618578.204	NA	3515272.803	5017677.922	3845775.908	15776940.07	7787455.119	NA	2996320.641	NA	NA	4683564.612	NA	8255855.699	NA	21489362.36	NA	9694520.713	5400979.604	NA	8325402.195	NA	7160037.654	8882342.741	6522377.62	NA	NA	12779430.42	NA	5255287.152	956797.422	4427053.242	4610342.908	4469175.526	5340125.977	NA	1440703.264	7001924.146	21697200.38	4704113.459	NA	3288446.151	7616220.346	NA	15034210.51	2369923.807	5436688.308	41945521.93	2308342.012	8367785.856	10007164.52	NA	20229511.71	14309359.06	NA	16041433.15	6961400.83	NA	5093147.771	19154675.07	NA	24441049.78	9242637.634	25499632.91	20874186.54	NA	NA	30337127.83	2519985.819	NA	6874151.462	15829450.84	5958134.631	16208037.84	7444396.328	11933798.21	17681806.62	48882510.15	NA	22107842.71	18631758	29856391.68	8246095.746	20080851.75	8641526.673	8252794.853	13241391.34	20223212.25	36289459.3	14155922.83	8198131.839	9766897.503	19254164.86	18064543.2	33970947	5779257.291	31758144.32	22181812.72	25144589.09	23861241.84	11010082.1	14621238.2	39144819.07	17731989.33	12337781.32	21135927.37	16841516.9	14613494.08	18796888.92	13032780.86	24866960.79	28293470.28	8877828.967	25671777.7	17173306.38	24220777.5	29823616.53	5598249.548	28254109.63	30159350.45	16611622.12	24396021.34	26082965.26	26810394.71	4113658.773	32769795	13149138.15	25006242.41	26887427.64	21874192.05	11521505.93	14718588.12	15965728.14	35143803.15	21165820.51	37438384.02	16719490.97	14135992.89	12430992.88	12178028.36	19867016.3	15134405.55	23117021.45	24875695.96	17161303.32	12421710.27	29499660.53	17467524.14	6596804.928	14334010.88	16333391.03
C469	Monomethyl succinate	132.0423	C5H8O4	Organic acids	Organic acids	3878-55-5	3	63604.84679	164921.52	81725.817	98688.108	66016.85494	81524.448	65394.0672	104382.1584	49766.83833	78891.48887	78264.45483	95483.9743	93872.47133	80372.21225	58094.4236	68876.0415	29222.228	77750.88113	74794.0224	81031.37075	78704.50933	99511.86494	34903.842	177822.4907	69441.8053	79524.67133	88540.22257	35357.373	73070.98667	84385.62167	110150.1853	27709.152	116492.5922	43269.73	49360.1375	29151.279	71236.31	36722.258	41701.9312	69225.88487	89576.88753	91166.2101	28172.85	54799.056	68122.06024	94738.80487	61653.79827	70526.96459	65878.42492	67694.16427	82533.85725	39393.40667	92296.15547	59470.39257	60889.81429	48220.4616	103284.6453	29495.85	69999.13108	118488.7428	95389.69365	23604.4116	73425.85971	83293.06587	88342.30167	127281.3384	102567.5927	62880.43353	91829.69062	63937.82875	56389.68571	76421.9106	58712.4694	107119.5941	144877.0064	83724.58182	120669.8544	54807.49967	54032.44786	93181.69733	63664.506	36777.0988	112536.8676	69385.51165	51596.91867	28275.50967	126622.3828	74771.00887	104966.4704	46035.63875	116033.1413	81752.67787	95812.89033	65491.7295	118905.296	85743.25067	90452.4192	94013.80463	69855.67708	94899.361	118150.48	89382.21667	56784.9924	91204.15947	120232.3352	66315.8908	115825.968	75807.65829	107540.6887	139474.8259	91478.395	107865.308	93731.81025	78322.49083	93624.33071	97568.9026	133435.344	138669.3173	147758.9981	120718.6759	65274.7326	174350.4002	72087.29733	131496.344	47085.3575	124338.1933	102428.9413	81825.8265	55663.83817	48092.73933	72942.43667	128870.7738	110545.2015	102404.5675	56306.9232	63200.2245	159320.3995	116158.7648	112628.6243	95618.7575	90085.56207	46974.02625	93754.86633	62183.457	99277.23486	120884.0371	48253.803	99628.9785	121031.1984	85658.41071	102899.0564	53080.85667	116611.5379	76057.23	57421.49	98962.27646	33084.162	30120.967	89491.1238	46547.992	113202.5149	68208.5712	74448.34467	56128.48214	110193.2694	104957.7292	79637.65429	52856.23447	93439.79507	117399.935	55673.585	116149.4636	137157.559	108127.8097	116756.2194	110650.222	81172.3995	172467.554	47270.452	27860.772	64582.0956	72064.0324	53634.4064	58610.66625	54133.119	90275.97886	98044.53943	65667.88267	145887.3186	68520.68571	118414.3131	67874.3	51117.85714	63099.34529	50817.36533	83562.40367	91225.51533	53263.2435	84795.59208	94054.58557	46594.928	82554.116	39543.541	78040.1536	60497.7576	91377.806	100962.862	103076.0052	108276.8239	56839.293	104563.4772	67878.14527	130171.9461	45334.926	85132.7654
C470	Muconic acid	142.0266	C6H6O4	Organic acids	Organic acids	1119-72-8	3	3134254.931	3550129.192	3094094.264	3553530.508	3194097.174	3496228.045	3443641.85	1066557.824	NA	3245644.835	3297447.431	3245664.788	3399648.112	3214360.183	3327871.635	3204807.939	2847588.728	NA	3132748.732	3228816.032	3313414.29	3250670.402	2873936.694	3115682.158	3271061.293	3305791.959	3630224.838	3068256.051	3607468.64	3301676.444	3096329.855	430827.138	3024246.964	3492598.905	3234141.325	1113344.092	3020125.63	3336562.898	3103242.559	2951158.654	3126375.384	3309071.133	3658214.344	3473604.693	3475213.908	3032687.275	3305085.907	1140777.846	3989650.984	4015387.093	2940539.355	3207321.348	3236317.945	3285956.824	3250414.678	3235890.339	862669.85	3281394.024	3796503.901	1100617.203	3072436.055	3187218.658	369872.111	3494560.955	3022129.262	3037148.867	3275327.943	3028225.37	1122352.274	1866622.621	3475375.672	2614949.668	3306324.844	3086808.442	3048552.92	3143009.632	2657683.289	3469912.267	3203716.466	3251237.295	3264139.718	2659936.143	3240400.271	3097462.089	2846240.09	2919202.723	3357993.172	1440200.998	3354747.819	3054584.857	3550342.797	3134397.023	3133132.717	1141130.547	1749637.283	3152041.051	3328363.038	3306030.367	3474822.037	3252818.32	3026093.814	1831423.768	3116335.192	3193263.026	3046687.701	3142280.131	3576144.709	2992174.819	3491568.552	3504842.445	3328518.751	3313722.901	3105283.654	1005196.799	3168530.68	3165751.058	3253212.702	3137750.577	2922731.824	793915.696	3755155.438	3319185.688	2929509.766	1136487.47	3104198.062	3123679.322	781056.2295	3202116.899	3293430.622	3332043.013	3366929.379	3820603.976	3272490.206	3035494.796	3051656.3	3105495.347	3029687.371	3394359.542	3073740.434	3007207.517	2692602.822	3353108.604	3320548.283	2976052.232	3242763.071	3399864.653	998470.3302	1200562.255	3338943.65	3056716.634	3215781.878	2907711.18	3253002.957	3683846.81	3519406.702	2971529.921	3169651.051	3197852.791	2973682.007	2943146.565	3329265.807	3261097.676	3363436.613	3196021.566	3191575.92	2769456.625	3320489.886	3061835.852	3227246.402	956838.2425	3249677.448	3218661.667	828726.324	2839535.265	2942430.572	3057291.599	3282816.758	2935983.774	2961619.019	3051178.324	2900119.132	1108291.685	3102672.84	3302605.142	3269258.505	2849104.71	3243051.313	NA	3286678.191	3190015.498	3337747.589	3407260.658	1620173.425	3477667.098	3196623.322	3357526.314	3157227.283	3133527.094	3042974.167	3018722.681	3485825.388	3725586.365	3011756.737	3102283.335	2996012.514	2986617.835	3145352.343	3218006.283	3308366.403	1035249.05	3262287.957	3030455.626	3416951.392	3172563.504	3444768.669
C471	N-Methyl-4-aminobutyric acid	117.0705	C5H11NO2	Organic acids	Organic acids	1119-48-8	3	43191.01875	39755.4192	20207.4192	41871.9	24588.51875	46869.852	17310.03375	19630.23333	42936.6575	17944.76875	16779.026	17337.852	11298.8925	83738.56667	25517.73333	30768.40875	37810.6575	38601.06667	30166.1005	37946.9	22906.90133	68692.73333	20289.568	57348.6192	61267.6204	59534.4	59964.2204	10260.40875	22813.8192	27375.0192	17667.73333	14343.0192	23255.3925	10917.852	32691.03375	30762.4075	32697.41	60615.9204	22437.03375	15646.2192	30633.0192	56467.8925	35194.2192	35194.2192	46271.4192	8645.634	40381.53375	13742.73333	24399.852	34567.6375	45796.9	23714.1575	13691.4192	54742.2192	18321.9	31936.2192	26178.568	14343.0192	21513.9204	30473.124	74580.23333	20538.41625	18621.852	18687.1155	50196.4216	25424.1204	19555.8192	27907.7995	17667.73333	56045.4192	26723.4192	23465.4192	18609.14375	27379.2204	20334.5684	17950.90875	38533.1425	11086.7204	59303.4192	19555.8192	33331.90875	31461.852	41058.6192	39909.4	21935.05183	10634.6425	13777.5684	10636.64375	16669.15875	23465.4192	46245.8535	31229.0495	25000.53375	81776.06667	27911.30067	32059.4	38601.06667	37800.6192	52547.9075	12180.6575	25041.852	28134.4	35888.4075	44867.65875	25517.73333	34613.65875	47581.9204	25250.7995	15051.06667	35254.53375	32050.15875	25041.852	22465.1005	14158.671	16359.4	50635.53375	18591.78375	18621.852	52143.8204	21831.852	45839.8925	30637.7204	37149.0192	34542.6192	87148.4075	21510.6192	28781.232	39909.4	45626.8204	8641.8925	28026.6192	37800.6192	53439.0192	20603.634	21151.1575	29233.6425	17277.1425	26315.6005	17277.1425	22246.9	33885.818	23555.23333	23469.0204	43642.8505	30032.0324	106234.9204	23919.6425	18252.6192	25420.2192	37946.9	15384.4075	37149.0192	15387.40875	65819.4192	58326.03375	37177.15875	28030.9204	27558.6575	14343.0192	13032.982	17950.90875	11517.124	33367.73333	63122.26875	36638.56667	11085.0192	46923.0192	16359.4	52787.4192	89928.6192	31941.1204	11085.0192	10260.40875	12823.90875	46930.2204	38458.1204	25420.2192	44975.1204	24359.65875	73926.06667	35254.53375	26846.57067	24768.6192	45619.8192	24768.6192	21791.9075	10471.9	40528.5495	54480.78375	25420.2192	24117.0192	26165.232	6546.9	24857.232	66722.415	20938.56667	30089.232	34606.9075	27905.1425	15288.96733	20938.56667	11301.5495	45619.8192	64113.56667	23465.4192	NA	23106.8505	35194.2192	63453.03375	54955.23333	22246.9	33367.73333	26282.28375	27609.852	19873.53375
C472	Phosphoenolpyruvate	167.9824	C3H5O6P	Organic acids	Organic acids	138-08-9	3	424058.995	291511.7288	347840.2575	742835.3295	986634.7111	288759.1525	431187.0979	969527.3342	312508.75	317403.995	465407.1382	304586.2575	486213.149	363817.4378	150128.292	660555.6568	854819.806	614387.3373	402213.995	239000.058	665113.9012	350315.3882	293758.75	247593.537	575674.952	810089.2892	690021.806	433470.42	403130.739	443419.2156	564308.4988	370489.806	239763.552	542092.885	826323.1512	535780.18	694758.4876	363021.495	526587.75	1208630.457	579773.6568	317870.7765	583130.0927	335393.995	358904.6933	521449.806	1037226.433	287478.6525	225008.5985	268608.8295	242203.995	986946.88	319683.552	733752.9788	405523.552	330929.995	329440.9775	304291.552	394829.7275	564686.8178	1436833.684	492307.728	301878.6225	512398.9507	265537.5075	395900.2575	343833.2287	609229.9035	489202.0535	1362073.266	353247.0075	537341.1225	234925.4025	416591.1225	865280.8035	529843.552	422099.552	1111614.977	741187.552	883709.2575	1176785.903	754832.7855	672515.552	1240480.952	1174472.257	910445.8845	876163.552	660876.6038	272970.905	475396.952	373989.5505	626339.79	535989.8035	439622.1535	933037.5112	1108156.14	865628.7275	1484327.047	1139011.152	618474.3845	806899.552	913580.4775	656030.8845	706851.552	668524.952	710425.6173	1434656.18	659665.3845	792230.3812	423400.952	1060139.479	497668.7556	675414.8845	605752.5355	914303.1324	1178066.403	470051.552	459687.9787	641006.2575	836129.9035	647506.2568	333771.8845	513981.23	1118518.974	799752.952	481502.8035	840264.6038	783415.426	677071.3538	863723.624	675873.2855	362625.0888	445839.94	648579.6525	899167.6815	752901.435	837683.552	342886.6312	391233.6225	709219.552	1121722.728	604301.995	816595.3537	744944.0868	849523.552	450398.5356	678939.9788	575063.1538	411781.4868	1237508.75	1062849.789	687505.806	665149.2156	787495.488	309564.9315	520128.133	785484.18	587804.4315	325163.5892	1302437.854	671496.371	712571.3882	638882.2389	1013423.854	870692.0656	1144098.466	1085633.75	526454.77	367444.935	632220.18	931827.2287	742605.435	501255.3882	829659.0825	356540.4315	474229.1033	659059.6345	315740.4775	1119510.754	942110.5277	683416.6644	1181907.902	353176.3537	378616.6382	232611.995	754563.537	764243.806	357909.806	802205.4315	596646.8656	375765.6468	429718.6097	660359.349	898881.1578	1155859.156	1312082.18	890862.995	553943.99	413394.7111	287906.99	799830.5513	378394.1525	604282.7155	440821.1628	486891.6787	357154.3587	731218.2868	504534.9788	651652.806	455288.1987	510808.0444	461590.3587	345078.9788	356913.6037	406039.2275
C473	Phytic acid	659.8614	C6H18O24P6	Organic acids	Organic acids	83-86-3	3	48457.32564	51716.76308	52712.39077	52842.42923	54382.08462	53876.40635	59854.80205	56208.84	56082.91288	56978.48205	56603.23744	57151.02615	58269.6114	55355.02769	53487.42	55535.05128	56231.23231	60250.89487	55949.57128	59966.11692	63246.39935	51777.48103	57713.49744	56268.43282	56368.7159	61202.25983	57963.59835	60281.07835	64584.48615	52914.43226	56225.91795	58500.13231	59501.72385	54137.88205	54814.61436	60679.89128	54634.60842	57762.02667	58058.40435	57177.39077	56329.72085	54399.37785	58649.95385	56272.81583	58835.99231	56600.4556	54307.28462	54131.96923	57388.81995	59744.02359	33922.57641	35373.94872	43234.7394	44259.92932	51959.81538	51848.66154	55689.16769	52221.69285	52132.04923	54588.95077	42983.24513	46998.50933	48665.59385	46856.70308	50013.92	47420.17179	52366.37538	56263.11846	53287.24923	51655.56923	42891.12193	42477.41385	39476.49637	44872.2087	38246.63955	40778.88	42736.8841	40593.59231	45938.97803	44539.19482	38709.79077	40333.24165	40371.76615	38519.44432	42532.33885	45082.22133	43746.70974	47162.92682	48534.14359	44781.12	41462.62872	49037.32205	42966.05538	39018.02359	44085.05335	46091.43538	48735.24923	55035.44	50022.49985	49921.77692	44036.0052	44688.44462	49076.96082	48223.60005	47791.04485	49732.89382	53066.32382	48969.43083	52165.46667	49726.97231	42827.44132	50990.35985	41976.0297	42561.21692	43895.32	47647.10769	45257.08103	47652.4971	46389.03949	45140.2	48088.4391	43480.02432	44910.66667	46171.48387	45569.71077	47116.9269	48586.85333	48539.85231	50540.05333	47445.82075	50573.62695	51759.27085	50951.4409	50091.99805	54903.47135	52319.59795	52449.33683	52868.63668	50830.3488	53642.24205	56415.35543	58928.45538	51759.27085	62901.7	57593.31585	54715.74943	60824.89285	59173.02564	57297.62933	55807.96388	58015.68103	56067.53231	58814.01077	59846.6529	57462.97641	56764.80872	58566.55285	56942.5329	58635.80103	59432.6851	54840.56883	56475.04615	58813.80233	54214.43077	55726.90743	53988.92821	51352.33128	52556.34462	49853.49744	53999.78462	55292.4288	50330.91692	50507.10983	51005.64923	50348.23692	46327.43137	51129.45795	46706.72923	52527.30615	47366.26185	48949.96923	47353.26615	50083.95231	49491.54615	48928.70974	50468.10637	49453.21333	49386.33795	47323.24585	41897.13436	44427.01333	40849.72587	40860.73436	44606.70769	44919.2433	44797.51949	41935.13568	44602.48385	44943.53385	43109.04582	44784.10308	39549.45949	47912.96154	42879.80308	43197.24359	42189.45231	44218.11307	42841.39487	48179.24923	45099.10821	45594.33846	48721.26585	45172.44585	47914.71585	44294.1291
C474	Pimelic acid*	160.0736	C7H12O4	Organic acids	Organic acids	111-16-0	1	228534.129	978276.7151	384426.129	1266701.485	430998.7337	375840.0263	632054.5491	746878.0276	690064.0276	419568.7406	793863.7646	760574.629	NA	321276.6301	407551.192	817853.129	472175.0503	359067.3051	462372.129	419028.456	639985.0977	776090.9074	508313.1931	538527.0503	405977.3834	NA	430653.1206	255290.5977	680840.274	318323.8176	622005.5901	590731.98	717496.598	613765.3269	458570.0263	407159.2406	556847.4015	423705.2406	348918.592	501768.456	774716.812	383787.1377	454994.6217	402141.129	250899.9313	920643.4789	306924.48	573801.0977	495271.4584	476297.8834	250953.0555	537179.8992	667678.0251	313958.7634	398295.312	534380.0503	671904.48	713000.7495	1031895.621	822582.0263	493375.168	647611.98	939913.5909	604456.3109	295509.456	663622.2406	984507.0491	584736.4789	720942.312	751670.5977	921858.0263	NA	1014553.248	346872.7011	1627463.378	767034.7406	418386.8834	502388.9074	524817.456	811169.4332	295473.7406	966276.7357	625802.812	519963.7394	748125.0263	205582.1931	793722.456	628195.8125	445515.7646	625136.3109	477479.7406	657642.1137	348108.456	695259.4584	237519.4076	440130.8349	590589.5491	589165.2406	468615.812	839971.9063	660076.6691	675707.3064	366130.336	610955.7394	647076.2406	815490.8834	498753.1691	411697.692	605038.3043	405928.3109	419499.48	770580.312	527054.0251	1252753.764	466786.9063	555482.312	584437.812	398286.1062	431978.2406	711601.98	607557.456	603101.7646	361983.336	498215.5088	348657.312	669531.5263	493393.0076	409690.9332	599801.9549	832555.1535	553337.7646	1254788.596	249731.471	607557.456	369092.4789	793183.5555	1335937.454	746469.4789	554039.1535	678986.3834	597438.2406	661778.7337	606656.336	349701.8004	268097.629	455587.0503	974332.8823	577937.5977	NA	490006.98	565870.1623	566697.3562	530813.9404	695863.2326	1163534.973	648718.7646	650989.0194	482549.5909	472175.0503	410753.274	433126.98	946003.8349	733939.9777	332609.2776	1105487.592	408721.9023	257715.9074	329156.6691	576343.8514	350305.1856	347847.4701	588017.6846	676530.2647	1107154.162	495549.4903	729881.4789	578219.7646	636277.7646	371003.0004	930538.5606	808638.7337	489535.129	450847.6217	526668.1515	597485.2849	NA	372876.6895	863465.0901	885424.4105	591645.5909	742322.4789	708449.7326	523600.3076	457956.7646	545721.6377	648975.7491	1080908.569	NA	674193.1931	921697.182	553697.1895	621807.129	496935.8766	400412.0051	351916.092	781422.7646	NA	1048481.621	278754.3401	385607.129	425965.6217	242807.092	738966.6097	582888.9063	484023.6217
C475	Quinic Acid	192.0634	C7H12O6	Organic acids	Organic acids	77-95-2	1	1643843.693	1460454.986	1401071.82	1528314.007	1692994.866	1354697.257	1769062.345	1634200.518	1537655.738	1687507.852	1373137.421	1452163.662	1461165.425	1837009.002	1219536.796	1376466.96	1515145.546	1444442.636	1471428.952	1504725.328	1429487.634	1400945.149	1513619.19	1463690.621	1410170.382	1431546.941	1462809.149	1415816.152	1365277.435	1414171.507	1336334.19	1332563.671	1475089.495	1408254.99	1543780.497	1263383.257	1399820.349	1524108.757	1365916.636	1622631.757	1522618.662	1428014.995	1616633.832	1509690.757	1511420.142	1609555.739	1488067.049	1574738.766	1462591.491	1590191.257	1467767.045	1516614.352	1255929.352	1398316.574	1324286.752	1400531.104	1307639.796	1509978.307	1471049.904	1427492.559	1335872.752	1454935.549	1225802.739	1255171.309	1266017.56	1578292.553	1422985.171	1340768.349	1528060.161	1259345.56	1551072.417	1272286.614	1464022.481	1288928.989	1240441.56	1413163.553	1248781.56	1532424.49	1513717.852	1269068.184	1489966.552	1340754.384	1188466.309	1303032.757	1317985.184	1284352.111	1306867.684	1462715.047	1440408.37	1460422.252	1390906.252	1422869.821	1538941.35	1232743.624	1278899.635	1435452.888	1361301.479	1408988.051	1256009.56	1366507.831	1408548.662	1467308.349	1347633.921	1351414.395	1497675.758	1447677.652	1415616.845	1266486.421	878623.345	1367629.131	1301263.921	1347040.328	1339420.111	1165010.045	1186253.373	1224858.553	1282936.153	1298819.25	1300029.007	1287419.381	1249056.684	1289671.421	1231319.25	1509740.822	933875.5587	1519596.327	1341258.046	1495455.852	1421631.69	1380739.78	1524068.962	1271795.435	1261017.371	1405761.007	1347440.545	1493360.495	1417554.052	1288669.574	1339897.784	1458684.352	1587944.25	1355509.046	1519172.781	1342327.84	1356070.404	1352624.666	1300987.236	1383538.486	1327898.495	1521139.491	1556171.942	1468995.549	941888.574	1386049.995	1302119.995	1711954.739	1431841.852	1350492.649	1478541.51	1298119.111	1444478.465	1297206.546	1388572.349	1185373.238	1470767.383	1627273.784	1438914.19	1405960.611	1481370.495	1416063.74	1389666.547	1505949.995	1500155.285	1367587.452	1360748.545	1254721.149	1390472.736	1103419.735	1431118.387	1556632.496	1487648.128	1542732.007	1284352.111	1380954.295	1439973.94	1603287.84	1450131.75	1619723.25	1422375.745	1327378.614	1471606.735	1618370.141	1512654.861	1760886.45	1627049.925	1420822.059	1417307.545	1303635.045	1690534.25	1631673.341	1728783.584	1813655.839	1623163.804	1532237.259	1722592.417	1428407.94	1644692.14	1460396.048	1526158.421	1212320.954	1492760.995	1482569.495	1383570.671	1556878.546	1400959.421
C476	Quinic acid O-di-glucuronic acid	544.1276	C19H28O18	Organic acids	Organic acids	-	3	7773.075143	16247.967	12527.417	32498.96875	20945.333	8158.5404	12694.458	17165.76286	11075.491	17714.505	17604.792	12527.417	10118.72867	8942.8955	NA	NA	19010.35175	16881.87343	8677.398143	8340.841714	8655.670857	14814.94857	26521.7485	NA	13084.9506	16930.60943	13529.977	NA	7887.077143	13434.631	16347.729	8085.942	16516.857	21961.1	22684.10588	14487.32086	17525.9295	17247.315	9831.3132	11757.005	21190.2765	11548.0625	16194.17875	20921.08345	10382.866	21773.26183	NA	17208.31658	13214.97357	23659.848	35714.4645	13470.3525	NA	17415.88286	6527.9592	13836.315	8881.74	23165.83425	6300.2268	16801.41171	19430.51143	15858.416	15511.80713	11675.90687	21316.53457	NA	12525.975	7040.0484	NA	22399.97314	15790.894	16334.647	12290.037	NA	20776.49229	8770.4695	18859.477	18513.495	16490.99617	8519.7672	15948.49714	13479.77457	15033.477	19886.92	14850.13714	14024.0928	7709.117	9327.454875	14593.18275	7183.93	13977.425	14632.0272	14454.12057	10450.0786	11435.54325	21819.0955	15903.00525	7451.832	22684.10588	17294.61687	14191.346	17480.2874	11204.75943	13777.953	16702.09775	20455.6428	11565.58743	10830.05182	7772.120571	27617.0355	7396.011	11979.6876	13615.882	12560.055	7840.3325	11024.34543	14243.8345	15897.20333	15805.41088	9606.6432	12347.784	23058.22	10614.103	5688.999	18033.40636	9079.812	13520.3376	11600.3664	14447.0718	6840.971667	12387.504	13891.227	NA	7411.292571	7872.194	10105.98438	9141.675833	NA	8373.44875	14906.82625	16654.29071	9416.46825	13572.60575	8014.193714	7405.416	14303.06643	14081.83886	13829.85312	9133.905	26137.54338	10681.3125	7529.218667	NA	7122.9555	NA	20845.845	16193.2175	15332.59813	9103.829333	12452.98425	13757.12633	14239.775	15447.86588	22076.12633	16876.23357	8755.2696	11496.186	9803.538	9129.519	16567.518	12645.82057	14441.8255	7939.33875	16115.30264	15656.14871	14667.07714	14365.106	19587.15714	13383.72	29052.75937	18556.93125	17415.88286	13425.91425	16262.41786	9691.0125	13892.01938	8663.8986	12595.59975	10145.75029	12429.9162	12963.46875	8851.818333	NA	13286.328	12726.03714	11244.83	10405.22175	9385.6995	9748.031	20583.62743	13094.28225	8966.024	15840.52875	9048.293833	NA	20023.25	23218.34829	16138.95829	16265.77371	8820.6888	19301.73438	13807.44458	12333.21486	15606.69525	NA
C477	Shikimic acid	174.0528	C7H10O5	Organic acids	Organic acids	138-59-0	3	60499.102	54547.94625	10882.56	NA	17425.6215	NA	44025.57	48139.602	10234.558	10402.6	NA	NA	27323.602	NA	36543.915	35563.08375	22263.79625	NA	11711.602	45307.0485	76758.87	NA	NA	96791.3715	NA	NA	37399.2124	39909.4	24798.915	NA	50595.57	17922.56	9163.566667	26599.9776	34188.87	46443.87	13751.045	NA	NA	43880.8715	NA	19353.87	NA	NA	NA	NA	28725.30375	NA	39138.9135	NA	21163.9675	27757.57875	11061.102	28055.6136	80467.73333	NA	12062.7985	NA	38662.332	22752.6	NA	22188.915	10824.73875	19361.3715	NA	NA	19886.464	25451.415	29028.87	NA	16252.6	37733.058	NA	NA	NA	NA	8322.56	39434.07125	NA	16780.3715	19367.70375	21452.6	13215.9248	35492.6215	58721.6215	11513.558	27762.955	NA	27495.545	NA	NA	18637.3088	NA	90172.058	NA	33268.6635	45539.79733	26002.6	NA	17088.57	NA	30082.56	24789.4135	40322.56	28394.8715	9109.602	32253.87	56958.92125	104493.87	19413.882	24882.29625	61149.602	NA	16915.602	39791.1635	NA	38352.6	9791.415	17418.87	13149.07125	38703.87	NA	58268.17125	24227.67125	NA	57408.87	30842.9088	43235.6215	70473.915	7556.518	8452.6	16001.332	20006.6215	19353.87	78079.1215	12434.4	40984.102	22180.4135	61394.558	NA	17305.662	64528.8715	37313.045	29275.102	85868.602	19361.3715	NA	58053.87	114402.6	NA	26673.102	45026.415	49574.9135	7743.87	NA	NA	19350.15867	29028.87	20168.102	36141.57	80882.9135	48270.4135	76802.56	156603.915	NA	NA	76969.4135	30659.6635	NA	43842.49067	54813.915	NA	NA	67401.568	21933.87	28810.04625	17171.40783	36760.65867	59435.876	9163.566667	NA	37123.74444	55445.1635	18926.415	27323.602	26002.6	96573.915	NA	149701.8715	61967.6635	20231.415	39394.6245	33281.415	63948.915	19630.23333	NA	NA	22770.102	NA	21762.56	57380.49067	NA	45239.8012	9682.6215	41263.824	NA	15489.8715	24146.415	24146.415	23223.87	26448.87	22119.602	NA	NA	17621.415
C478	Suberic Acid	174.0892	C8H14O4	Organic acids	Organic acids	505-48-6	1	186368.6744	275184.8175	138529.378	151513.6837	72081.33887	312918.56	198788.3248	363577.984	320561.5688	303676.6838	266335.8912	254613.4744	220911.366	268333.2613	189843.4437	331388.8744	95253.44375	126707.8778	93401.2924	152246.2744	118798.1756	225358.884	394567.8912	425427.366	98437.8744	161916.366	285846.3852	126614.56	170437.866	188337.2744	333699.0687	199735.884	229677.8744	156373.884	79189.37663	146974.2732	269536.272	166631.1514	287334.56	111526.56	218454.56	331499.8013	132670.0675	225775.0756	273403.0864	199249.4648	82689.0744	834438.56	396775.4828	273611.0924	207459.252	122042.4732	280774.56	244317.5675	103266.7924	283675.6762	277155.0675	238059.0912	394772.8625	234271.2744	90534.56	450052.884	265281.55	220253.244	218454.56	177782.56	258208.884	145956.3248	129869.8088	152617.4936	183686.56	150886.56	519062.0744	302181.8828	126579.6903	107795.6525	84865.76267	104262.2516	110549.264	76102.56	130525.6838	213045.366	101884.23	67087.26133	77604.6912	99199.7828	153510.56	263796.4293	110870.8777	124304.2613	86367.61886	44236.602	152169.5588	172798.884	66131.6125	78945.26267	68018.616	117408.1837	129604.6514	116650.908	118393.8924	114702.8648	99743.426	126614.56	105897.5924	89341.56875	165974.56	144195.8648	123373.4744	122362.2627	117089.469	98677.8936	122735.9756	109931.6995	114082.2672	129279.2744	125342.0744	117894.5416	163845.948	178932.0648	127270.56	189150.5675	101146.0675	98323.93912	106555.2924	189649.6744	234676.866	131862.56	213734.7013	91219.6744	121528.4437	244974.3175	106312.2744	136890.6525	122818.8175	112753.866	127633.1525	219445.884	110015.8251	440838.56	114860.3756	118653.366	211561.884	85384.0675	69724.0924	213532.884	140434.6744	137538.9014	156397.6852	150460.884	139960.848	134373.6811	201897.4512	289738.866	264324.1838	113975.6075	119585.0162	257519.8025	254853.2777	109405.862	164636.853	159568.9796	200560.2648	141412.3935	130313.0576	55337.604	81945.366	151724.425	300501.6732	133587.0576	178315.9248	243660.8175	196785.0106	174236.55	153058.4437	228121.866	88059.2852	381508.866	85286.56	123897.366	107378.6564	NA	180817.6277	281860.884	309971.595	122320.0253	80831.1852	349336.0648	87998.58667	281614.8588	104232.366	130472.2672	175026.366	88170.09	98528.83888	123636.6912	190537.884	105210.2842	101757.7674	116031.366	175172.853	166630.56	142720.3924	179150.4744	162858.5867	198864.0703	147332.6924	197343.4672	167302.6052	236643.366	188420.752	163600.884	281903.7852	189880.884	316681.884
C479	Succinic acid*	118.0266	C4H6O4	Organic acids	Organic acids	110-15-6	1	6708863.354	17743420.75	12631964.21	8657415.27	26810368.91	10880795.42	17952231.19	8183749.868	22672442.29	19234376.12	5725899.2	20068289.85	26260912.87	11801670.15	21374169.63	12520267.2	18127569.37	12301063.5	16563448.8	13478400.82	26223829.67	23101266.61	16040092.66	16229457.44	9080240.948	21896404.25	25890214.34	13108707.27	15112628.99	12285488.07	32807920.25	25413135.93	22498489.88	9627837.713	21172050.66	16763407.95	16624722.86	20438762.48	10826051.3	15260656.6	24524185.75	15934764.17	24927110.69	27662706.18	14035831.48	12356894.81	2379360.062	19786349.73	12251435.63	9606075.267	2354924.845	3573750.096	NA	18821054.43	5097358.495	8893878.745	13898859.68	4120319.997	NA	6874740.975	NA	4770359.178	24145634.78	NA	5618578.204	NA	3515272.803	5017677.922	3845775.908	15776940.07	7787455.119	NA	2996320.641	NA	NA	4683564.612	NA	8255855.699	NA	21489362.36	NA	9694520.713	5400979.604	NA	8325402.195	NA	7160037.654	8882342.741	6522377.62	NA	NA	12779430.42	NA	5255287.152	956797.422	4427053.242	4610342.908	4469175.526	5340125.977	NA	1440703.264	7001924.146	21697200.38	4704113.459	NA	3288446.151	7616220.346	NA	15034210.51	2369923.807	5436688.308	41945521.93	2308342.012	8367785.856	10007164.52	NA	20229511.71	14309359.06	NA	16041433.15	6961400.83	NA	5093147.771	19154675.07	NA	24441049.78	9242637.634	25499632.91	20874186.54	NA	NA	30337127.83	2519985.819	NA	6874151.462	15829450.84	5958134.631	16208037.84	7444396.328	11933798.21	17681806.62	48882510.15	NA	22107842.71	18631758	29856391.68	8246095.746	20080851.75	8641526.673	8252794.853	13241391.34	20223212.25	36289459.3	14155922.83	8198131.839	9766897.503	19254164.86	18064543.2	33970947	5779257.291	31758144.32	22181812.72	25144589.09	23861241.84	11010082.1	14621238.2	39144819.07	17731989.33	12337781.32	21135927.37	16841516.9	14613494.08	18796888.92	13032780.86	24866960.79	28293470.28	8877828.967	25671777.7	17173306.38	24220777.5	29823616.53	5598249.548	28254109.63	30159350.45	16611622.12	24396021.34	26082965.26	26810394.71	4113658.773	32769795	13149138.15	25006242.41	26887427.64	21874192.05	11521505.93	14718588.12	15965728.14	35143803.15	21165820.51	37438384.02	16719490.97	14135992.89	12430992.88	12178028.36	19867016.3	15134405.55	23117021.45	24875695.96	17161303.32	12421710.27	29499660.53	17467524.14	6596804.928	14334010.88	16333391.03
C480	Tranexamic Acid	157.1103	C8H15NO2	Organic acids	Organic acids	1197-18-8	3	84803.9	110140.8067	150135.03	135538.9	100093.9	52143.06778	112048.4007	83420.56778	74384.84556	104529.2511	97321.67889	107043.9	93846.40111	85029.4832	100798.2832	76463.9	105589.7821	91848.37333	76504.5918	72003.0832	78555.17889	113298.9	96653.54111	62696.49012	84108.9	76085.70667	95960.37333	76029.33667	93170.25709	88995.23667	74745.4832	45944.40188	98748.6843	69232.37333	73379.6343	76802.2832	110349.5918	NA	73368.9321	62373.98333	84560.18212	80191.20556	65832.6832	68330.99013	76771.04	78173.4832	NA	59783.9	62379.04	82162.65637	60338.25111	78555.17889	75768.9	70903.9	64435.04	86365.70667	69097.15	58976.6832	54228.23444	95236.51222	95960.37333	120740.732	64997.2918	94658.71667	65253.53	112453.4832	131669.4854	96618.9	82718.9	88278.9	79243.9	67170.92778	NA	53469.70667	NA	84404.72667	102873.9	65805.70667	64110.80375	91885.4832	63749.70667	87051.04	100796.9567	108287.5944	91066.17889	85498.9	65573.72667	56313.40111	82030.45667	70203.28778	94787.8929	68824.40111	86365.70667	131368.9	112469.8854	91848.37333	91840.92778	75876.528	94589.70667	NA	113093.7067	92456.29	NA	NA	93188.57333	26786.976	56211.04	NA	67423.51	87771.8832	39077.70667	58267.04	67861.70667	98016.37333	61033.4832	76802.2832	78550.10538	96645.70667	92448.9	87736.37333	77950.52575	95923.9	96618.9	73267.67875	NA	75073.9	NA	61868.9	75442.0854	65091.44	60323.04	50115.52575	51435.0832	NA	90363.9	57770.15075	84309.70667	93136.45444	92448.9	104414.2698	59632.87222	86400.6832	53969.294	61298.74237	74876.82222	60352.2843	63064.37333	NA	65805.70667	86658.0918	79932.51	86658.0918	NA	NA	99427.0832	89084.52575	82253.70667	104942.1429	NA	63090.2832	41819.04	67176.37333	70603.04	76777.26333	90477.70667	63959.01222	67856.20556	66351.0918	93846.40111	57003.9	71288.37333	79550.4843	78555.17889	59088.9	72693.9843	72563.628	71598.9	63064.37333	60350.17891	84627.3918	70208.9	NA	65674.1918	NA	50047.09667	77254.65075	69260.6832	79505.92778	78639.33713	68123.9	66733.9	70626.7321	64496.8037	80627.45444	65152.04667	66491.04	NA	83413.9	113227.088	82133.15187	63749.70667	64648.9	44403.23038	79544.6832	59632.87222	61003.42778	66513.4321	63064.37333	60323.04	NA	58957.15222	75431.0832	67704.8918	91396.3918	62641.27575
C481	Trans-Citridic acid	174.0164	C6H6O6	Organic acids	Organic acids	4023-65-8	3	NA	NA	898159.8436	NA	NA	1164501.135	NA	943689.0354	NA	NA	1012739.048	985639.7414	1138740.16	1049094.513	1036569.241	NA	NA	1456791.624	NA	1047526.364	NA	1146561.43	1229254.569	NA	NA	NA	1350805.485	512538.1222	1018270.792	1328587.466	NA	NA	NA	NA	1211110.02	NA	865831.5727	NA	NA	1397060.358	NA	NA	NA	NA	NA	1506658.95	1115417.466	NA	NA	1071647.798	848769.5031	863104.478	882488.7149	746940.6583	NA	745259.7026	796407.1016	757774.3531	462291.0665	764255.3065	814265.0306	NA	654110.892	NA	813639.2185	728735.499	693605.3752	484232.208	731342.2842	731381.6791	813030.816	1039024.856	1145435.975	1161687.656	615799.143	963698.2383	1164228.989	NA	NA	962082.7209	NA	NA	442575.9965	451109.815	456820.9308	NA	740053.8337	688440.9663	NA	NA	651684.8136	NA	585054.7445	633188.8429	720637.0891	785227.5338	NA	424131.4208	NA	703439.4696	NA	NA	NA	NA	NA	532296.9132	NA	864900.84	789063.406	850800.572	761650.6795	452765.0556	957051.0844	540441.0648	1458154.847	801048.1458	852117.4966	933527.6267	797724.4884	870511.4464	NA	755230.637	462881.5664	353230.242	749051.7247	798652.4024	874807.4909	563986.7728	967780.2612	1242320.507	1329926.204	NA	700673.6574	517597.095	1254489.332	1089658.994	962988.9309	842748.2362	NA	NA	1232125.096	1127627.813	1181685.739	1267541.181	1235397.955	670311.465	NA	1906713.065	1517123.018	1233968.878	1000101.917	954562.8455	949459.9301	842098.9057	827272.0659	748252.108	789121.97	867648.999	898804.8928	1019497.633	NA	664782.8117	1208245.361	NA	NA	NA	892497.2206	997491.4892	977250.1664	1283565.045	1283069.239	NA	612624.6976	NA	1017732.204	1060906.963	1195521.097	1122438.097	1563477.431	NA	643900.6775	NA	530406.454	579446.0082	NA	506140.6903	322909.0633	NA	918155.3452	NA	566764.5256	NA	NA	737215.38	NA	NA	NA	NA	NA	945197.8484	NA	NA	868233.1153	NA	766421.8422	NA	NA	667022.04	784791.5934	787110.9414	NA	709687.188	748966.9571	NA	522603.2284
C482	Triethyl citrate	276.1209	C12H20O7	Organic acids	Organic acids	77-93-0	3	63518.92714	75477.50775	16515.70514	24766.97143	50109.515	62295.5925	50397.66857	85532.87925	14536.03114	22323.99273	11209.3275	66236.63829	12979.84629	43082.55562	13805.19029	57766.26575	19205.52943	18001.893	15606.77625	13910.13	9869.794286	50413.35	21915.07686	29779.30636	26076.90886	73095.10162	13880.81618	16342.52571	14625.8235	85205.13171	57662.564	48125.257	35136.02782	47612.10563	12655.476	22958.11414	15838.08436	22703.05714	32046.4355	82127.6775	85295.08286	14120.79686	66244.21886	61789.97543	76842.04543	17570.92529	NA	15846.04467	20609.93491	73943.08982	27013.71245	38696.83936	13952.53688	22008.98236	73043.80286	16789.79273	15296.07771	32770.5635	21000.63429	18885.75386	16723.06629	20657.05714	10182.312	18090.53714	99349.32857	69329.69529	34857.43114	29499.3615	11106.5325	25074.68229	19447.74857	14057.74688	22989.12	11009.7875	18938.25945	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	14970.751	30422.19	34103.38425	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	4439.506	NA	NA	NA	NA	NA	NA	30279.2445	9309.285	NA	NA	46135.02857	NA	NA	NA	NA	NA	NA	NA	NA	NA	25752.67173	NA	71655.59545	40931.35375	NA	NA	17985.20575	NA	NA	NA	32065.85086	NA	NA	NA	NA	NA	31423.19512	20498.55945	7978.892727	29750.66564	NA	NA	57703.23473	58057.39063	NA	40384.512	NA	10284.6135	12112.57445	11337.94475	129766.1363	10740.86775	11955.37058	13774.23727	29308.97925	20492.70382	16041.9035	6507.341667	9441.64125	44025.29091	35609.31618	30478.80564	13944.35382	48793.49264	13944.35382	81420.50564	14831.343	10438.48091	33986.59983	10791.20438	NA	16114.60075	9200.370182	13462.62791	18981.01662	10647.13364	18889.568	9551.3495	44176.98682	13077.91725	18733.71382	14492.38445	7887.98925	NA	12027.99429	47759.50045	24576.54975	8803.505455	NA	9869.794286	NA	27834.37064	23107.85573	38281.07809	14104.078	11647.82275	8787.957143	14182.40436	27218.06218	52430.71762	68267.68709	23211.056	37308.1775	14781.83975	9946.43125	31912.82191
C483	¦Á-Ketoglutaric acid	146.022	C5H6O5	Organic acids	Organic acids	328-50-7	3	301184.102	243012.558	155472.102	105383.602	NA	330456.602	390476.664	173035.602	431122.9973	230752.6	173567.66	243940.102	244590.602	275684.9575	250707.66	352886.9587	157607.66	409749.1088	248493.602	230279.602	282970.102	NA	127017.66	227126.68	253502.6	211415.102	288953.6738	327204.102	275977.66	261503.602	NA	256027.66	237435.102	207615.5125	147552.6	310052.6	NA	275164.102	265395.058	315988.8338	196952.6	351857.232	189691.9238	254348.102	220616.658	153067.662	255649.102	207977.9588	449113.9973	173508.87	126259.4	182484.7087	300533.602	192332.162	442221.9	182142.602	253878.3307	409240.4588	226102.66	184473.87	152102.6	259039.1738	491241.1573	305925.7088	340811.2088	228104.2087	NA	247382.66	255130.2333	191102.6	180052.6	361573.61	NA	NA	NA	NA	227433.3337	NA	152966.2087	135560.2175	138452.6	NA	NA	NA	182793.102	426458.664	205465.9013	138987.66	109403.577	146928.3337	179540.602	150259.1738	NA	184178.558	NA	130516.0785	218617.332	307452.6	240084.4	157959.058	172385.102	87012.0785	184207.66	202796.9	NA	185815.2175	257746.9	171366.8	250252.6	NA	299252.66	162627.602	213801.6282	NA	521077.9973	167085.71	NA	NA	208609.9575	NA	169434.4	NA	NA	116377.66	NA	141811.602	171572.66	174023.6267	168830.558	166912.058	196302.6	535327.66	177589.102	279709.4575	242639.102	159902.6	263455.102	NA	220630.058	NA	NA	NA	185612.6738	279717.602	309640.602	328505.102	169577.66	140510.602	389352.6	365155.9973	293203.8037	245387.66	802936.9973	375702.6	327018.87	111057.66	366082.56	446245.602	384448.102	321922.56	363757.66	184207.66	137761.162	463278.915	241922.56	311682.56	439118.9973	444455.058	286652.6	267522.56	214797.66	179402.6	315877.66	247652.6	258702.6	124357.66	246402.56	NA	NA	NA	NA	193201.102	686328.664	278637.66	444226.68	204752.6	302577.66	366459.4238	279717.602	369829.6635	297856.3307	250830.106	242562.56	430564.332	358655.5537	208684.4	229755.6788	NA	195953.604	145128.87	252802.56	340602.6	364980.8253	274513.602	498306.3588	328252.6	263455.102	154947.66	299252.66	248952.6	607726.0667	497171.9	243575.662	220117.66	116377.66
C484	¦Â-Hydroxyisovaleric acid	118.063	C5H10O3	Organic acids	Organic acids	625-08-1	3	235906.2978	356120.075	206914.6915	226540.8054	222900.614	223222.1662	287063.4782	186250.9729	246230.8627	331293.2842	357613.3647	274517.6469	287342.8625	410042.2072	184859.8976	245008.6531	305657.596	259898.152	290000.4482	198642.156	216150.2329	332850.7417	321451.8331	204083.1173	297891.0835	276193.1296	461636.3546	246998.754	243055.8149	255011.6071	199538.0673	206215.1989	393579.432	312503.0335	245083.0451	507623.5808	256057.2938	261513.0416	306810.6215	238721.5172	221848.4749	213561.3416	444708.7975	321230.715	269635.0764	342072.9044	261361.2494	212787.529	238274.5663	306928.4793	212195.2645	241612.6399	253654.6612	275342.6482	238944.0895	348660.4297	224818.7378	291228.0394	230914.626	236781.3698	259827.8377	266259.8495	260765.244	337758.7727	327558.7276	376487.3716	206194.9145	214725.7595	234764.4545	271757.1845	262520.7545	189803.3705	257727.9664	203569.8987	225800.7227	319142.1977	1007841.572	272342.4833	209922.8285	259179.8236	165742.536	179636.781	176674.2386	167059.2754	234226.8016	259173.4907	259607.688	244249	220311.5373	254857.9385	526604.4605	238392.3159	211685.859	84002.512	231411.5015	196693.9411	255254.72	328139.976	321909.1549	289412.5891	405075.4182	310719.325	380985.8611	271602.4757	225823.1591	282385.776	303948.2961	275174.7187	295855.8409	337148.0116	298450.0713	336571.1066	578418.5079	278470.1219	385244.988	282975.408	328933.3075	356964.8018	311251.2529	328183.1018	376524.1136	264161.4949	308571.062	408445.7555	364659.949	354051.8017	343823.184	348939.1402	272007.3394	330836.6059	376126.6971	406484.2801	380667.8423	341117.0427	389945.7213	420002.8508	348780.7473	406834.0124	361594.8389	415586.9258	456005.1	344297.4013	362653.53	318172.0782	299034.5891	298308.0835	317099.058	358408.1373	414241.516	386026.3906	367101.708	319043.9242	255969.0401	339564.7801	352343.5085	337305.0022	392230.0956	371492.7056	357829.368	408071.4673	326413.2404	323238.7964	330684.1405	378397.8545	352581.3041	424715.9438	336072.5585	301191.72	330863.7748	342768.3668	412404.0667	423164.2148	434986.4995	420015.8378	345599.156	368322.5273	373076.78	349774.5338	319416.1904	326635.5409	478710.9541	383754.7849	350619.1882	423907.7504	219302.5618	347102.3335	386503.02	380482.5915	417113.3011	408251.3831	386002.9262	382016.7982	286174.6607	670856.9171	266257.8506	330522.5905	315951.8729	286439.6853	470464.62	282614.2517	363932.0505	482733.7887	260175.1218	268302.6568	268000.3027	293780.3056	316950.7568	324136.7096	328495.3961	245427.8056	285955.7666	299621.19	288349.8087	259311.6704	309448.4305
C485	¦Ã-Aminobutyric acid	103.0633	C4H9NO2	Organic acids	Organic acids	56-12-2	2	7276228.155	4163059.139	2659116.977	2425546.655	6348906.085	12783447.86	8351624.645	6656020.338	10039025.18	5371979.051	8112300.365	9081064.226	9760441.472	3576177.465	9313759.335	14693949.48	3488995.221	3154508.765	9849492.971	6263285.63	14522509.48	10492532.89	2680603.1	6500598.38	5307433.906	3109409.922	5132534.365	10902020.07	10805947.5	7211097.995	13996369.75	9367273.72	4508177.3	7095403.86	4576135.088	12616206.34	7241431.117	3629351.377	3465778.715	2435494.219	5992374.22	7148892.1	3865576.424	5202438.122	6771424.205	8104352.183	2435118.632	10685588.9	6941370.082	5403540.531	10169071.16	6235828.721	14275344.36	4756659.262	10181716.06	9647689.184	13211674.69	10133335.27	16350743.31	9196646.75	3729313.733	6646421.063	10618207.94	5013351.871	5878199.713	5931461.395	10259356.11	10730853.04	8281328.16	2316990.281	3782518.09	13821762.92	10851780.65	10915163.71	10526768.38	7223330.684	1912726.655	7946186.337	8528456.406	5508425.447	3022817.73	9013678.427	14074502.3	2299931.655	6613014.152	6494794.075	4154723.654	7864412.145	2939093.214	10784875.25	4602262.951	7911373.855	5407295.814	2111766.126	4722523.078	4869268.704	2228391.97	2746802.12	10266432.37	6588207.605	13135836.4	2787279.561	6159760.94	5246359.685	4915078.378	3119736.56	2042423.781	6766483.332	10940350.37	9207342.799	6578483.828	5992907.76	7774797.266	7064144.046	7729501.465	7917634.012	2464655.83	10479787.57	3479326.115	9677019.88	8248065.729	12605048.84	10942136.16	4108746.504	11052832.02	5990971.523	6924916.67	2478655.554	12715877.87	9116891.269	9549813.998	8061719.47	3168308.462	10761548.49	3358237.108	4841040.225	7355202.668	10862133.66	13365493.05	5035239.72	10683451.38	9426994.709	12273195.75	6275826.41	13111042.83	4065231.599	8114838.81	6717769.765	10450933.48	3748668.875	3721224.382	5426246.083	15321752.18	8162375.324	18885623.58	12769270.05	5852759.239	5111291.11	4415705.245	8384698.826	6863880.73	5124227.274	5900148.205	8032267.067	11222524.92	3686219.743	7601190.275	12163337.8	4698848.193	2261947.469	5669869.08	6631494.275	7405307.169	8566012.44	6620075.797	9546311.98	8575869.637	12188828.04	4579245.046	2358434.281	2938411.98	2149893.91	5803696.018	4418144.096	11889503.93	4265781.705	5690950.02	9245468.61	8000405.303	9633687.588	9489055.799	15362192.95	13415896.82	3167125.873	2755163.291	12457465.46	5250511.765	14678026.2	1806711.031	2670411.762	4993186.071	9684608.017	7985862.255	4076679.211	5467380.65	4559478.735	2500656.655	6983828.165	3798157.72	11362458.28	2898625.934	7871062.612	12177734	4781696.85	8762154.064
C486	Eucommiol	188.1049	C9H16O4	Others	Alcohol compounds	55930-44-4	1	1349312.687	1417877.316	652361.4506	170069.8749	134889.9649	1475479.033	1095204.451	1292502.757	1624617.009	2013663.827	1461185.695	1471214.17	1016762.901	702023.5152	829571.3576	2418307.279	348110.8591	727987.9024	508386.5584	821532.744	295361.5199	1419915.795	2417244.532	1424611.494	306785.276	440060.1197	2345644.462	694125.6814	637463.8141	1027426.542	2459667.622	1009735.41	1451043.909	732316.0881	128058.6707	490928.5873	1305075.443	897878.9543	1420887.164	296889.4842	921954.5319	2518166.159	528332.5564	1666280.6	1045361.196	549051.8813	279595.3206	6632343.353	2373192.917	1261438.227	1593266.827	394382.508	1865270.146	2366200.021	637467.713	1718128.858	1703219.946	849856.9833	3779916.656	622256.2617	399934.7877	2412459.576	1360198.658	1089002.013	947827.114	866268.4659	1208395.944	387611.616	403038.7821	414707.8613	689884.2626	645232.55	2940350.293	859613.7914	280834.8416	208295.7549	170671.6817	254442.4408	143560.24	170396.0563	461731.6676	283218.3802	119756.9836	231808.3751	193812.8773	305389.5295	233312.1949	170037.7694	255347.493	588149.1849	248628.8876	131873.5043	155103.26	303280.8417	203310.016	118031.308	131838.1527	175082.3564	224513.3127	238245.82	369939.9824	138505.539	260283.816	226621.6264	109587.4946	350116.9094	967805.2958	183609.0317	200168.5761	378142.9841	256548.1079	194695.1771	240664.2906	369098.73	577014.672	311234.4463	179018.8916	175416.86	680960.0331	663041.184	180905.1844	287507.8886	225541.6033	96410.33918	188758.6331	527792.8775	1955886.036	125749.5771	358209.9647	148868.2217	339029.4629	927871.2603	270564.1375	161226.8614	206328.5832	140437.1688	234986.9721	1235618.955	232695.3	406495.7477	341804.6934	298007.181	532352.3957	169208.19	217444.848	735644.6562	390938.52	190567.077	359369.4021	414236.2234	239889.4685	341169.1512	834248.4678	2176041.056	1206475.072	351791.7136	190684.354	1014213.795	1048835.012	188394.0762	627774.537	348092.9891	311253.5856	310353.9822	342802.0694	230493.4905	200975.5364	559548.9491	1651836.478	196311.2853	814827.0073	1350070.919	782697.1193	141342.8784	400558.0091	1231570.505	189942.9124	2466893.855	250315.272	713999.4144	267796.2543	194494.614	1061576.4	1332761.109	2059691.286	231638.9574	154363.7476	2232438.951	211161.4103	1511554.78	286972.14	197968.6091	840132.3571	196616.2347	200501.2451	715634.22	749831.3031	339739.7162	183614.244	247042.5432	489488.076	948729.173	398528.7477	787407.621	608474.4435	985314.0105	747893.0764	746370.8273	699331.518	1178691.592	2049946.023	1006856.49	959312.8486	870833.9674	1735171.336
C487	4-Guanidinobutanal	129.0902	C5H11N3O	Others	Aldehyde compounds	-	2	43433137.02	34262284.41	28292324.06	24360876.76	22087094.46	31937446.68	25962686.92	40893329.27	24766317.67	30067301.98	44480824.75	27950157.66	24056360.65	29919224.67	26833924.38	22243988.73	43059339.52	49493493.47	44907843.73	25802006.29	28397390.53	18069391.09	18471139.85	15041600.35	30098209.38	34714401.23	36982166.76	47675108.94	40888473.72	24712821.82	41834490.91	37965332.15	21678545.51	43820894.87	30790220.75	42104839.74	34964018.48	24252631.76	26655569.69	26466011.88	17604317.08	25821318.15	16704099.95	22665554.53	30511378.34	17635135.07	32151666.65	34286187.53	32165723.63	49707468.73	22730893.95	46590438.56	47896314.41	44180940.35	63600852.85	43918038.98	44613655.48	34204705.13	37867662.66	36464451.54	43810492.14	47250103.71	36436463.87	58603976.17	35694159.2	38626209.37	50664096.41	34571475.05	29836317.68	35930445.27	41929253.4	36672107.87	47489811.14	49238619.04	45385821.67	29980394.88	39226009.35	44688823.29	27655022.72	42461805.66	26618566.97	42596242.94	26844577.63	23355617.82	27231807.76	28880243.01	33234766.75	30514558.83	27755039.05	33234560.47	26361821.48	35653486.14	32184504.81	26644042.91	43518676.59	39184619.33	42267889.69	43800027.8	40203959.05	38774746.16	27935521.85	26647922.94	29387241.98	29059994.92	25723106.59	36416218.93	40200582.77	40620822.85	41479512.23	30151744.46	33649135.15	36455904.27	26957681.96	32436126.46	42531387.85	33858834.34	29596935.53	29461733.38	27074391.29	46653139.19	32571032.04	36041737.08	41185138.14	26414315.46	32667714.84	51127246.18	40139649.64	44192043.62	53668354.9	38277752.35	40017555.24	30774120.91	41115722.76	34434228.48	44766302.97	39007331.79	37096880.56	40938595.49	39736402.3	44539826.37	46232054.63	37595254.56	21826934.17	32432660.97	32881160.04	34254698.63	36837372.95	27847896.87	54372461.48	24205973.72	37273566.48	47238517.49	38747489.47	47685711.31	48883221.78	29198105.47	37445463.59	36645515.79	32702247.13	37593864.44	40698771.56	50720670.34	29065745.08	29490247.97	25639000.62	41889265.58	31607665.3	47949150.06	36120314.61	28753153.91	51217060.47	45316673.11	29436835.5	38046540.62	40291535.41	56151195.85	29596187.51	26211133.39	49489961.82	25695633.16	30753660.08	31809528.22	37256326.45	51328963.37	41029172.12	32922615.97	46868308.26	41468609.04	39861918.58	47279864.12	33047374.07	58036591.09	45207051.65	39356899.88	30711409.16	48568602.94	37078947.91	28031675.3	31893292.12	27115967.34	56691249.77	32181401.89	56175821.19	46895643.11	50292934.03	51275878.47	33096475.68	49326678.11	39666991.49	28935285.8	39678620.45	40564081.07	40440767.35	36897979.33	56533645.87
C488	Senkyunolide M	278.1518	C16H22O4	Others	Lactones	146986-60-9	1	1073319.152	1063836.446	1096743.282	1005505.743	1036213.975	1134149.292	1026908.312	1096475.219	1007405.29	971656.2387	985833.6473	1121223.179	963977.7783	1035198.641	1038338.422	1260821.342	1041342.978	946332.639	949128.3218	1044783.759	950449	1239720.296	1143105.3	1234859.347	1084574.925	1041635.589	938279.2799	950141.8091	1034592.798	1201596.381	1038327.307	966961.6042	1003364.596	1186139.447	847240.6091	1032710.403	984743.4705	1062869.966	948874.5726	1051876.086	1144839.237	877196.3531	1124091.144	1042410.278	1047024.455	1030268.886	879413.005	1007859.446	976869.3327	1115499.88	1030165.181	924670.6036	1030061.212	1059333.316	980280.8593	985245.62	892001.369	970426.4915	976688.6836	985434.9885	869237.458	964238.6017	859049.3275	891999.552	1012530.775	1066578.119	921331.012	874999.9186	930241.9155	879714.2958	872204.229	867932.597	1076344.438	875543.1524	925717.734	798427.8208	726632.1627	691995.3584	727982.0408	707496.9996	665877.8328	657961.7947	680900.9152	697508.4188	711656.1	706614.8519	656227.2935	735687.4918	768067.05	727570.7985	707152.5886	725337.3098	977185.7768	1200192.542	1122732.287	704068.092	676637.0318	608169.7906	767384.0737	632097.6273	673360.1577	687558.595	714266.4888	709429.7718	721884.43	715711.416	695112.845	729203.5935	674255.3217	716087.4356	692197.407	683405.242	674616.4031	696508.7338	697246.7898	928215.8807	883853.001	667777.6865	685154.5527	1005848.879	661379.2569	676107.103	666160.8578	682328.2465	681060.6693	696823.8365	722961.7497	686103.2727	700783.3809	846478.7264	702211.5169	1134325.532	966845.2778	854611.716	726927.004	945056	730519.9688	660291.0715	686317.7372	915502.581	712825.7335	752623.124	719557.0413	806383.1892	688176.5585	1002431.951	962065.513	908273.137	980864.8685	703593.1624	702402.152	972579.7735	951286.6545	703663.656	924830.4042	692543.1945	828290.867	814029.183	901363.5795	1111457.027	839578.061	841856.5267	805521.5247	854764.6785	833464.3283	789679.8	784125.5193	769251.8506	945894.7085	895669.731	844010.3289	839549.3109	979013.9923	842604.3215	1167328.317	912780.0627	835985.4413	1139641.571	793706.7625	697049.5505	795071.998	752138.2909	858497.0276	974737.4662	891297.6295	903921.9551	846971.358	1049587.308	878373.8879	923738.1471	859812.548	874734.0327	721090.8333	830176.0688	969096.4978	843075.2917	781656.685	665933.5145	796214.104	680543.6573	858085.1318	880230.0309	811516.4182	818384.8786	801792.0116	762721.4645	857478.7843	899038.8945	1066154.486	962031.914	931388.2785	835386.7627	845958.614	835563.69	788777.7728
C489	"1,5-Anhydro-D-glucitol"	164.0685	C6H12O5	Others	Saccharides	154-58-5	3	18786.348	NA	23203.48	30743.48	46962.348	13923.48	29455.89	14900.292	17561.0115	31139.85	35703.7615	24954.2315	22914.85	17025.348	20756.306	29939.348	19544.9485	19316.7615	22308.348	28076.67867	21472.7315	14414.806	26925.0115	16023.6825	28382.91625	26322.17867	29278.513	22052.9815	23413.5115	37703.48	29652.65067	24584.0115	26439.85	22052.9815	20883.48	39168.68375	23998.7615	33063.48	23062.306	51065.4815	31917.2315	38157.348	32286.306	42343.48	38630.0115	63951.31733	29939.348	20630.292	16671.1985	23213.4815	29352.348	23793.7315	26694.9815	33362.7615	34818.4815	36427.35	25303.04	16619.292	NA	30176.4815	34048.348	30806.48267	28827.306	25534.4815	29003.48	34223.48	35168.806	36237.09375	37139.4815	22043.48	34818.4815	27674.306	25730.01067	26441.9485	21463.48	24954.2315	38880.2315	NA	29246.34533	18571.4815	31917.2315	27004.348	16250.4815	37123.48	45262.9815	26351.013	NA	27097.806	24791.806	17991.2315	26683.48	22485.806	21134.348	60378.45	18571.4815	26339.7615	26936.513	25214.292	29225.292	38290.89	29003.48	27097.806	NA	57423.48	30756.7315	30526.348	27275.2315	20351.31733	21463.48	20883.48	30977.71875	22327.35	29266.0115	35222.348	29278.513	33657.9815	36559.2315	33377.013	28079.292	32791.513	24363.48	19902.0115	26351.013	33315.21875	23495.292	28435.7315	NA	30176.4815	19902.0115	25368.306	18571.4815	24584.0115	19373.348	NA	28178.348	14677.348	23213.4815	32192.2615	28250.806	33518.352	20162.304	25830.348	30556.806	25243.348	31700.348	15473.292	28107.513	22349.292	29964.85	26814.996	25152.512	20756.306	33362.7615	17627.35	25534.4815	27510.2615	28250.806	29964.85	13503.348	36304.513	NA	22828.2615	18739.513	38061.013	20179.806	24791.806	28277.89	24149.76375	32874.348	40933.806	21072.5115	21472.7315	27510.2615	32902.35	31323.48	29980.306	26738.316	33948.0115	25534.4815	24089.85	31133.306	57423.48	21332.806	23062.306	25523.48	32874.348	38630.0115	36289.0115	38157.348	31709.806	37780.48267	33077.7315	18739.513	28250.806	23793.7315	40112.292	31727.35	40023.48	19373.348	35383.48	26521.306	34509.84533	19603.306	19765.9875	22485.806	41092.348	31139.85	44418.34375	42665.21875	33657.9815	23793.7315	20547.348	40116.65067	37475.513	24215.306
C490	1-Decanol*	158.1671	C10H22O	Others	Saccharides	112-30-1	3	1299978.369	1251372.812	1267743.466	1299179.377	1412050.221	1321181.319	1207390.524	1285856.979	1187964.253	1216822.194	1206245.588	1217296.789	1254833.064	1182386.84	1239241.521	1231937.1	1211881.942	1130978.551	1088763.397	1117039.725	1146576.903	1142451.654	1151413.933	1225474.847	1138475.85	1131305.53	1042576.312	1067921.3	1078119.353	1116474.927	1091366.585	1100429.875	1061538.62	1109921.148	1082840.207	1110041.952	1116702.243	1137699.352	1076469.265	1171801.84	1126358.906	1027465.545	1140456.245	1123574.816	1079955.897	1062756.052	1074519.515	1122311.672	1074828.802	1037056.953	1006194.538	1125073.905	1107672.124	1109984.41	1098579.652	1102233.995	1102039.833	1107615.05	1097678.149	1044805.123	1109159.581	1067228.901	1042036.091	1081174.913	1168615.912	1130066.067	1153398.931	1086275.134	1045996.592	969051.0917	1112162.972	1100112.755	1083764.968	1113412.835	1047577.037	1107229.42	1084414.421	1045218.22	1116153.304	1002012.418	1068352.515	1080530.913	1052381.761	1136244.631	1082327.709	1018938.674	1084369.722	1092967.157	1116088.673	1127801.759	1123937.263	1204495.706	1056321.424	1182071.616	1157871.83	1074180.158	1159596.007	1168159.156	1272629.529	1174488.514	1170332.812	1092796.231	1086820.82	1133199.634	1082493.315	1133091.182	1132897.257	1071929.189	1129853.066	1150851.589	1103190.502	1240291.658	1087990.132	1160236.117	1217001.845	1047512.139	1032209.283	1113402.061	1077712.2	1051601.716	1081799.968	1079817.738	1089504.802	1022402.618	1082376.156	1119946.23	1073423.891	1087730.674	1066950.411	1035512.36	1106313.238	1080735.942	1020967.096	993292.948	1061991.208	1039568.872	1097623.701	1030959.038	1069504.665	1019139.03	1067730.537	1065582.919	1110531.84	1096934.67	1055131.072	1083678.199	1056453.84	1007177.827	1037185.792	1019430.941	1112351.297	1030045.316	1026818.503	1078253.572	1053486.673	1091670.9	1028294.82	1058007.722	1050411.752	1096109.82	997707.6495	1018143.067	1043104.432	1014747.785	1059575.985	1000149.71	984250.5075	1074814.359	1097298.168	1027065.186	1034744.913	998053.56	1033018.261	983464.7547	1063466.914	1055954.149	1006345.149	1196672.618	985290.345	973121.3466	1007561.184	940720.2351	1027900.311	1057556.474	1023315.796	1022692.028	1101397.635	1231837.398	1087575.743	1197156.443	997981.056	1042933.875	1066064.332	970882.9445	1004072.462	1011259.59	1041154.627	1073616.862	1037868.487	1113272.843	1081926.03	1025240.749	1045896.1	980928.87	1002390.041	1012412.754	992094.1843	978459.6415	1042629.705	1012513.596	1004490.045	1022205.333	1028443.586	1013149.515	1046831.175
C491	"2,6-Dimethyl-7-octene-2,3,6-triol"	188.1412	C10H20O3	Others	Saccharides	73815-21-1	3	1626334.15	1542033.022	870855.5874	173205.2143	122703.1748	1974860.778	1358098.308	1571088.693	2182019.157	2549963.649	2130609.123	1849293.034	1328516.499	831232.0714	998272.533	2644231.599	399773.5412	567668.018	583646.3647	1070813.952	302140.809	1681867.836	3172100.875	1642634.603	352710.985	486931.401	2609210.543	899042.3043	1227856.818	1048907.084	2367582.512	1504061.827	1489685.01	819889.8666	138289.895	593211.6064	1356893.378	1247304.688	1735291.473	371874.1421	1024645.576	2424958.251	641446.654	1905963.077	1251742.957	710982.2987	312994.2049	7324152.739	2839686.3	1353514.334	1691137.964	493976.2878	2116231.763	2735705.567	624159.1677	2513577.176	1865007.187	988589.9893	4263129.717	773043.598	485779.5978	3071761.936	1982734.418	1388135.155	1158381.785	1153816.172	1219152.995	485039.8	477769.8213	515799.5387	908155.9945	737772.539	3514086.153	1059016.578	275384.1382	222249.7133	192493.6813	384793.207	167982.415	208421.0917	580616.3833	431917.8705	105894.789	257802.868	254781.3463	336693.3585	256364.954	187275.1058	294115.9095	775385.8437	408516.5577	94626.78517	166935.2975	340989.935	224235.466	158889.2097	147902.902	175533.655	351457.1355	262400.81	443303.988	154750.962	252108.8375	235189.3551	129594.74	365355.7397	834062.0393	219208.6577	181444.9707	601232.268	280599.1995	216345.6738	220786.2203	512813.84	801250.9106	389496.4387	200496.5095	207254.7611	832273.6483	758524.3603	201289.2482	323896.58	248968.8973	108423.9473	250420.3488	428722.9802	2633243.068	171631.0436	422716.487	179680.3017	417835.05	942878.64	252798.5648	167481.9433	182652.096	106987.9357	251169.2347	1234966.53	264105.12	522485.2056	416599.831	296041.57	607042.62	244599.1033	210402.0035	786002.9624	326697.98	200625.0699	413591.8693	424988.342	281116.4022	460489.2402	1252914.555	2227151.936	1313581.755	327997.179	219539.4071	1029729.93	1015533.756	161818.891	724238.9287	318141.5379	378121.5289	419912.142	336633.96	255485.7585	214083.4393	680395.311	1802437.193	193794.1721	1066482.843	1350176.768	908312.7671	130732.4718	405180.563	1277527.368	215156.9973	2165923.85	240554.1427	727567.8784	305700.2103	155616.1908	1451605.535	1288304.545	2450669.452	224336.4408	150354.5886	2558349.319	216066.6064	1727411.778	321904.593	193947.6544	918541.6473	227855.1741	214174.9511	806399.68	1166821.344	361364.4992	228707.9661	296383.2993	635492.6852	1129451.015	420123.8055	857731.7241	802945.26	1008234.085	928909.5564	753420.3978	625284.078	1280608.552	2179199.332	1056121.812	1053641.64	1035298.917	2090053.981
C492	2-Decanol*	158.1671	C10H22O	Others	Saccharides	1120-06-5	3	1649294.365	1558444.604	1581881.914	1594332.352	1790440.585	1643110.568	1491960.393	1590339.732	1451417.765	1524424.951	1524321.811	1486301.258	1580857.474	1501517.431	1539504.183	1439962.275	1516720.585	1416138.996	1386244.626	1482787.895	1408559.321	1449964.425	1456666.979	1548200.962	1446769.079	1419100.792	1315053.675	1347235.558	1328851.485	1419969.143	1334512.884	1413265.241	1415614.777	1360211.714	1338708.197	1408812.914	1407646.635	1515803.882	1336352.509	1474388.471	1464638.767	1316749.972	1384819.94	1394301.846	1417347.538	1332874.483	1320924.05	1428286.976	1340751.548	1411710.582	1331361.224	1324289.192	1334480.422	1293977.437	1337232.946	1350127.335	1283689.909	1390762.268	1382429.02	1344540.359	1275874.144	1328770.333	1217667.065	1321950.287	1394562.105	1308306.882	1380199.625	1369787.064	1328482.774	1217906.572	1304252.886	1313419.215	1282991.851	1317762.684	1264371.193	1316758.02	1367447.923	1296570.763	1343490.212	1212891.723	1313932.158	1281556.458	1281081.38	1327001.704	1333672.426	1181622.969	1376498.098	1288778.107	1328082.068	1360967.257	1346090.04	1445410.103	1315632.739	1401327.238	1363822.247	1353637.113	1430338.701	1363581.565	1495991.907	1376603.572	1406127.922	1285797.515	1261292.81	1368399.717	1259793.041	1364277.591	1341996.524	1355022.997	1402746.252	1408410.991	1360422.25	1447563.102	1331417.465	1350739.718	1475661.907	1285240.085	1288540.277	1281502.442	1294410.207	1305576.834	1283549.085	1268148.025	1298027.077	1224190.597	1259476.407	1284116.828	1293880.219	1341974.747	1354615.345	1202095.163	1354801.023	1324358.396	1259651.83	1204987.579	1289573.143	1271303.334	1415017.913	1301885.477	1344493.09	1204726.77	1335322.055	1339243.309	1319204.48	1386303.662	1327171.929	1302275.646	1354907.171	1235542.373	1259076.168	1213764.854	1282385.394	1345802.685	1390865.583	1307832.116	1407728.161	1318903.292	1327423.701	1429209.235	1421527.962	1394823.797	1270678.234	1281252.57	1320061.909	1277791.973	1285441.518	1230198.603	1301549.519	1361532.816	1347277.038	1316704.25	1255498.263	1241999.23	1329905.014	1215707.37	1318076.87	1350696.845	1299941.58	1450727.941	1103690.442	1259943.892	1273955.154	1209980.649	1386984.012	1369724.235	1326946.341	1272323.046	1367662.848	1463858.545	1328713.742	1479773.985	1285876.732	1227156.98	1320620.261	1237969.992	1250384.905	1267155.1	1212609.661	1301877.992	1354849.441	1388216.312	1343387.037	1256787.699	1338950.872	1202387.168	1324688.659	1260639.88	1203135.724	1322670.786	1278818.805	1355561.997	1195287.309	822252.3844	1268572.962	1271661.81	1326481.332
C493	3-Dehydro-L-Threonic Acid	134.0215	C4H6O5	Others	Saccharides	-	1	17843192	13750742.64	8105472.059	10037209.54	12491692.81	37872706.18	14778885.41	18603069.12	16396204.57	10349056.19	21271343.83	9865140.581	10984971.66	15263480.31	16235197.8	13376770.35	10729906.01	9715151.541	15626306.68	21170659.16	13346101.64	15069107.44	14545157.7	24348075.57	16322065.02	9841395.6	12511274.19	17517366.5	15203407.45	9847677.151	22723166.4	14062823.38	6002105.668	12373349.17	10810270.83	12627396.39	15568229.73	15263349.35	14104842.16	11281591.54	7245502.677	17525331.27	9076202.179	9144831.115	13431723.88	8978234.785	14701146.64	18456786.1	11547504.27	8182024.984	12392503.95	6765901.028	15806640	9057829.425	12930896.39	12582028.17	9567226.155	16633186.04	9165850.778	11540363.99	12053454.7	15012259.27	9130939.136	11444784.76	22648992.63	11797854.57	13024803.31	11459870.97	17732066.77	13359946.78	11014690.34	9828214.128	15548413.88	16812091.96	23957125.62	13610299.15	28075371.69	10179738.07	15243329.79	9313285.106	8689062.696	12147148.47	14020749.35	12076547.82	11989497.09	8542218.024	10767015.2	10325923.47	12923515.9	12063251.6	24926049.62	9927943.478	11418723.7	17439510.66	22529849.85	20597229.86	11549436.14	10247003.72	13784359.44	11955995.34	21933351.24	10334254.91	13959167.26	16371272.38	10461460.15	19369909.82	9601780.716	16890247.6	37218060.35	26377672.47	23559527.85	11924326.95	11750510.77	15263553.11	18305066.98	12086513.39	15583179.85	10562435.16	23444372.5	17403024.26	12960066.88	11952210.69	15994705.33	14084123.08	15224303.66	19597843.65	18729556.21	14680360.96	11780555.67	12168597.04	13941746.95	16690765.3	21949145.22	16315187.86	18549906.71	13464097	22141991.06	18733052.67	13966060.06	8558247.132	14471037.65	11765299.19	8761040.899	24181042.86	11861278.55	20842533.46	12336101.91	18568646.16	25871177.17	8596262.095	19142485.54	16623918.08	26112253.82	17039679.23	13734437.37	7867412.702	28525605.91	16270971.44	14273087.59	19675598.84	24787775.3	18244801.83	18673124.7	18891241.37	16093665.43	14261928.06	13053017.08	16908201.63	14864236.11	15675916.36	18700731.09	17221894.71	10071895.71	16609800.39	13798559.6	15556819.54	9164577.872	11603056.12	12287277.94	7928366.256	8255702.665	8122502.381	12769781.38	9514153.12	15307862.76	7417499.798	17126432.17	10059938.48	10567993.57	15627614.27	19327762.51	18147215.77	18510720.12	12058228.33	11734333.97	14585676.04	13891264.75	9939262.894	7299655.873	8324116.355	16520017.69	11014520.57	10178523.81	8892550.735	11120148.17	12728434.52	13378322.92	11643743.7	9729592.429	17273251.77	10106891.15	16490335.61	21562663.36	14641520.46	10536940.43
C494	3-Phospho-D-glyceric acid	185.9929	C3H7O7P	Others	Saccharides	820-11-1	3	596745.378	504864.36	539261.1671	853400.3265	1048541.022	559560.798	546379.1005	1086569.117	545165.0725	449106.4539	969318.9262	480871.4151	730102.986	552828.5629	483095.1561	1069672.585	995466.5584	899445.4209	690511.234	508434.408	801504.8821	761277.3987	475992.8145	623273.5456	1078902.856	1012389.043	1036636.07	742540.5944	702460.4442	651860.72	925041.246	686489.175	NA	792867.5617	1356521.52	928527.7995	1099654.702	484611.022	728670.201	1572639.04	783529.0502	462316.008	599164.5842	404913.792	552194.3804	638855.7236	1423977.861	548152.6492	583879.725	477837.7857	389139.3926	1513757.56	726916.3813	720411.6112	918267.9348	667040.2073	670201.1994	595257.7107	694011.779	799941.06	2126781.573	630478.8	558986.5545	790678.4416	477521.8159	739425.678	539337.9668	1020264.146	905067.1283	1725662.076	NA	831856.376	407122.9504	595611.5914	1314185.79	495698.176	803288.8791	1316483.883	1072720.81	1315342.47	1609190.886	1242260.448	1280196.386	1041883.296	1656865.079	1447397.755	1345770.49	1037880.386	625918.4746	693860.5837	805416.1815	1073668.349	669653.5215	595446.8603	990954.6621	1578083.765	1385624.308	1748918.422	NA	1169968.877	1383754.821	1249504.216	1436246.326	1184732.214	664389.6035	1253737.476	NA	971104.6915	985680.3209	778370.9876	1665134.169	1012514.673	1100645.616	733176.085	1562115.555	942143.136	944351.4873	821492.59	1149869.387	1486245.314	1020325.198	553898.6011	541159.9035	1373776.447	959814.336	932583.4216	1056850.033	1310530.098	1039844.444	1446835.104	1096650.236	717235.3751	856990.12	917444.0451	1512948.547	1049550.326	1497484.957	630361.017	879253.9749	949364.352	1592906.618	1092133.9	1244604.25	1340200.38	1579806.323	NA	1282929.496	964495.2734	930251.4306	1891546.126	1569834.825	1118409.091	1087379.448	1261148.177	694122.7559	1086486.499	1215226.773	963576.4143	592357.2657	1742440.505	950409.347	933934.638	904214.165	1572349.227	1208166.083	1557940.027	1358844.995	785534.607	631500.4911	1105541.169	1570275.268	1200511.663	668226.623	1374547.968	620213.5407	751249.8616	1093222.62	718010.0991	1326202.211	1232360.304	1130823.415	1663868.923	608236.6896	622748.125	495481.6399	1181698.203	1280214.176	536446.997	1195718.108	813647.2432	620208.44	590545.9144	877033.5504	1225104.204	1362936.934	1447295.059	1556063.146	718054.1773	500287.1082	497831.2624	1359454.522	597599.853	816846.5382	756939.91	916168.416	667293.3321	1239198.403	958830.6983	943604.716	760935.0364	696499.8493	910547.9036	849779.695	769153.9222	706539.57
C495	7-hydroxy-N-trans-ferulic tyramine	329.1263	C18H19NO5	Others	Saccharides	-	1	5847998.654	3891534.325	4547493.209	7978353.275	6146407.262	3436389.796	1839583.501	6685686.284	1996338.263	9495517.614	5705042.168	4357190.993	2093538.664	2738942.12	1274507.125	5016463.62	3472691.032	8810180.939	2139279.442	4027668.016	2341632.227	6654397.44	9115089.035	6346269.932	6136752.4	9921066.612	4130161.995	1974715.699	3870473.876	5363812.8	1574044.875	3514549.08	3286063.692	7622688.514	3253615.844	5474148.55	3259510.849	6498066.455	2059222.257	1613561.197	4698517.103	3030231.6	4746375.154	6099286.041	4688229.712	5355864.428	4725020.288	8456961.992	3217618.716	4584253.947	8260560.684	5821883.84	2437350.112	5117834.872	1991241.104	5282783.45	3083705.72	2411755.666	4188276.862	4005221.121	4954159.393	2260533.13	2704325.166	3641145.2	12408777.51	5606120.269	1017815.711	4726082.556	2555430.357	2612094.54	4891073.236	2937639.905	5974620.022	237911.856	2444428.676	5023728.365	6319092.582	2772536.224	4560242.69	1551068.48	3143105.029	1922121.4	1010688.796	6173280.577	2403738.942	4086649.937	3472648.817	5473587.454	4601017.561	2424102.205	5183717.176	4374456.004	3258182.253	5262435.84	4179923.703	3568643.699	5866014.576	4524239.489	5848762.928	4341264.711	2347267.796	4015310.099	5515963.968	2217801.864	3702613.615	5888040.056	3699552.235	4183961.103	1493058.569	3733356.765	2962042.477	2955654.846	3256620.349	3022032.009	5767076.902	5514473.027	4024660.901	2156596.077	2899791.336	2101743.699	4650505.856	1398975.521	1000661.031	3062031.2	2719587.633	3149318.69	2779881.78	5531781.667	2785248.647	3528402.8	2786489.713	1929984.103	1292221.459	1203382.049	2319408.693	2855392.8	1262188.512	1662563.025	1228533.603	1302555.696	3802266.213	1842911.803	2356259.425	1888105.699	1138989.384	2106949.995	3724081.963	1918393.307	1637409.384	2885828.408	4129556.053	4333584.574	549194.9265	2796759.759	4513775.921	1812515.771	1725770.936	3263698.198	7485622.029	3077707.36	3421713.033	4357781.72	3693820.412	7048987.455	1259265.696	4278169.673	3572196.836	5085730.379	1563586.103	2896672.772	4509020.882	3186965.407	1916667.52	1815692.496	3994019.705	9642699.916	6636769.588	8055978.174	5029567.885	6036339.387	5427486.863	11607475.7	6983366.032	3177153.627	4593860.318	6544795.371	5500217.739	10729657.39	3288058.154	4872642.92	597513.1973	4472278.067	2434835.875	3080911.548	5099763.207	4561295.856	3760247.399	2232577.871	3068626.604	2419274.24	5180626.697	6946772.926	3570766.81	3645600.496	6808281.712	7955400.814	6162015.529	5193831.472	6693533.376	4147742.025	4421209.54	3962714.206	2172880.437	3775867.212	4880878.121
C496	cis-Abienol	290.261	C20H34O	Others	Saccharides	17990-16-8	3	5399.94	8317.335	6869.592857	4793.3325	NA	NA	5288.1256	4061.18	6482.78575	6074.909077	NA	NA	4084.749	NA	4492.796	4793.3325	NA	NA	4208.555571	7371.903	7669.753636	NA	NA	6071.285	NA	8092.412714	NA	6054.034286	3410.0465	6588.065846	7172.0025	6552.830308	NA	5913.261714	5918.9715	NA	5558.737455	6640.308	2519.226	NA	5368.47625	5773.502571	NA	5350.171429	NA	4208.486857	6897.042286	6954.633	NA	3922.3524	5490.130286	NA	8512.544	8801.076545	6216.575	NA	6077.234	NA	NA	NA	7623.775	NA	4709.544	5890.422571	NA	4481.6478	NA	NA	NA	4371.817333	8754.28125	6948.438462	8370.858	8246.304	NA	7998.150385	8816.696	6730.174571	NA	NA	5875.670818	9739.63575	7307.928	5930.780375	6727.487429	6920.1675	NA	6582.712429	7226.20375	6885.604385	6071.890917	NA	NA	NA	6201.059615	7178.587429	8298.08975	3526.316667	6783.756	NA	7070.715182	NA	8196.218545	NA	6641.252	6929.706	7803.91	4915.036	4927.853714	6359.528	6438.777	8225.679273	8163.801	7374.9585	NA	NA	6505.299167	4227.73775	7082.213333	NA	NA	6408.85125	6501.378	5305.824	6125.80325	6650.603667	4331.688	6405.409	NA	NA	5740.499667	NA	NA	6352.578	6029.840857	5739.345333	NA	NA	NA	6170.04375	6935.487	3793.596667	9103.17	5359.745667	6616.310857	6937.322583	NA	6012.923429	4296.836571	4202.6336	5600.8128	NA	7227.64625	NA	2962.525	NA	4292.385429	6073.561083	NA	6772.542	NA	6360.195	3921.543	7382.314333	NA	NA	5084.42125	8111.307833	6784.59	NA	NA	7145.018091	NA	8457.845333	4634.884429	NA	3763.345	3222.2214	8725.362429	NA	NA	6617.124571	NA	5366.838	NA	7307.928	NA	6938.015	4491.900636	10899.22909	6375.429	4296.094714	6312.58875	5833.652	4476.1108	NA	5490.130286	NA	6796.272769	5948.962	NA	4506.349714	2393.807333	NA	NA	5632.395636	4913.027	NA	NA	6313.564	NA	NA	3371.424	NA	NA
C497	"D-Arabinono-1,4-lactone"	148.0372	C5H8O5	Others	Saccharides	2782-09-4	1	434649.915	461508.0048	540128.0541	462760.1503	532337.592	384997.1635	515242.8491	542506.2941	505719.3388	596916.9588	461485.5793	478658.3746	486886.8558	595709.9314	486704.1487	727672.3132	462674.6564	516369.8313	450904.052	597583.4803	469544.3226	447005.9073	362732.915	345035.1017	657345.211	463069.6272	617025.7216	488607.379	475723.6177	530605.1904	439297.8503	506814.578	733015.5766	488563.4631	792537.0308	476745.0396	413350.396	482801.6396	497908.351	534070.728	483964.746	497993.395	490223.3687	463646.075	467397.8604	531681.2248	563419.937	679345.7	821356.2989	562684.5664	283485.904	273778.4957	464588.8462	599192.5471	431874.2317	458194.2973	576950.2868	261566.7637	563668.0388	256799.1697	512983.6719	465719.5082	431404.784	346323.4416	281947.932	463683.957	388190.1049	421825.3964	469701.088	572426.5681	264544.6333	532820.922	425402.7062	425348.177	252408.1207	263135.86	435600.6182	427701.468	523316.5851	268714.9377	512672.5583	469086.5413	422229.0814	268119.7927	564816.5923	470350.2733	299789.9527	594200.5185	628231.7014	282194.235	294695.27	466555.3122	298669.414	389791.6062	218243.868	301552.4512	539026.2435	600948.3923	467770.5771	511251.0632	491690.225	291774.7787	567053.9851	491143.9454	297809.168	392907.144	354499.365	604944.2966	391953.987	340544.9808	441372.9493	551610.4	496096.38	444447.4178	522258.3154	666056.9694	417550.43	484203.6263	296572.624	424479.171	421619.6558	435552.3755	426923.6063	547072.2823	384102.72	281226.923	440394.3661	546375.1662	308660.87	475516.4095	512307.4798	684475.8884	443773.299	495194.31	533023.7364	530969.194	488365.0132	696110.865	395511.0295	414925.2775	630857.538	454864.2053	466545.0755	434239.8202	490207.2351	505009.7945	313172.28	401125.4563	551259.8368	529312.9962	452907.8885	599396.7571	406707.9783	500648.337	322929.6596	552498.0717	448060.028	456074.4547	516545.859	489739.0683	568197.1014	510226.5358	318424.1312	488835.6996	461596.8223	582266.6325	540694.8995	431942.481	370161.7338	511755.292	433504.24	516693.213	504295.7338	625778.4351	422233.1103	504924.595	640628.1538	407649.7192	731583.9884	365791.335	559145.7027	468437.7329	496008.6938	513112.2552	453731.523	538755.228	633781.8385	1078458.727	691822.3342	574012.1811	489426.6585	564284.6563	916747.9443	505743.0205	488672.1769	1237201.084	993267.5339	503927.1098	514161.1767	479415.2348	545408.1838	550678.0017	577607.183	529683.5593	571760.9183	605006.6669	563983.0543	777937.6972	702749.8506	434315.4365	442937.249	427626.5147	487333.0562	525424.4537	537347.7746
C498	D-Arabinose	150.0528	C5H10O5	Others	Saccharides	10323-20-3	3	64485.4312	150777.214	101032.2705	118787.5205	106597.5399	90011.7705	95953.214	107366.1	71241.5885	66746.2705	126776.6133	84069.0172	102996.3004	77755.06463	71373.6576	107462.0021	81037.0564	112284.1224	51830.8312	84879.6315	104418.2982	85269.9564	152673.2848	65951.54817	62460.5205	73801.78988	75619.25778	120624.2705	113987.6499	60869.8312	77886.214	57180.3565	90011.7705	138400.1336	116950.7705	105084.4172	75692.61333	78506.1172	90331.7236	121531.216	105951.8978	105702.5172	76791.4552	91236.2705	128247.651	111858.2552	74127.0312	73524.4312	82870.214	88184.02162	81358.2312	101863.5324	93958.6172	102806.2564	92722.4172	105118.4196	70972.47	115738.0841	92728.78111	53647.5324	92807.6312	88898.1564	132442.4236	66562.1315	82664.7705	192368.5493	108423.651	61081.9564	103642.5967	95857.047	176598.3324	55553.7248	111952.4461	65309.4236	85576.4312	78345.2312	100055.4324	95214.1236	72921.8312	113390.0372	68605.416	56863.416	59664.6312	90999.8312	81826.71483	130611.5236	75332.2312	73175.9564	79827.6564	51440.0205	83166.0312	128203.6564	83179.8324	147065.5224	95951.07	91657.35287	126389.5564	124163.4324	96439.2324	106544.214	126553.2312	113086.1564	105812.2552	71114.0312	101654.8966	56254.5172	98247.3324	91921.6564	56736.1	92859.10875	63500.7564	86781.6312	65401.266	68692.23	124508.5236	91030.0336	148874.1324	137878.8564	116911.6312	95229.7248	121129.8312	87971.27488	114900.2564	121551.9564	61817.4172	113898.6312	79827.6564	81974.4324	75672.1224	91945.164	84055.416	103286.6065	74179.4172	87145.416	81746.1	98231.0312	73278.54817	117184.9236	118405.5236	82590.8336	77396.0552	81960.8312	87980.151	89560.10125	87777.6172	98826.1	195930.0564	136194.8312	91014.9324	114746.7241	118064.5172	120947.2564	127115.9651	93543.62514	32143.416	80919.4688	106827.3248	57616.768	62445.6184	79359.3248	86121.651	123911.151	97152.27433	81624.214	94992.24775	163594.5248	61647.6236	69094.45333	105941.0841	108125.4364	126389.5564	52545.9172	156728.8374	98891.89912	108475.2312	65919.5564	73853.6236	125857.214	102757.8245	95531.77163	95617.12275	115725.6324	60092.0885	134442.651	99521.5172	90011.7705	159206.5874	76186.8552	123627.4172	129998.2489	126467.5254	102834.9633	42124.9248	75696.9248	82819.416	89764.25213	132442.6013	55645.4184	81004.7196	134989.6312	79460.63125	69662.554	79346.3236	72898.525	92772.9236	97049.1172	85441.1025	126157.0589	99740.58738	85923.3172	84069.0172	65349.88267	108434.5896	122761.3564	78429.8688
C499	D-Cellobiose	342.1162	C12H22O11	Others	Saccharides	528-50-7	3	15735.0255	16757.223	22036.277	12133.639	12526.26	13001.476	13654.723	30482.42662	15522.4745	15650.0075	8494.639	19518.277	16642.56	16364.2755	8187.277	16904.88375	13346.639	15675.848	13847.2755	18550.4172	17622.7755	26557.44	NA	28417.608	9550.090667	12358.27467	21794.97	16476.1	17135.1175	20387.94133	18183.18133	15111.777	11964.277	26585.7172	10705.277	12593.777	13001.476	10505.27467	17331.1875	22240.94133	18782.50875	21911.88375	7888.139	17917.27467	17299.608	22038.795	20034.25875	14239.476	28012.365	27539.2575	6187.474	26564.608	20139.7755	22036.277	8962.56	10709.5285	18891.295	15111.777	20805.6175	11895.5075	12593.777	11527.139	17998.223	17622.7755	20075.44583	23482.60933	17912.44	NA	12382.476	12162.56	21406.777	8694.2245	15446.608	8070.223	11334.777	19510.5255	13442.56	7449.723	14476.5255	19173.28	11763.476	19770.27467	10071.7755	17299.608	13123.48667	25444.223	25042.46483	NA	14559.639	41534.2755	18888.777	23252.6175	31300.00875	NA	10071.7755	18354.86625	12593.777	29590.277	14401.38375	11793.223	22240.94133	13589.94	19764.94	14211.27467	15741.277	18259.277	26442.777	29103.6375	23915.2755	15785.0375	36447.27467	12588.7755	24253.6375	10502.44	22281.1875	14215.10933	21406.777	14688.1175	24711.608	8156.016	20147.777	18881.2755	24610.78111	22699.43	24554.277	13218.0255	29714.476	23499.48912	22830.67667	9311.223	17527.2575	22640.8675	26442.777	12588.7755	8034.608	18547.416	22852.44	35117.016	14066.946	16370.777	11330.2755	NA	NA	18888.777	10822.75733	19404.5075	12354.94	18805.139	28165.0075	21576.807	8813.2755	16064.27467	11424.807	16010.96538	12593.777	27074.795	20429.06375	12588.7755	7284.6405	11172.723	17294.94	6811.476	15159.8875	NA	17998.223	22341.723	26097.73875	11333.518	16002.56	33425.43875	15111.777	15650.0075	21417.3675	12812.562	19095.09067	33976.608	NA	19038.807	15741.277	26442.777	17949.9375	18888.777	22915.86375	17629.777	15111.777	14640.75733	22665.777	21406.777	47754.9525	17377.723	16712.4375	21406.777	32187.68875	19673.307	15735.0255	25841.80333	19510.5255	8322.56	20155.7785	14482.277	20759.516	11404.8	28546.723	26442.777	24203.223	12593.777	12802.56	14688.1175	18043.3658	18259.277	28320.0255	12593.777	11330.2755	18529.94	12972.44
C500	D-Erythrose-4-phosphate	200.0086	C4H9O7P	Others	Saccharides	585-18-2	3	223669.8285	398604.96	446422.5525	212618.1445	280133.1975	220747.624	215252.3763	330904.5888	187114.953	308612.479	142867.461	341930.986	292616.1505	249914.98	141232.9762	349566.4688	516760.815	420353.8365	194137.9775	172812.9243	388292.7987	320173.515	332356.1965	484636.952	197786.1862	193239.826	302508.9582	489367.254	192053.52	302979.5024	299081.4331	147923.7	264608.5065	202953.9763	303939.5316	158072.338	272766.3	125483.5575	177440.62	157758.6845	187916.9616	608884.432	293905.9929	136561.8898	598935.216	237080.64	201665.6615	542867.8236	284484.9049	342482.0611	311109.5568	247388.4395	178771.2125	300856.7374	218335.409	297673.818	226280.3187	187677.7509	299314.113	284218.9632	159206.6143	193044.735	279820.603	289222.0736	232003.4976	306489.4489	376060.6043	309427.728	173459.5673	245966.0979	436486.5136	307671.5185	298660.3566	317393.6487	355119.31	384999.7292	197611.6128	358146.5543	133294.8397	356693.8804	285781.3104	167614.5615	390774.945	302041.4192	389898.4224	357243.0513	357381.5792	244320.834	236103.735	424940.7069	425350.453	236132.2629	456577.875	441726.753	303898.4317	287621.205	261297.7929	198845.3384	220747.624	367359.2077	377275.5847	326103.175	323650.461	208240.9728	222977.25	130076.3712	287032.088	362526.765	466190.232	301102.2112	189327.555	360145.8548	209392.209	161682.75	441146.6679	104886.342	234003.6563	370086.002	351010.6982	498055.8289	346438.4	442353.327	371070.3625	474033.0491	472444.12	461417.757	869389.4617	626227.712	338015.2149	364426.292	197675.73	203523.5763	574371.2464	222727.531	344942.3543	301727.6	218289.297	495523.0597	350356.1655	361758.176	182487.1478	206714.25	216430.647	170931.0032	267899.8394	224432.1811	335738.7921	370915.0187	339560.248	149524.4569	128618.6701	215876.505	572703.489	478909.4058	345008.6016	293940.651	331742.888	330493.2352	597771.6715	191179.3541	328391.751	347669.586	505762.48	163093.554	174601.28	189952.65	257673.5106	324913.668	344019.7233	457895.7495	262391.9848	352833.1095	273048.0749	371336.4095	304886.274	354264.0123	307003.2273	487311.708	231869.6573	554887.7614	316452.6882	203463.007	217504.8714	98424.84188	522502.7293	357452.8194	310273.276	162066.5469	292905.426	286407.6575	250642.554	209848.5	417468.4864	171642.3345	218963.9835	450325.125	156504.0705	401532.2722	451995.9563	136776.457	343982.836	206991.32	219904.024	378004.617	276576.7244	175724.1296	148035.426	125483.868	209554.785	202524.4442	259685.9177	222100.085	224189.1225	157423.7829	438979.0163
C501	D-Fructose	180.0634	C6H12O6	Others	Saccharides	57-48-7	1	171052.44	165212.4375	257137.0172	175547.8172	107574.2184	703946.1	117592.4388	131662.7172	210381.1875	192195.4763	141903.1163	124863.6172	154411.7547	107976.1	107696.1188	286096.1	118528.4564	107049.9375	101993.9172	141053.2982	87828.09875	444472.8565	131188.13	190326.1	102595.416	85406.1	175578.3675	96996.1	136426.3675	114686.1	115712.4375	131532.3675	106875.216	335506.1	82966.1	169620.8513	136426.3675	213506.1	99486.2236	137247.8184	148907.1025	229366.1	85021.99125	113898.6312	98517.99375	69751.139	206452.8172	172026.1	166449.9375	103848.2172	184226.1	114709.6013	117736.1	130308.8675	129936.1	344797.3525	142543.8675	172457.3172	182919.3675	76881.85125	125056.1	102168.3675	201909.8947	131156.1	147749.547	176332.2263	111956.3675	103325.8688	115906.1	213073.047	134233.6013	158512.896	161504.0312	152565.03	114076.1	120176.1	86033.72625	130490.4572	167756.1	130069.2312	132986.1	106146.1	84602.44	83700.639	107366.1	139224.9375	123836.1	109629.4853	85458.8565	84796.1	223876.1	89933.3675	240956.1	110121.4363	126886.1	184716.8663	116255.152	145774.2747	191585.3513	104016.5613	138476.1	100333.1175	130282.2413	121685.2747	147626.1	172333.9413	157386.1	192707.3675	183553.416	218699.3588	144990.8675	135237.44	104262.2075	137821.416	103758.3236	98846.35125	164129.7263	294257.8675	177688.2982	129969.9388	323916.1	145769.4853	203107.1175	97274.3675	172061.3513	140442.7148	129723.6188	126626.608	166449.9375	97089.03	123226.1	162119.8675	118956.1	128689.7237	117126.1	115296.1	134206.1	86631.1875	191508.728	142804.6025	72804.3675	90184.27467	121132.6175	139079.9172	117240.5482	148846.1	184142.8675	112856.1	162567.7172	181629.5737	226232.0172	130920.6175	136714.5236	159477.2172	148327.416	173743.1175	975721.173	94482.44	125691.8513	222182.3138	104003.6175	125400.6053	123579.6175	150547.173	246887.4375	141950.228	159519.536	192437.4375	204598.5172	162984.1248	140708.6175	86643.85125	146214.3675	90486.24	96467.547	152331.8675	87249.9375	311575.2552	107976.1	142170.4172	138606.1875	100711.776	139377.4218	176190.1175	171221.1172	111865.416	97886.1175	138873.3675	297931.6172	163974.9375	305049.9375	175686.1	141728.5638	123162.3138	163327.0075	100684.608	107976.1	69820.10933	131793.1013	93890.27467	95589.915	103222.8575	165831.03	105770.922	103758.3236	137163.9427	117784.3525	206165.8675	112568.1175	222260.8815	107009.5075	153296.2172	170532.6564	169460.8675	144379.1175
C502	D-Fructose 6-Phosphate*	260.0297	C6H13O9P	Others	Saccharides	643-13-0	1	3011641.425	3826102.927	3310817.617	2774200.22	3538925.519	4101098.578	3653405.024	4191368.15	2642963.602	1974082.335	2731869.983	3730668.902	3232383.85	2729635.737	2401468.984	3419166.786	3380233.958	2688059.625	3197792.378	2633363.385	4609615.045	4000260.938	2378268.887	4345300.427	4154984.59	4018932.262	3317919.855	3359723.473	4099462.675	3009517.518	2948285.931	2019516.396	3476999.955	4283706.936	2977527.517	3106520.337	4545267.819	2497758.635	3017687.823	4572202.74	3242875.428	2896676.664	4027586.961	2570244.548	2336816.231	3539092.821	3792750.395	2848097.12	2358854.673	3142892.755	2333162.134	4021822.788	2660643.718	2507456.772	3512195.174	2612596.457	2331297.973	3994864.357	2112509.305	4367230.243	3497602.658	2938200.277	2349965.767	3207567.608	2578862.425	3065550.287	2540389.33	2529340.712	5388369.677	3930570.591	2527387.087	3673332.256	2109942.723	4882426.807	3686263.004	3856621.265	2168098.436	2957912.109	4075324.119	4131442.235	4752943.951	3079608.72	3826704.353	4270774.68	4193434.301	4078115.73	3042302.697	4909204.198	3591628.437	3739616.147	2523966.443	3857011.181	4292976.882	3275787.988	3167999.405	3625217.633	3826004.512	3994598.043	4175018.074	3879806.32	5465410.386	5496255.89	3305233.614	4168241.587	3582969.115	2221423.341	4532134.123	5344633.333	6138968.87	4547750.955	4380976.849	4413795.115	4390882.272	5263919.97	3689116.893	4506216.875	4329456.907	6535824.104	3074586.32	4057505.005	3949128.94	5017365.975	3948723.387	4068979.661	5167493.225	4562589.745	4294217.058	3746233.508	4349498.796	5092048.342	4553249.808	3099170.681	5109953.609	4543692.795	5647794.586	2963891.78	6117456.728	4556943.097	5477981.996	3201907.793	4175233.223	3673000.824	3528394.458	4177262.198	4660053.316	2895829.062	4842520.968	4874890.998	3920956.033	5482124.157	4517055.407	3431591.14	4552170.333	4045722.745	4735831.584	5582378.636	3775850.793	4194335.887	4271642.627	5165737.474	5311890.601	3801911.424	4637497.948	2873536.88	4110926.521	4412463.915	3535432.031	3539479.4	3473238.845	5100534.925	3564705.887	4971272.277	3435105.085	5168439.215	2910636.428	2822825.448	3865282.226	4680647.314	3715748.18	3291303.718	3253698.285	2758537.688	2768632.646	2833015.134	1982609.523	3401944.56	4681189.224	2296717.197	5529109.328	2839500.942	4110240.919	3570894.033	4105724.276	2924954.613	3185240.873	3843400.848	3437601.123	4606044.732	2810753.365	1741078.6	4650395.986	2901620.519	4588319.282	3423261.296	3205296.322	2103766.351	3331869.322	3024922.019	3443706.608	2744859.677	3109341.17	3236237.503	4032933.702	3071848.596	2593532.392
C503	D-Galactaric acid	210.0376	C6H10O8	Others	Saccharides	526-99-8	1	37094.18133	44549.53	59477.825	39794.74133	46669.59	82436.02625	43431.7048	35602.524	33979.53	54865.51467	150281.6952	37242.9084	87944.46375	30133.68	61901.76625	29907.8505	106129.4952	38689.2832	33741.6005	67228.18133	61117.36033	39424.35375	71870.3724	55192.599	42262.825	28622.60875	125233.73	171257.3408	15474.641	86008.0965	75426.83	29376.97875	96589.51467	38697.85733	72350.15375	76705.07625	63370.6724	80103.15125	97988.215	76449.36	81919.8612	29760.052	75708.11733	76215.02625	42612.2952	90637.4952	62119.63467	81118.68	65002.784	61825.325	33746.80133	65338.7775	36321.51467	44834.47875	35000.90125	63424.48375	72669.73	76483.68	87539.0952	33286.644	44820.848	54231.2952	140397.9638	69046.6084	42502.848	68085.325	56427.60375	51025.73	72549.36	104542.7612	40957.51467	22931.11333	48319.7504	119590.215	44375.31	61440.15125	47740.325	105456.8912	42777.15125	47901.18	45110.02625	54233.8875	51763.68	32668.02625	148279.9325	98751.83	58035.8925	100720.2964	45607.35375	86805.80625	33805.18125	53544.452	37866.848	57368.61867	35824.53625	25666.0285	65075.6952	74042.8516	62578.68	87882.01625	43150.638	57973.35375	125344.6425	59107.27625	43689.36	56410.848	57492.099	73414.11733	42493.68	28224.768	84119.45067	130648.7763	68804.73	38914.03125	85579.1508	69138.93125	95023.68	51976.6425	68438.77625	55826.784	80116.0275	35945.45067	50031.81625	81018.1425	53785.1825	25307.3505	41735.0724	60365.19067	47145.4775	72516.96375	149873.818	61137.64125	82039.46667	28365.099	50268.9825	41406.13333	73104.52625	98595.8925	62667.78	106935.6925	113100.8952	135914.3192	48944.784	62106.13333	34140.1084	79497.9516	87652.1072	43918.84125	43706.13333	32983.10125	39872.8	31704.0285	130694.3925	100190.7192	69272.0325	52768.11733	77369.2832	89596.0676	142903.7192	52563.22875	65850.2952	69566.47875	90953.3925	54297.45067	126595.1192	76373.83875	72611.3925	61137.64125	65235.318	50918.46375	43288.72875	76892.7192	99958.4976	86697.288	28979.575	51238.784	82495.5508	79489.6425	67867.8	56751.80133	104143.3387	38631.18	76534.73	106238.3925	107956.7192	65172.8	27282.06133	38496.7785	50277.10875	77916.58875	74215.73	22233.099	60383.3925	53649.9288	101994.968	148534.1513	106403.5192	52906.13333	50617.13467	40642.3505	92212.68375	44820.848	43211.715	42129.36	60184.715	31716.10875	43603.785	67258.73	34866.2952	36819.068	108106.1333	91826.53125	104765.4507	130142.0952	106238.3925
C504	D-Galactose	180.0634	C6H12O6	Others	Saccharides	59-23-4	3	211660.6917	218332.5955	241714.2875	198917.1042	149868.9157	494645.8417	212422.1173	186460.455	241931.3867	189234.9983	176729.0727	211338.8603	251785.6133	121037.1167	174882.159	326374.3	174149.9127	199446.4445	170265.6667	226131.0075	149590.8002	522509.9529	167033.9055	296960	119686.392	154382.0585	213191.9143	180907.2708	205592.508	193498.893	228374.6857	219222.6792	294408.9385	278806.6	119983.6167	256015.705	220849.4933	277495.6625	161944.2106	179059.8463	239790.148	212652.297	129414.1493	152521.5467	158595.0377	192239.7017	204672.0787	171902.3542	255395.5943	123509.186	223739.0467	173202.144	224860.7595	187518.3407	191527.764	345886.284	191697.858	183036.083	273760.9423	171585.0347	164826.8207	191068.5363	282229.2	182154.5735	154947.275	230903.856	270746.9357	194045.893	154244.9417	208524.93	220344.9737	201223.11	251157.46	149887.2375	124977.293	167458.8417	135521.5688	184845.907	210201.3705	206419.89	202890.3042	167567.0895	170804.697	182890.689	154850.598	169726.408	192459.066	158328.0925	185466.2244	197160.0167	248100.6407	167406.0635	266570.1765	264488.848	154108.7983	252076.4547	252348.111	261266.8945	249580.975	225757.639	210141.8958	317417.7189	200460.9725	256213.7083	417369.6297	248713.9627	284837.6455	335631.7933	324050.1795	313100.2187	189884.7148	241197.8405	192072.26	302185.6137	196643.3853	210361.0949	295221.341	448010.7475	335509.272	261481.838	429160.7833	352932.3488	435600.634	222451.451	285018.4003	266999.3733	273632.319	235723.956	261474.555	165052.7387	217326.1392	298721.4317	183598.7125	269178.536	239925.945	194432.3383	313657.8593	255243.438	370112.2366	351951.2477	188293.522	233312.076	344342.7753	246323.245	220480.752	377149.89	277864.642	258832.455	289649.3229	245315.939	308055.4863	264499.2387	379539.059	238656.4336	258850.0247	273996.9453	856941.96	238050.441	281617.1545	286605.3551	289137.2938	322790.0867	302359.2075	269433.6653	377071.1731	273897.9833	322414.6129	273153.1638	342072.955	301775.8333	261673.0851	228115.0313	250272.833	302525.3653	263348.61	310268.2959	317687.3906	535997.7404	237057.8925	265131.7345	259626.9612	178941.939	288862.2	442065.7497	320096.805	285204.325	287957.3125	325312.7093	478147.67	340424.7	329835.186	315420.624	308906.0418	240531.2	225445.21	203941.5112	184841.3428	258914.178	220420.3967	265435.3422	182498.1083	212726.12	251642.4167	259404.2922	204116.0085	251755.77	249974.9377	356690.6202	192987.074	254494.1987	257795.65	174243.148	195945.021	214779.2537	243001.8847
C505	D-Galacturonic acid*	194.0326	C6H10O7	Others	Saccharides	685-73-4	3	55127.2315	59482.26375	51043.48	64383.48	63166.67867	97443.48	163747.89	99057.5425	55949.01375	68472.9815	65050.0956	44102.4815	97569.17444	51481.773	56702.345	61975.00833	69648.2615	69856.164	86897.8452	56772.2925	75871.16625	27674.306	43249.59375	64867.79125	28423.48	54832.67617	49461.98013	60242.512	149605.8438	45243.48	68419.15889	65551.5115	64991.4815	39386.29125	90928.41625	138683.2315	66624.59375	44019.29125	43023.31733	94163.17617	38299.9815	58459.4312	27477.345	23203.48	56690.21875	16706.304	80421.348	67283.48	70082.12383	33602.2925	35919.2925	105626.6838	59188.9815	44482.5115	126834.1662	44714.59517	40933.806	71253.5425	67793.34375	44106.17617	84196.67733	49164.5115	80092.88875	66605.16625	40931.344	51658.348	60780.84375	68962.09375	60077.63444	73083.48	137522.7315	74996.65067	126877.344	31039.9485	64963.48	37719.7315	35661.88333	127642.513	51043.48	138689.1813	93824.04125	102659.8087	105429.2925	161957.344	202884.0107	65959.88875	90349.29125	40336.345	76558.96875	45766.5425	78303.48	45021.97125	73108.84533	65384.89	57918.29125	135025.345	77143.34375	78691.8464	37139.4815	81287.89	40603.48	51265.854	79497.845	90349.29125	74278.512	144758.9325	118374.4815	47924.59375	95582.0425	28962.04125	31133.306	112130.1825	39158.96875	57886.67733	41574.013	52846.0452	120115.2315	75406.345	42870.2925	74808.89	100773.5413	43995.711	37475.513	49749.7615	42870.2925	105429.2925	63716.345	66732.2315	172067.0115	60463.31733	72524.012	48579.2615	73538.79	52127.04125	131083.48	67942.84283	77608.54125	64454.5275	40810.6985	85734.7925	45012.345	100923.48	56117.845	98228.67733	60791.84283	59304.1452	75390.21875	60827.0425	79345.91625	50550.0265	36559.2315	82523.7615	146077.89	46414.85	47583.9815	52599.59375	98831.31733	60349.4815	40358.17867	60672.89	59040.345	163665.845	44362.0968	47429.013	61501.6985	137750.1097	59494.89	116603.1387	53363.48	65113.984	129929.0115	55072.773	99349.59375	63251.8272	114014.6773	31937.2956	79504.01375	74793.01375	155211.2912	60242.512	95992.51375	37123.48	32791.513	54937.09375	79852.6452	217500.6773	125362.6956	67793.34375	45686.1825	134858.2637	80092.88875	44682.7315	35719.013	90132.0115	57903.17867	66155.09283	32902.35	55683.48	70932.344	91183.59283	62404.6175	37657.0425	65371.01375	77520.8475	49431.9485	78924.80875	50675.4285	45537.1956	27471.46875	121042.9163	59072.84533	109771.348	52026.345	81818.34375	28107.513
C506	D-Glucoronic acid*	194.0427	C6H10O7	Others	Saccharides	6556-12-3	3	92694.98333	51622.4	63186.096	78931.26275	61482.32	101417.4493	172711.292	80281.069	53104.7475	44334.5815	83266.425	48408.6945	63205.27767	40030.26425	38691.011	61936.875	69590.88125	62831.78475	75056.64	56717.1165	58713.1765	43858.542	42643.0125	50986	32601.01333	33152.0035	78810.1045	68566.0835	156473.4188	51502.84	70277.84683	85412.07967	57914.7525	46126.7486	118171.52	125410.593	85679.89375	54560.3772	35217.17333	61123.1725	54724.07422	51501.68	46855.17733	27149.8	39022.225	45619.552	73670.28533	52300.92	85373.275	24849.864	27377.218	105882.3108	53522.26	65971.2625	131340.141	43076.484	54800.713	79481.4845	78728.241	40741.6735	63186.096	80048.85625	77017.7835	69241.92733	43443.738	67769.2075	60316.889	58730.85625	63410.578	53125.152	175821.7728	75230.34667	130547.56	50464.35133	55812.59275	30756.7315	37593.7184	157272.024	56610.8915	122447.2953	61790.321	96183.4188	76286.628	127164.2675	208060.6493	71506.272	115206.4945	63169.253	72809.61875	48958.005	82121.08325	40648.97625	52323.4635	60007.32	52723.836	118287.603	106996.725	75587.9072	45533.378	45817.132	48626.736	54506.964	68399.359	67072.36	77735.94875	158963.8507	143464.9302	65972.43125	109475.21	43853.6615	26804.569	101015.656	43445.94375	51426.3	42563.885	43246.9602	114367.08	59223.91467	61803.658	69330.012	95374.395	34195.2875	56318.55625	59536.125	47531.759	117623.6635	59949.827	60622.7718	114308.8817	54201.224	59581.65033	44775.6012	63575.41667	39868.12325	151141.8498	76063.964	89746.33333	40872.697	55387.508	67503.3376	57770.5795	87799.8135	69604.598	101273.7075	50304.56	45860.51667	102429.225	67949.57143	88563.651	80104.4475	34751.1725	70396.15	176764.79	92546.9214	55772.1516	47537.5165	100037.0027	60788.74633	42720.48	48250.88	39029.403	129310.9875	47879.902	70531.91425	45799.7608	128088.5567	61662.518	112685.9422	47491.304	63626.93333	87854.455	43138.106	80452.075	54749.75733	141724.16	52407.28533	83909.9765	76430.21867	158606.8	61677.771	80664.0975	38246.93033	51781.392	92920.3	52302.08	204174.1065	128617.2108	52294.55	47374.572	144453.1947	89582.0205	51933.2	36898.494	92464.554	65215.15	30343.28	55119.108	55026.433	58356.74933	70832.36667	68640.797	46478.3586	66884.4225	52013.7375	62021.49275	74660.0155	49845.691	59132.90625	48103.8258	131402.2545	41256.177	91063.2745	33854.781	102170.9563	34820.643
C507	D-Glucosamine 1-phosphate	259.0457	C6H14NO8P	Others	Saccharides	2152-75-2	3	137169.5355	173673.357	97307.808	45333.702	119584.047	63701.55	105234.426	108641.2335	81498.4005	86949.50333	80310.967	132088.173	187497.46	65626.835	64485.8005	174237.7	167738.4885	128016.777	108250.6215	166477.926	159443.5035	166500.425	106451.0187	243462.555	68781.777	155145.636	140442.4615	156316.3365	96925.84	129234.5817	155079.045	69628.6635	166014.18	50805.6765	90665.133	142185.99	201364.812	75815.064	220309.175	98437.415	118801.6875	90109.71667	68743.648	92228.7165	69116.075	80705.2455	100044.363	86756.742	62904.0885	77769.2595	55495.2915	85937.66	62137.9665	126596.734	166086.1785	130135.113	101277.847	58230.711	154684.7665	131212.0117	75092.96167	52222.9345	109985.728	98438.55	69172.389	60184.9065	138464.172	113541.8625	82460.01	54714.0675	161007.087	117808.25	74644.3635	154718.459	104342.2305	100044.363	42207.6705	263175.488	48460.869	206727.9945	173512.3485	159832.98	175074.7965	86366.13	214154.1645	132135.025	263391.7155	128573.874	123827.5885	173902.9605	59010.7995	118234.144	176638.38	200721.728	55861.295	108841.75	130156.7355	145765.2705	74718.46933	275738.6115	76173.255	161013.9135	130213.35	138341.3715	121146.495	63310.938	108641.2335	172882.501	250496.9775	101216.199	106025.282	178512.8	94157.844	120540.55	187123.6565	90274.521	108593.395	89560.42667	105124.59	259914.5945	150065.409	214816.261	200178.528	140837.8895	172339.377	171558.153	280090.6185	203992.575	147168.186	150006.129	123703.06	78729.255	140232.655	127398.558	285734.0417	62920.326	211025.862	65277.806	246196.839	210543.635	81893.8285	164133.1185	150793.75	88924.63667	140294.4315	112940.2365	127386.4405	251668.8135	125390.26	74377.248	100824.4515	168925.922	301188.45	192183.875	196176.9285	118683.576	109985.728	139154.0747	236818.7445	87827.5475	178024.2145	237073.65	131005.7	153892.761	136695.2107	88749.262	166551.055	182377.371	101998.5585	197579.6373	210067.6765	188279.475	134507.593	191012.555	59402.547	134692.768	166947.6325	128446.7947	202820.739	157879.92	155504.608	127007.946	102860.7085	62113.2325	150846.633	175869.5467	163387.631	81232.032	179820.9617	107237.3973	51853.056	66397.78167	233716.5333	80557.804	112636.5717	158662.2795	93400.5525	128962.1415	224704.095	52368.1245	88776.33067	67218.1935	186408.222	128961.006	139838.4427	89844.33	64873.386	60530.371	109980.7115	135935.545	164915.478	121726.7783	94553.272	48823.992	269852.288
C508	D-Glucose	180.0634	C6H12O6	Others	Saccharides	50-99-7	1	182935.416	128706.1875	163185.8172	154946.1	111283.4184	566805.1172	148310.2236	137256.1	194293.6875	158638.6013	133623.8552	114890.9413	117180.4004	79742.3172	113814.8688	210779.5172	117923.7564	135471.7224	101993.9172	104466.3172	101359.416	410490.3675	142142.6808	212633.8172	79916.1	79742.3172	156254.97	93946.1	126638.3675	97596.27467	107801.673	146893.8688	111901.6184	348615.8172	75036.1	193472.7172	173657.0688	167146.1	89721.4236	125368.8324	127356.6184	157622.9172	88080.11625	79550.4312	97363.9564	80739.82	189764.1172	159216.1	152582.3236	77140.0312	196563.2172	131007.639	125666.1	118664.4853	102612.0172	262584.1093	107062.3675	213549.8513	172951.4564	101975.9648	118956.1	130108.8187	230666.0613	117446.4172	116191.416	156412.0184	124575.4564	107674.1175	77029.139	220633.416	107960.639	136480.896	168976.1	136720.164	93073.0205	113119.7172	82228.0184	123287.9236	152506.1	115414.2312	131023.416	92037.27467	67998.4172	98256.639	106146.1	137324.8236	116516.1	94215.6175	72828.2688	73206.1	229976.1	92526.3564	207406.1	128149.3224	104926.1	179823.8663	142543.8675	135989.4172	186704.3513	98510.06133	116309.0312	120342.5564	103982.3663	175686.1	160436.1	178020.2172	158606.1	175974.9564	128551.416	215644.9838	127861.8675	121034.94	93340.65067	98804.94	97045.0236	92134.97625	148969.5172	265470.5564	181110.7172	157490.5248	303176.1	139669.8552	188425.1175	110732.8675	139498.639	123009.3172	126052.3688	124245.5172	178185.7224	105531.03	133495.416	183531.1175	102612.0172	118045.416	124446.1	90235.416	144642.8172	120236.4236	160305.228	163498.4591	88402.47	114974.0172	137274.1564	123627.4172	134704.4678	192854.6172	179881.0688	89066.1	147009.608	175421.7344	195752.44	137649.8675	159088.0459	155150.5172	122616.1	143155.6175	901568.1248	116350.3966	121420.9763	212280.3138	77185.0688	100199.272	111876.7564	106431.1875	230700.7236	146503.3248	140679.536	154074.9375	199035.6172	156269.7248	145026.6688	105084.4172	118655.3565	106696.5004	106303.416	132755.8675	86059.6236	283235.536	90912.2208	122641.2263	110143.6875	98846.35125	124979.536	195930.0564	147626.1	120786.1	126354.6688	114403.3675	268880.9172	176994.3236	269781.1875	144071.3196	119139.723	117814.5248	166249.416	112501.6172	114355.9172	86643.85125	123049.1196	108157.416	100721.915	98932.0384	149530.8236	98348.922	133052.7236	160095.3172	100172.0196	205554.1175	113690.8564	198295.5324	122006.1	128572.2172	160857.4564	155415.1564	130017.7564
C509	"D-Glucose 1,6-bisphosphate"	339.996	C6H14O12P2	Others	Saccharides	10139-18-1	3	35818.6985	58190.625	28395.2585	34845.328	47068.92267	46712.718	52083.32	54491.021	27259.875	16226.535	25580.936	38165.7665	29029.15167	34600.5682	17756.9795	22185.19333	38215.188	20895.306	36971.90467	32654.73	37278.30167	44372.219	46844.424	63573.24533	37595.86133	27196.38133	38589.75	36056.08067	23424.476	30259.23467	27565.875	23584.5	24121.222	47165.625	54404.42667	47971.89367	41605.528	30624.9296	33001.08933	32975.4645	25726.4256	21510.3385	20653.34	24452.80267	43777.9095	21889.13567	27564.3488	28396.38	21441.375	32695.81467	29708.2176	76996.556	29909.401	32668.388	27806.93067	25057.214	19595.537	53101.77	15622.875	26563.849	44013.024	23116.572	26592.60533	24140.26767	25974.16033	30871.088	31547.25	34210.172	51333.282	19252.506	25057.214	34913.792	23613.0354	42777.735	63266.75733	20693.59833	31652.7426	27119.0598	41860.78867	29029.15167	33075.8688	36028.1875	31168.319	35603.27167	25331.237	25011.44167	42568.056	76837.085	64099.5	47054.94733	42178.58667	45308.354	54519.75	41469.12	53102.891	31436.772	29578.37167	21777.8176	25026.325	14423.346	40177.566	16871.5905	25716.1905	35750.806	18994.5	31481.81867	29640.82333	31546.125	50111.061	64489.34133	35441.788	63246.85033	28791	28795.5	16948.97167	41956.1648	39623.583	115713.299	25668.88567	37588.30833	56221.04367	56583.4112	33438.55975	34456.8	34233.47467	58664.36333	34825.98	24497.48933	43454.084	36444.6448	40345.272	33902.268	47546.2845	31857.75	51332.15967	28396.38	28418.60233	40681.816	59112	27564.3488	23113.6196	36756	28165.3515	26280.55733	27563.224	18684	58496.625	25637.27	62637.42333	38523.092	29401.1472	45328.5	43777.9095	34833.85967	29713.5	42222.468	43310.13275	37234.015	40944.96467	37416.6975	34198.96667	27737.396	48399.32367	21124.857	23280.75	27196.38133	20029.36833	42516.71667	34611.75	58489.6	32361.616	45629.7616	38267.8595	32084.143	39429.176	64315.125	37060.875	47100.7918	36436.95067	24804.1776	23834.993	21398.02667	52985.25	32053.712	15892.24	26345.25	30511.928	19786.0875	22359.375	28121.67733	50233.632	43083.00967	26811.2102	28356.6	28113.32767	14961.9315	22918.04667	25732.125	35454.936	18994.5	45920.082	21745.7584	30820.964	38470.8145	33981.2655	20214.9056	35750.806	27873	46227.484	21084.154	22042.449	27501.656	45612.808	39756.972	24196.5
C510	D-Glucose 6-phosphate*	260.0297	C6H13O9P	Others	Saccharides	56-73-5	1	4026382.505	5102245.554	3947634.55	4688903.403	4092438.428	6170448.275	5378142.171	5417675.59	3917905.53	2336684.415	4834083.402	4424683.14	3344176.333	3328314.322	3019847.4	4504366.926	4219165.982	2628973.674	4068688.138	3700067.431	5800720.423	4840342.469	3246384.716	5564481.128	5441805.19	4913369.235	4690917.03	4725144.645	4585968.479	4320828.748	4619734.35	2687106.855	4331792.177	5597199.785	4444441.535	4566165.77	6206135.494	3514445.194	4289093.73	6267981.215	4448592.238	3417449.137	4960149.501	3523124.965	3449328.796	4177487.338	5007631.198	3753435.828	3451096.94	4195695.742	3135019.35	5190046.175	3829757.113	3323075.136	4435972.183	3472958.933	3598605.24	4963060.291	2679168.45	4787383.392	4721308.13	3243905.544	2758058.7	4227875.099	3714411.455	3747942.687	3268209.014	4466966.436	5813594.266	4744426.755	3492955.594	4062394.943	2841632.855	6107214.717	5313452.17	4879063.688	3120045.984	4304378.767	5355286.063	4895831.86	5769149.72	3314403.925	3259784.428	3490923.602	5040532.512	5554948.075	5053663.27	6613741.748	4723545.832	4945606.602	3127687.435	5149641.546	7199571.145	4858134.054	4286153.873	6129293.809	5448433.473	5295830.326	4423676.597	4676639.936	6763574.084	5635585.713	4818003.051	6051943.196	4418639.315	3068190.605	5019146.455	7781568.214	7307620.798	5840468.003	6103342.085	4638419.755	4804473.749	6817005.02	5909781.229	4214422.01	4944388.11	8414177.934	3686264.825	6202648.822	5599544.452	6316753.161	5263394.943	5556748.05	6743458.868	5457989.551	5761006.008	4085565.148	5590009.19	5480094.408	5828945.885	4333134.224	5934739.208	6095609.955	8111518.767	4317485.793	7024002.027	5556145.58	7091560.06	4443864.492	5628269.578	4162902.711	4965635.477	5329128.413	7058228.894	2888574.885	6924495.879	6379545.198	5813274.213	5978977.602	7006257.86	5149708.468	5326619.023	5242584.037	5979624.077	6335879.125	3756019.239	5919810.68	5715137.077	6514031.901	6689260.843	3757080.982	5243989.792	4869044.565	5158244.556	5634715.038	4480054.493	4538369.42	3343075.223	6879540.159	5494750.636	6234203.818	4988017.454	6715775.114	4099227.163	3706509.327	5634545.22	6232308.594	4859279.914	4039111.098	4232301.935	3824654.708	3880222.643	3628419.732	2704170.617	3746298.63	5552646.225	2305001.502	5922785.618	4010934.299	6148153.43	4163540.773	4227907.913	4249910.737	4131303.993	4992302.41	5443673.502	6002313.405	3369219.933	2515003.53	5318380.244	4788888.142	4817839.5	4508679.849	5613091.614	2642315.524	3250698.647	4306194.422	4621598.725	3679144.973	3937883.395	4432853.158	5538358.914	4091469.212	2907337.873
C511	"D-Glucurono-6,3-lactone"	176.0321	C6H8O6	Others	Saccharides	32449-92-6	2	101353.9644	74099.5475	184462.9575	189125.7524	287190.8248	68090.5524	209654.858	134948.304	63865.67657	45389.8512	110039.5568	122418.8524	158354.0828	96440.0775	208320.9998	129188.2644	335721.358	228580.9396	155428.4524	266935.0775	330322.8236	67568.858	37670.23125	116526.2248	114149.8512	123821.293	90540.3568	199441.2524	114930.858	165056.2524	59033.14725	74533.858	51394.9644	111420.304	142034.8644	240668.2512	138611.858	114166.4524	103393.5396	205630.5524	111415.6524	66178.038	172740.358	119890.7827	84150.8136	103090.358	133782.9675	22702.3524	150911.2975	57315.20362	100874.68	145064.102	165768.87	136430.162	212003.2087	61008.8248	114905.6738	53878.12125	96566.8	129277.0512	101402.6	70713.79875	70029.865	73132.08375	69484.44933	55548.9675	53432.0136	227126.8	128033.448	197056.4675	164452.6	120203.872	23408.84	51698.03733	90280.23333	182938.7248	83266.602	192187.66	213977.5248	299845.4524	171602.6	155696.9	136607.602	200799.926	233824.926	81797.66	120665.6215	158920.6124	167582.66	165712.8337	55945.602	156277.66	158724.602	158391.662	57897.102	218787.66	179619.3124	127141.7625	143731.616	140061.0488	95513.56667	180882.66	107067.66	212634.4575	216633.7524	64035.116	191841.2075	249765.2136	125760.19	82631.9675	97757.66	159674.9588	39208.158	71289.8248	96427.66	109006.9272	103302.2075	117309.332	92570.2075	87710.67375	155885.926	55977.33067	169629.2136	142228.1124	52265.8512	66410.9575	63837.74975	179889.2625	144416.162	156942.66	66367.75067	68304.5628	72080.2175	91962.94933	88772.69	91256.4675	97244.469	21516.776	110392.66	45396.4524	106572.858	210942.7175	74533.858	109538.688	234032.69	51908.304	67954.077	101085.4512	67925.19	80790.7568	96170.19	155018.2988	89160.358	57165.19	38390.6248	113712.2133	62512.66	83631.96875	73032.13575	155018.2988	72247.81113	125103.7988	100318.7592	202689.858	80585.372	97092.66	130950.358	102649.0475	42503.0248	108397.66	78175.3285	91166.4248	45977.358	129122.69	105295.7368	51690.2136	210088.1738	49984.248	134314.5076	96141.21625	122876.3012	122996.4675	50644.55314	62767.98171	41275.538	124415.19	227364.212	93098.98125	154562.688	118150.6012	52934.7568	52943.9705	150939.0488	110751.858	110965.19	143495.2175	106850.688	182027.4278	75938.688	154119.692	121582.1844	67451.8584	122876.3012	35768.6524	81132.66	46689.2175	32021.5368	114246.8	96125.358	98020.4248	50532.1392	98006.1236	73460.30125	86990.87587	37188.81337
C512	Dihydroxyacetone phosphate	169.998	C3H7O6P	Others	Saccharides	57-04-5	3	158422.2155	153862.875	133827.5792	139768.7728	97250.7445	119132.0672	116631.186	108948.588	74295.40525	62301.8016	104642.9215	153836.6464	106324.0235	99729.528	71108.7304	114479.0145	109176.8234	45804.6865	96913.813	75588.237	108857.367	151019.4694	128844	253890.9808	118467.4095	95054.6835	105734.46	136860.0095	212653.125	135702.6208	77411.82	87565.5	210903.2683	191968.4415	65880.7015	139977.7795	231104.25	91969.729	92525.526	169362.7358	113223.2723	115444.4215	111396.724	85957.845	222248.429	111714.816	76528.06925	44372.136	68919.556	71473.1328	232628.8864	318847.0437	95032.4975	99108.3306	104151.522	97229.20025	70486.041	155400.1184	60702.99325	134549.4538	118506.6784	80617.378	105093.8195	76922.8224	125698.6496	173203.8907	128391.711	99755.236	118581.6515	89075.3375	90724.72283	146468.2867	105817.752	217034.683	121322.0528	112253.9152	126350.1285	113361.948	128825.5936	121925.7582	91618.3344	128221.875	79575.1475	140664.0555	107679.1075	90947.144	112879.304	167695.4106	177593.828	159778.9648	221031.949	171813.828	196328.46	129563.085	287393.625	209580.6136	150937.482	59497.5744	93806.0704	120303.869	271053.34	90038.501	103154.883	134765.6624	94761	107564.624	161967.8256	105394.2317	178225.6848	236380.0944	175087.936	233566.9696	166480.4412	131973.75	87828.33833	100998.0416	220747.624	380466.363	94491.067	158766.657	196895.48	254899.914	129672.0237	134655.051	131638.7184	191947.8526	85511.311	82667.6224	302268.9735	144146.4944	114843.54	191075.625	210742.528	107583.75	178224.56	136069.4453	170140.896	188559.1275	298657.693	146334.2304	95020.269	102578.625	112533.213	105069.4095	119757.456	145107	204224.12	173881.673	122832.2875	106495.903	134467.879	110140.204	79670.04875	159639.4773	100702.125	169138.696	135805.196	105063.0688	90956.13025	178077.276	174301.7272	98813.412	135313.62	136214.19	91290.0075	109405.9785	69534.3966	215372.1115	115609.0628	148210.3968	122074.8162	147585.008	186546.1967	90015.16975	104435.4304	159490.125	103532.72	207350.1687	90478.908	91972.408	77783.8115	137484.685	133109.616	85947.40667	49243.5995	83817	111083.16	111891.033	146020.4112	109172.2185	188516.3955	120717	56321.7634	76154.168	99445.677	131698.904	75589.36525	84997.842	144483.75	58485.375	156395.988	112941.5257	109962.468	129786.75	236164.1617	76843.97925	95974.58625	123672.132	92315.1315	97542.85375	108518.4697	91603.7305	133401.8706	96593.471	91872.7332
C513	DL-Xylose	150.0528	C5H10O5	Others	Saccharides	25990-60-7	3	103037.5646	164178.0236	89631.9172	138991.7705	88410.0184	99195.5205	126480.214	122125.2148	58596.1236	82052.5205	126376.3999	56189.88267	120935.3366	60567.43	94356.0576	87321.96483	62580.651	105571.9224	72921.8312	62288.04817	80379.46	102201.5564	189379.2911	83501.90556	73683.82	68756.28988	95251.67	141683.216	149915.0249	74093.2705	75684.5236	77408.8564	109317.8827	107270.0312	123940.047	145400.1282	86413.94667	95535.48667	101927.4236	130691.216	92235.6336	106320.6172	64699.4552	78163.21483	110667.3564	119884.8565	62075.0312	92089.416	70362.00889	82563.4312	96134.2705	81974.4324	95259.54817	98573.3564	85406.1	105736.7196	67733.6564	95259.54817	109127.5589	62288.04817	90973.047	114900.2564	104368.6236	62435.5172	80755.6312	201528.5493	72492.651	77467.1065	94979.1717	101244.0312	151887.6324	73865.7248	101846.6312	48831.3236	77140.0312	84371.2312	87944.54933	86669.9236	85490.21483	133817.554	66304.2324	51246.1	75720.8815	55446.4312	66293.2312	136749.9375	66144.1172	65056.81867	73780.6564	62677.6312	77154.5205	144530.5564	95233.8324	129595.214	117836.3122	87069.6552	120947.2564	119300.7172	118136.4324	85449.3236	113898.6312	104015.6564	91906.4552	71032.0205	93694.83412	94038.3815	130190.4324	122958.6065	84914.26333	97795.223	80432.3564	76537.4312	70245.266	65332.047	101593.0052	94044.0336	186236.4648	137274.1564	97091.29817	68372.1248	112090.8312	75582.52488	130017.7564	120342.5564	61482.6324	115408.7982	97143.83667	84280.54933	96418.9224	106327.1238	88381.416	111893.1065	93958.6172	96480.71483	92206.6315	83166.0312	85901.36	108030.4236	126261.8738	103086.0336	86465.0552	74797.5172	87688.7564	69908.8312	74127.0312	117240.5482	173556.1564	115408.7982	82832.8172	85575.3344	115592.1172	145065.9467	134397.1222	63671.7172	56245.416	81785.151	95229.7248	40802.0172	90199.66488	81624.214	79307.151	87674.2552	83625.941	72902.214	84839.0236	168477.7248	77263.214	58604.5405	100757.7172	123123.9364	125150.151	46364.9172	167259.2749	86962.1004	122108.547	79311.3565	75074.2236	120441.01	94631.1324	80166.3324	87600.5405	133203.9324	62179.536	122156.6564	97358.7705	117146.9056	157967.7124	86121.651	111883.5172	113106.36	146401.5254	89042.6196	62878.5248	65320.1248	66751.416	76805.48667	122391.2172	63682.0184	90897.5196	156763.0216	70399.542	79438.554	78736.0236	68660.922	110471.6236	126766.9763	83477.9196	100212.8565	107225.9467	104093.5205	81596.6172	60464.54933	119586.7146	118528.4564	69716.2688
C514	D-Maltose	342.1162	C12H22O11	Others	Saccharides	69-79-4	1	1220252.927	1609398.739	1443171.556	1255103.608	1417499.396	1528191.826	1196948.016	1760307.998	1698332.328	1168355.777	940921.9188	1291691.194	1302294.24	1395851.432	890680.2747	1573830.282	1173394.295	952471.223	795493.3837	1286548.258	1751724.55	1822120.235	769779.792	1405095.634	968667.2575	854325.6338	1739230.442	1353728.419	915926.277	837238.777	957721.3055	1440183.949	817094.777	2169767.795	977617.277	1434731.22	878785.777	758551.277	832224.9375	1596690.239	1503455.074	989577.777	897943.5255	692849.8837	731322.2747	1204388.276	1592924.98	900188.777	1057232.865	2260107.429	1213197.775	1422751.835	885358.5255	1552226.136	1674989.967	1642971.813	1453402.636	1281262.897	1551459.405	859271.277	1348755.369	1334927.772	1342920.848	1057773.025	1449085.079	2092336.818	773732.44	939847.277	1621529.05	1550889.078	1227914.031	1162788.9	866195.777	969432.518	868084.277	1192217.322	1689180.156	843888.807	738743.2755	1882560.96	1469764.154	698119.277	533580.476	1233634.927	1731597.125	1525390.141	1257744.777	1299317.425	692482.56	2031295.769	1604647.119	1657838.065	1071412.777	780765.5555	1125102.776	860188.5255	1625855.27	1321324.277	2039523.345	1354242.075	2094388.047	1006529.94	2237419.86	871861.277	1073301.277	1614822.357	1212498.835	1982156.848	1236447.305	2394938.512	1377401.396	1168678.338	2011674.482	1243223.068	1410351.372	1166300.779	1786051.393	1199807.44	1984571.439	810260.307	2453982.368	911573.139	1665586.496	1325654.73	2289529.27	999882.0255	1249807.272	1941527.821	1875678.444	1244226.6	1711652.047	2013187.583	1247672.777	1054626.775	1290604.335	1439908.228	1312425.665	1779533.821	1199471.176	1774350.618	965273.2755	945137.2755	912298.608	1267276.592	1278398.757	1617122.55	1191959.509	1483659.508	1982547.3	1138296.807	1407249.666	1367907.277	807724.865	1159521.008	1628041.857	1960871.097	1611503.3	630512.2755	1517646.442	1637485.74	1202287.839	785307.7755	1514224.48	1707366.126	1803271.039	2128673.649	1427732.268	1211374.848	625975.2785	2002681.906	1174023.795	1299689.008	1560284.995	853241.756	954505.0907	1732639.577	1179392.016	2916604.436	1344653.547	1771482.245	1696998.303	1907960.373	1239816.807	1563373.794	1051268.777	2087417.685	1112959.777	1882672.089	4181139.989	1951886.287	1016472.807	1492666.623	1535531.778	1988355.492	1173133.428	2019461.18	1431594.09	891375.777	1258978.567	1500641.129	735620.2215	757048.948	1643802.539	988318.777	1600962.421	1277673.488	1024200.277	1493153.856	1711455.643	1885710.056	1578663.659	2211660.12	1100562.025	2583464.794	1481922.195
C515	D-Mannitol	182.079	C6H14O6	Others	Saccharides	69-65-8	3	60519.94	56293.56133	48806.1	60396.1	23482.60933	59786.1	99645.06375	90372.139	42221.39467	NA	NA	NA	41593.3665	40266.1	45794.82	27456.1	38564.82	47087.946	NA	46976.1	88437.97375	NA	12266.13	56126.1	46704.139	23404.8	18805.139	37826.1	63628.1175	NA	23518.6875	NA	68340.10125	20746.1	55516.1	117150.1013	58122.3675	69234.6172	46504.228	63459.10125	NA	68326.1	13953.139	NA	39777.99375	143767.3675	NA	59440.639	49449.618	32148.139	117126.1	73825.30133	112206.139	94827.3675	100046.1	NA	74027.8675	104337.4763	13953.139	NA	99469.639	47589.152	50052.618	74426.1	NA	108608.3513	37498.6564	42828.6175	61616.1	179956.1	43065.139	52636.896	51856.1	58129.06133	32946.1	46082.0445	10100.376	17998.223	125056.1	97811.145	47310.639	50035.94133	43065.139	52466.1	59416.1375	NA	84186.1	154804.4853	56021.81867	55516.1	30935.139	101827.32	46366.1	78909.89333	49416.1	51805.48533	96050.8675	105557.7263	10100.376	55069.89467	131156.1	NA	84933.81867	27203.8172	13426.1	23657.139	70156.1	117462.1175	19411.639	78808.98375	81881.139	40142.44	43365.564	95717.44	59964.56133	NA	NA	79533.6175	59465.1405	105214.9388	128106.1	78308.152	13256.152	44755.0564	68340.10125	21837.639	47120.49375	13953.139	54458.06133	81378.728	23476.27467	34454.376	NA	56724.47375	40032.639	34574.139	54906.1	NA	78319.56133	21647.9196	NA	43926.1	30121.48533	29652.94133	77888.0172	98826.1	123579.6175	37000.139	70357.639	101665.6987	64842.44	47722.6175	19867.7245	75051.47625	63446.1	68522.1175	42124.9248	34002.9172	31122.47625	78138.5248	27534.8675	32422.24125	121744.3675	32799.9375	49441.77875	64527.03	NA	33771.618	138504.4763	11630.448	71580.8675	88474.22625	56898.8675	44924.256	47586.1	NA	34751.723	120794.9218	NA	55527.47625	14275.223	45136.0184	NA	33652.3675	36393.639	36606.1	52004.8675	74027.8675	119566.1	14077.06133	69306.1875	73206.1	57561.56375	28558.2245	48523.639	47586.1	68936.1	33367.94267	51285.10933	42706.1	46194.415	33347.3875	86232.618	51556.139	48846.618	61018.60125	NA	112568.1175	16267.81867	103117.2262	NA	69546.1	101596.8564	75863.1175	NA
C516	D-Mannose	180.0634	C6H12O6	Others	Saccharides	3458-28-4	3	170575.416	117568.6875	162567.7172	118064.5172	88938.28988	626142.7172	106784.5372	94556.1	186148.8236	103117.2263	99161.6552	111883.5172	132597.9004	79306.1	88402.47	205834.7172	90107.5564	112618.6875	79124.2172	92722.4172	62425.416	383387.0564	134038.4808	186673.6172	71695.416	82832.8172	189883.0564	77269.9172	110172.2688	87846.1	90942.0236	120753.0688	81609.8184	206796.1	65886.1	151927.2263	119297.3675	163185.8172	102537.7236	80542.60125	117465.4184	161656.1	64226.74125	68616.5172	93367.4688	77086.6175	140934.2172	121396.1	149743.6875	71088.9172	123009.3172	108608.3513	117446.4172	92992.1175	94576.7172	235579.7196	110812.47	113489.3513	148661.3675	67380.3172	103706.1	85536.152	185390.3947	95194.8172	106921.416	134843.7263	88293.4564	82786.6688	84796.1	192823.416	135453.8513	114152.1248	139696.1	108640.7236	86016.1	102486.1	54359.608	67449.9375	95125.608	113829.8232	89676.1	82772.27467	72057.3815	69546.1	79916.1	134274.9375	74729.6312	75251.3675	70757.1564	50636.1	170196.1	84427.6175	155150.5172	100937.214	81136.1	121719.4913	84933.81867	127336.0172	164448.6184	99486.2236	102612.0172	73489.48533	114991.6163	104390.608	102612.0172	160598.2747	124225.416	137274.1564	119899.416	166464.6256	106450.6175	121773.1172	69253.984	99505.416	91552.3236	69234.6172	126099.8172	192301.8564	138461.8172	147298.4388	200086.1	94929.4552	171167.4688	94215.6175	122031.1013	79742.3172	138202.47	130426.5172	131810.5224	90618.12275	110629.416	165178.6175	88456.1	108775.416	110647.3172	64056.1	144024.7172	113675.536	159295.6236	125522.3196	79107.98175	89013.8172	113906.6688	107556.8172	97368.70912	189764.1172	99109.6175	103848.2172	160095.3172	110963.8237	124245.5172	109088.1068	107668.6875	113119.7172	117427.416	126977.0688	1142065.725	79124.2172	128593.0184	145892.9248	102703.4688	94597.0676	104575.8754	113856.1875	166399.5288	149555.3248	119327.536	132442.4236	174311.6172	122697.7248	102168.3675	87159.5172	107682.6688	107709.2741	83437.416	113284.2688	105511.536	234259.214	78544.2208	90250.0172	115712.4375	87173.6184	130003.536	140669.8688	173693.5172	88999.416	101458.6688	118885.8688	175547.8172	133656.1875	236193.4236	134796.8196	138015.3138	79148.1372	130519.3487	106938.7172	84069.0172	82060.89663	87187.7196	86527.416	77941.542	92840.1075	135831.8947	94019.422	86671.536	126099.8172	102277.6478	146826.1175	83204.1175	134093.7705	110029.2172	110029.2172	86534.97	122356.1175	105225.0564
C517	DMelezitose O-rhamnoside	650.2269	C24H42O20	Others	Saccharides	-	3	71446.79817	13076.42	50026.1	19025.21667	59936.80875	105604.4325	44112.625	42189.2312	38630.0115	36643.54817	49463.58375	23213.88267	54115.2144	25492.13333	58159.893	41528.21483	59593.45875	34441.20717	79501.4325	91183.59283	77144.68375	82236.70875	21492.55222	65263.4325	29075.1825	37628.91222	19633.59667	128726.3428	58751.22517	46407.4312	84994.42133	35973.39183	24966.88333	39753.6825	31591.92617	122241.1838	178768.4588	44106.17617	28663.164	54250.2324	25614.71111	35608.43375	7957.24125	14662.54817	49167.393	30054.70667	70511.4312	59924.1825	19116.93667	14246.93375	15256.1	34963.8324	72991.05875	12852.8675	87825.43375	36653.5505	29338.47	35172.344	40768.72517	37977.3324	55178.1825	29108.376	36857.5405	61379.175	33071.543	34421.68375	70747.878	69127.45875	29674.68375	12218.547	38152.344	54383.45833	33379.67617	110663.013	98485.4325	43510.2595	57563.30875	50658.03	38567.1825	36981.01533	56620.42617	23249.09283	40948.80875	30261.6825	35763.34283	65309.4236	51853.09283	40768.72517	12879.0115	28676.1	34811.79817	23988.393	69430.80875	14041.9224	97912.80875	34774.5585	55754.14183	56058.3324	20160.54933	15264.8236	54229.175	20987.97517	36887.8552	91779.5095	27894.55875	52518.71483	41593.5324	59593.45875	95355.0095	63483.6825	44150.3564	43970.54817	48015.06783	30261.6825	59452.378	15885.88267	78163.21483	69475.3565	46882.55875	128801.7248	28091.547	34566.70875	71338.97517	29032.8564	69317.7324	77140.0312	51723.878	53136.54933	49543.2905	39201.03	49465.79817	29516.6065	82233.34167	75083.34167	122808.6825	27726.8312	61677.46483	36857.5405	87766.164	37025.58	38644.878	58624.54817	50965.893	78345.2312	86781.6312	78073.42617	49463.58375	33676.2945	64931.41222	49001.849	47023.46483	64145.97517	222945.9583	83179.8324	106293.543	37172.22517	51966.79167	151862.4312	73288.54933	96675.125	57221.96	70140.14183	54562.893	40407.03	44106.5405	25081.164	51163.38111	148720.513	102066.4338	72508.45833	80330.22517	37254.1315	35973.39183	22482.915	29668.4325	30242.2564	58604.5405	74310.70717	54003.05875	18326.04817	20147.2236	32171.35778	31442.49222	30578.64183	41528.21483	41522.547	34175.14183	11872.374	84037.94583	19187.4375	19943.20717	28334.1324	37392.03	74175.03	42749.3815	32187.84283	13218.0255	69740.344	38242.63667	24890.02444	45220.004	31373.6384	10257.03	24632.13867	24484.164	74499.71483	31004.6785	34774.5585	13533.1065	65951.54817	39696.46483	108655.543	92318.5585	81415.854	39929.58375
C518	D-Panthenol	205.1314	C9H19NO4	Others	Saccharides	81-13-0	3	18674.8884	33755.625	3424.9215	16314.49875	21938.24875	31897.695	23850.2124	7409.195	10693.125	43458.7175	4535.197333	7880.625	3422.695	10690.74875	26196.94375	5638.381	31114.7872	11993.6496	13104.195	6762.3795	21672.9215	20251.12375	26999.62375	39647.864	10175.65	51822.3795	32623.37375	6755.625	14630.625	13505.625	6229.4884	5699.44375	22216.195	18799.195	30085.445	6709.0485	6742.3356	57622.89875	16321.75125	19693.125	109668.7487	6233.924	9625.80625	22098.032	9155.71875	10131.75	10141.8795	3991.31875	9635.032	6739.881111	15723.1356	20255.625	37592.695	30089.6112	7888.8795	11232.8575	12379.5	49788.3884	16433.032	3936.66	9088.4112	33994.532	16740.6936	12916.6356	21943.125	252568.125	12943.125	45568.125	10753.1872	11303.14875	21943.125	9056.3872	2818.378	10175.65	100117.9872	11331.19733	16014.7175	8452.1295	10713.262	11815.49875	19254.7585	76297.52625	10743.02625	11184.472	31435.6125	19806.2884	31498.62375	8522.3124	13101.31875	37349.5896	12943.125	55226.381	11855.39833	16959.40125	62222.7872	17856.2936	22780.69375	182777.4988	187318.125	112465.5262	185068.125	94946.65125	89860.52625	91231.88125	78738.12375	72969.1872	72568.125	58903.19733	89860.52625	60742.12375	202320.4013	85643.5608	58018.1295	131278.9608	42746.12375	77068.125	83821.864	46900.65	149663.8762	169880.625	142618.9228	56518.15125	66240.1356	159265.1475	45005.625	59617.37375	15755.625	140286.0088	74499.90067	88710.65	110231.1238	195712.1238	28382.945	50068.125	36327.945	113491.2772	100130.625	107443.125	59630.625	124373.3775	85486.62375	279005.625	91110.37375	188401.2487	101818.125	59500.3575	100130.625	158896.195	41588.32125	130117.7884	65073.7896	33340.65	133316.1488	63206.31875	147841.3995	198612.2512	181852.8575	108918.3368	346505.625	77068.125	148994.032	83189.28375	79183.57125	65627.9884	130991.2375	57393.37625	29983.5872	119282.1263	72293.6475	17037.8124	110255.625	131068.125	61886.1124	166723.8587	61304.49875	21406.8795	112390.8975	135865.5368	223930.3762	119023.5368	83715.5872	179715.4013	70933.54125	183380.625	97339.75125	39610.4936	87193.125	64556.2356	61657.1872	59617.37375	57531.085	226246.7872	144285.7896	37693.125	60742.12375	88821.6884	38743.3368	80987.62375	105193.125	20910.65	43557.9872	117568.125	137225.0688	67357.8575	77862.89833	80350.3896	28686.74875	35550.39833	122413.9805	45005.625	72551.99875	135537.9987	63930.8884	47164.3368	106341.7513
C519	D-Pinitol	194.079	C7H14O6	Others	Saccharides	10284-63-6	3	6386.2315	20616.51375	NA	10430.04125	10934.13556	11539.85667	7490.304	11668.162	13738.164	8274.0445	8805.711	5805.9815	5853.012	9541.675	9957.013	NA	7475.1985	8049.9485	11487.92667	6878.292	10447.9815	NA	17810.21889	12522.59283	6436.010667	4698.348	7019.845	7546.7315	15593.22517	NA	7029.513	11397.3085	17321.7993	17070.40667	9271.79125	10093.30875	8410.454	12522.59283	4026.6985	7755.2595	10737.84517	7126.43375	17792.48444	17321.7993	7752.33375	8782.2615	19077.67617	11330.7595	12645.86556	17357.4485	4111.348	10447.9815	8707.2315	10538.0115	11873.43375	NA	9418.04	6966.4815	9506.376	12466.80875	7052.2452	6920.306	9371.513	10913.76	8904.6825	6383.48	6920.306	8771.46875	8126.9815	18396.6825	16224.7925	16497.89	5680.9065	8962.164	5803.48	10522.1493	8115.2925	16126.164	11749.0452	10447.9815	7004.162	9543.0095	9273.7925	13904.79125	NA	10016.76375	13714.42617	7604.345	7026.5115	10447.9815	5803.48	10733.96	18481.7595	9802.806	6376.16625	14618.345	19874.59375	8126.9815	11028.2315	14198.2775	5803.48	11713.513	5753.45	8947.092833	17958.66625	12183.48	13904.79125	9802.806	NA	5803.48	13606.9956	9850.91625	11736.54317	14243.9325	8365.164	7457.794	6386.2315	9392.211	12170.0425	11947.164	15502.17617	8782.2615	16983.013	6343.806	3484.9815	10246.3929	8944.08375	12923.2452	6325.6985	7475.1985	12466.80875	10059.1956	NA	6955.29125	12969.5229	15063.04125	15674.8312	NA	10542.513	14487.0425	9357.845	12286.17867	12597.893	13360.02333	7543.48	12167.41625	17990.89183	NA	NA	8819.7765	10686.68375	8187.09375	12303.4296	8227.35	11643.7705	17154.7956	19438.76375	9853.0425	NA	19690.28509	NA	10353.45	6444.013	14055.513	9802.806	10379.306	13470.013	NA	12183.48	9468.2775	14789.5956	8445.0324	11693.34375	9402.35	15502.17617	7026.5115	14506.45717	NA	10531.67867	NA	13605.10967	12466.80875	7134.753333	7615.013	13118.5095	13343.48	16952.71875	23998.7615	11742.348	9802.806	13550.01375	11742.348	9773.7248	11123.2615	12686.15829	8692.66625	8777.178667	7126.43375	10140.344	9283.48	10730.786	20882.93317	14138.88875	5234.7375	NA	8123.48	11229.46333	18189.711	8944.08375	10686.68375	14662.54817	15502.17617	19980.1269	10542.513	7102.6956
C520	D-Saccharic acid	210.0376	C6H10O8	Others	Saccharides	87-73-0	1	73818.626	101276.6975	190706.0895	111377.7885	94264.23	109031.8455	58157.803	51977.5125	113146.4345	87890.995	202947.6735	93792.3	101570.0833	138669.76	118288.148	67444.392	130947.5915	54201.224	93792.3	90666.2685	122710.0785	119869.86	204133.9575	167649.762	172339.377	69762.55575	242112.288	254404.233	52618.3625	139513.2075	166947.6325	51035.501	141795.55	85975.518	137168.4	91797.665	115915.58	133651.7565	94141.44	117969.63	164915.478	105906.9495	151980.55	128962.1415	57222.96533	227474.555	95745.36	112159.0125	121057.2935	166868.538	111057.6133	101171.63	60574.383	59342.9375	61391.883	98871.3915	122640.155	86756.742	123036.7325	66799.29	83614.452	78728.1055	221539.648	126171.14	94574.6595	143812.2105	88618.4035	81893.8285	109423.593	188362.4175	56276.5155	47475.4995	76597.4235	263098.626	96527.7195	151627.857	121927.719	168135.066	76206.8115	84966.29	79723.455	125135.406	141076.791	94964.136	235255.161	164178.487	148891.302	118683.576	72002.381	215716.6125	66827.5815	169396.15	103951.6185	162270.75	100000.31	51221.28	117497.292	91447.4925	90666.2685	170111.0565	198824.76	136882.46	158313.6	93792.3	113722.596	80504.679	101217.3345	146771.6085	76988.0355	77770.395	146772.758	183199.215	167739.638	76597.4235	175256.2185	123881.9145	169530.41	119872.159	85976.6535	113936.141	116456.88	74376.0985	119475.5815	136090.4545	116848.6275	59402.547	63299.5165	84022.458	64091.522	279681.025	163742.5065	67651.5235	120702.71	85584.906	90505.89167	73862.004	135604.8165	263870.024	127662.6987	178512.8	272178.61	182983.4717	80345.9	90274.521	63797.4365	125445.498	151520.193	81676.515	62891.485	106419.5605	78881.472	85453.83	254091.35	205114.1517	241117.7475	109191.005	121769.9947	125054.886	168041.5095	181189.9375	78431.168	186412.7	176122.5	119079.004	167334.304	168252.678	134113.3145	119871.0095	163741.371	111951.104	93365.8385	159373.295	287210.6215	179294.815	80923.45275	66068.662	214025.405	153958.55	133652.892	147720.6015	166106.78	168430.986	101673.275	185540.795	131212.0117	112550.76	77145.244	55387.508	159271.5367	203862.6773	227871.1325	51426.3	83872.118	103254.987	115797.9333	207900.966	181717.4715	108641.2335	115955.718	101997.423	208972.25	60184.9065	62714.88825	57838.9635	66683.2215	63784.8275	116847.492	89014.981	45497.21	130025.7833	203987.1187	168161.67	276134.0395	160617.336	198595.6665
C521	D-Sedoheptuiose 7-phosphate	290.0403	C7H15O10P	Others	Saccharides	2646-35-7	3	5266321.951	4256662.64	4379793.601	4866257.767	5096988.572	4515359.182	6381083.098	6576334.668	6558548.075	3844443.065	4373995.605	4447710.408	5530151.858	5143943.035	7863188.916	8014136.184	5906972.286	7822313.889	4185988.733	5800156.432	4571653.857	3952630.379	3621939.743	3755619.14	5712991.295	5324151.178	8572641.81	4511697.995	5220252.28	4422165.205	5268368.056	6973900.6	5720260.462	5284460.527	5286625.593	5874877.103	5459183.576	3734062.525	6312485.046	3449118.3	6843206.92	5937438.105	5252344.09	5057137.223	4383406.863	4421046.798	7009096.464	5169759.792	6455416.498	3783154.063	5707776.586	4763410.72	7647564.068	10348491.03	5843825.177	6981493.148	5248284.046	6590460.915	7873801.52	6172459.347	8494754.877	6619223.475	9234978.992	4350892.548	5776940.95	4913043.96	3670473.13	5396539.761	5357285.736	6257340.76	8217840.031	7029328.485	4836203.648	4018641.478	3785825.094	4019767.528	4816723.632	5468624.77	5792416.216	6502352.26	6302228.857	7711085.492	5749206.116	6445926.5	8589475.343	9752678.175	6784838.253	7020869.625	6400413.045	4460630.185	4270975.511	9383166.859	6388279.61	3442780.107	5753609.54	5391910.287	8345292.754	6731061.88	8892762.968	5662769.785	3734804	5110069.612	7762889.803	5146178.463	4681038.504	6032705.64	7361067.945	5448499.84	3827098.596	3818457.685	7875042.163	8948674.303	5507981.667	4853603.76	9162142.231	5707891.552	7862348.252	5199674.283	5678136.656	6190211.781	9170039.743	5520930.75	5975507.489	7598578.931	4302535.87	5963615.813	5281747.364	5332516.453	7855579.242	4653508.692	5993746.963	10676646.61	10394489.13	5456880.348	7261806.152	7637619.36	6468165.947	5728447.593	4918826.416	4625095.283	6158289.893	6431236.693	5759628.75	7742543.924	5833377.893	5477940.111	4906126.666	4649906.702	6341990.454	6217953.133	5988449.596	6917490.148	4067061.475	6862920.89	3603542.458	6181716.855	3868783.576	5447295.986	5181892.12	5973107.793	5599234.83	4692072.458	3534058.836	8030867.108	4662443.994	5000955.484	6920557.938	4496099.118	3965713.069	5049861.432	6347471.449	5575995.202	6139473.344	4004247.632	6308417.148	4968441.124	3918531.039	3237353.591	3767218.18	4095218.866	8314797.871	5231128.224	4630460.423	6394748.954	5957448.975	6553970.347	5075338.875	7073530.064	3718612.386	6715122.561	4004264.935	4713504.966	4225608.547	7122089.455	6016888.396	6279168.906	9034697.733	4877922.573	5171433.124	4832278.577	5528875.973	5299362.25	6691165.575	5849843.799	5722024.987	6804938.227	5196951.612	6556317.75	6984895.102	8013995.532	7040328.294	5861447.825	4530081.213	6482816.972	5545484.461
C522	D-Sorbitol	182.079	C6H14O6	Others	Saccharides	50-70-4	3	111003.3487	188106.1875	101876.1	151896.1	56137.60125	150066.1	192027.8385	235466.1	107940.618	37833.85125	NA	NA	112532.3325	56126.1	149997.6576	68936.1	110755.4937	110762.4375	NA	133596.1	191506.8487	30316.1375	NA	156166.1	68936.1	44278.139	41245.639	129936.1	132144.1175	18306.1	53837.4375	NA	137894.3513	68326.1	132986.1	213549.8513	117462.1175	171643.139	92265.03	97626.10125	NA	173856.1	29975.74125	NA	105860.4938	315057.3675	NA	111636.1	98534.448	59786.1	189716.1	187314.4763	253766.1	166402.1175	157087.139	NA	143155.6175	201347.3513	30890.376	NA	250106.1	108897.6175	114573.618	125666.1	NA	304458.4763	82592.3675	68522.1175	135426.1	461166.1	98863.139	140534.1563	115906.1	158595.03	85520.139	120176.1	23657.139	54456.1875	232293.139	205176.1062	94011.139	109196.1	59786.1	106141.139	124891.1375	NA	198256.1	319339.6175	97886.1175	102459.8875	67716.1	187201.6175	95776.1	214050.4363	98826.1	109486.9913	248988.3675	284324.3513	28812.80133	149743.6875	250716.1	NA	170465.152	47917.139	25476.639	43926.1	173856.1	315627.4853	49416.1	210757.9838	207389.3675	109128.6375	133585.6275	175650.0987	137987.4375	22444.139	NA	181695.8675	182396.1	211042.5638	208033.139	146371.8187	NA	99721.3675	126912.1013	69782.44	72907.32	NA	75216.946	171861.03	48196.1	117459.8187	NA	133568.7237	83094.139	87236.1	87236.1	27316.7245	154374.03	63472.1025	94827.3675	111883.5172	72284.81867	63624.608	122006.1	258646.1	261223.3675	71986.1	193415.7263	218202.1987	146406.1	108285.8675	53218.6875	146436.1012	128106.1	102780.1175	64247.39467	65276.1	74441.35125	136777.5638	75251.3675	50770.99125	288752.1175	84774.9375	148341.618	158469.728	NA	71763.03	379503.8513	29562.8695	135202.8675	175111.9763	89321.6175	108296.8337	111026.1	NA	86012.4375	246218.9363	NA	114709.6013	25090.06133	160468.9763	NA	102168.3675	88456.1	81136.1	118685.6175	139485.1175	237838.7587	NA	122518.6875	160436.1	129969.9388	63750.31375	81274.639	101289.139	154661.139	81308.1405	89694.47625	110416.1	103929.415	84878.6375	162813.618	88528.605	138891.0613	142775.3513	25636.6025	204942.3675	37606.639	195856.2262	NA	117713.1405	180472.3675	187813.3675	NA
C523	D-Sucrose	342.1162	C12H22O11	Others	Saccharides	57-50-1	1	1478385.687	1206032.348	1041826.277	1875013.849	1155033.039	817094.777	1530152.365	838569.94	1783966.545	1787643.852	807694.94	1246123.384	725286.4213	1271780.608	733868.639	1814932.353	1012360.608	842642.723	864965.5087	852903.5075	1409178.988	1847262.817	678693.3075	1567734.26	829684.777	1351071.929	1102242.44	777029.608	1413233.795	1058986.759	1383031.596	1005566.275	682210.0088	1114592.44	797412.608	1916628.578	1789806.523	1221758.78	668902.723	1194794.777	1455026.039	813017.8837	928724.94	884503.608	720821.9413	1371057.295	1173521.884	770235.2747	909155.016	1153419.026	1638256.711	1219278.941	791600.2755	941898.139	1227774.282	748776.5285	1351580.398	958732.277	1049420.608	590474.777	707850.9413	798839.277	1352116.658	1064995.557	929870.7575	1798062.2	548344.94	606841.777	1527985.35	892005.277	863048.277	1232166.403	717004.277	718542.723	727076.277	2547709.119	779324.777	1035219.862	1330238.276	1025013.78	1109334.275	718263.277	407554.94	1005944.777	936336.54	1296224.5	1268691.039	1037105.812	817177.9413	1761553.365	1022311.777	966158.139	946771.777	732773.1813	527967.44	873149.94	1181286.613	1910682.321	1569551.235	1463618.223	1148841.277	1609864.25	1147881.308	728335.277	2023478.649	936699.777	1143923.608	1478714.075	1071616.526	1566705.687	1532512.714	809219.2755	1239085.275	1097415.775	1164061.723	971238.9427	1262769.758	1346467.867	2211253.7	735389.307	2031415.385	1054077.44	1257380.926	1282280.941	1381872.932	839423.2755	2098809.874	1047126.667	888559.723	969845.223	1446740.258	1723005.709	949919.277	1076021.275	1028827.526	1307605.275	1538390.985	1885537.305	854432.223	1519581.525	785307.7755	664685.5087	1221749.608	1093486.08	750069.7755	1085891.277	971131.9187	1485790.134	1725582.882	1328264.848	1116612.935	761587.9413	836423.016	1091556.777	1346620.258	1508650.887	1020726.223	698343.2575	924739.277	1616096.414	2121778.143	659494.94	1161433.795	1049324.015	1133657.223	1183917.723	1808923.938	915181.6813	928885.0285	1562700.707	827060.608	1832153.455	1435739.551	801909.756	771770.777	1710055.874	1301579.268	1954452.176	1118625.277	1202119.639	1472301.119	1316484.26	972387.3638	1126742.05	1111334.092	1374808.643	925368.777	1517776.834	2764772.362	1152124.681	1828527.48	889729.8863	1283575.14	1180173.807	1792217.265	1068027.326	896055.7755	875638.277	2878621.256	2177628.091	750324.5147	679736.448	1346084.157	1032383.777	892903.223	908372.277	893893.777	1185352.277	1542283.068	1455879.902	859786.7575	928178.8837	771879.94	1054077.44	870578.6375
C524	D-Threonic Acid	136.0372	C4H8O5	Others	Saccharides	3909-12-4	1	186081.348	218857.0032	218915.0413	253934.7096	397541.4464	414216.0241	263881.164	355850.2464	293134.164	204407.7595	291832.6029	174962.8452	397043.8272	185545.773	262343.0426	216667.773	485963.1588	346022.502	445028.8452	325030.2116	386905.9452	311030.8956	189768.9463	389076.3991	220169.5452	226627.6452	214685.2968	317041.0452	269551.854	274182.7452	213733.164	390265.0956	331131.4452	305277.6491	265376.2452	303537.7452	355378.3956	241305.1452	216683.8103	389841.4452	204352.6464	199839.088	236060.6223	216059.8452	219480.1029	179792.6968	274750.9616	300457.773	334192.417	139760.6464	223596.2925	350505.7452	386971.8464	267865.9956	423306.1452	247847.6476	288018.8968	205639.5425	316585.854	250698.7452	207840.4452	145466.8956	235225.164	278832.044	190814.5452	215509.4464	330026.96	368386.9956	309995.8452	246001.9452	380512.6464	366507.8032	394538.2452	256747.002	425654.5452	257156.8452	210730.8749	398206.164	313034.4108	334939.0512	413912.5452	382209.1452	227253.4464	371054.2452	321150.7452	215524.164	332305.6452	268546.96	215766.96	234847.0452	325260.4452	277874.8612	299413.4163	244535.4032	205702.3143	439417.2968	371083.9688	337059.8464	385210.2464	242826.2044	222480.044	343946.96	273825.2968	623507.2452	453835.3452	435635.2452	432112.6452	386866.96	395125.3452	285337.6452	369566.3634	370404.044	181546.96	471448.3452	222904.002	271247.2452	305886.1452	390994.3612	455674.2464	360595.164	405106.0452	293486.96	371083.9688	324226.96	367007.0464	374053.4464	497965.8968	443267.5452	439836.2763	231656.502	424480.3452	321674.2956	473424.273	318802.3452	429135.273	230150.2452	314223.273	224479.164	465136.2032	403413.4464	284786.96	370789.012	541729.4968	429778.6491	334066.9452	331131.4452	251900.8956	258541.1096	406392.273	334233.2748	459060.273	381395.5956	481866.8652	416848.0452	346396.0452	365430.4956	355456.5431	378751.0464	298891.8464	402592.7763	333283.5766	382051.4968	300970.2312	461488.164	320008.2489	389201.502	315223.164	560590.164	305938.2464	354312.9044	343552.3956	260092.3452	306891.7956	319276.728	242969.1726	257445.1265	365340.6032	476726.502	333479.8452	227840.6464	293507.502	205527.0464	244430.417	303815.211	309408.7452	345221.8452	434170.854	333500.2956	278292.4452	265672.164	280824.8739	405693.1452	357231.4044	308656.164	298840.9452	341699.2452	183170.8991	376989.4464	204317.8452	334654.0452	330460.1553	296581.7925	360671.8032	340169.55	334409.8032	343256.3428	288578.1514	301026.96	174880.854	437396.5452	227840.6464	204939.8464	215240.2956	314578.6956	190996.9956
C525	D-Threose	120.0423	C4H8O4	Others	Saccharides	95-43-2	3	215300.1946	237270.3938	258751.3411	737994.31	810089.6378	107538.2693	138131.2622	160151.352	184377.3118	207880.7496	193498.8014	201349.6082	146007.405	118732.9563	101839.7787	NA	NA	276562.7768	NA	282969.28	78763.78491	315549.8968	585852.0276	NA	NA	436722.6458	215605.0156	265595.442	262748.5	842883.1317	484254.4617	386784.9118	NA	215626.6775	174119.0277	204662.5218	994383.8646	297863.5189	NA	95831.5962	271680.4819	423112.8878	225039.577	188743.2757	122886.0945	290459.0885	889222.0091	471481.6493	NA	NA	457992.7593	318482.082	142976.9885	NA	NA	226070.612	192184.456	176069.7923	139099.0855	NA	746473.9268	NA	372802.6214	249293.984	297725.6329	602154.9916	NA	201142.1996	220011.2955	227611.5133	211598.7896	146203.3943	291910.059	58214.034	897120.9248	NA	204350.4726	190307.156	296611.9331	283781.6932	245388.994	244923.2886	215625.4953	888312.4347	189122.6068	403130.7892	300097.5073	360832.725	264461.0078	567544.9428	NA	249830.5599	340837.0705	661851.1709	968546.706	736856.7614	NA	355020.5391	256985.9114	NA	NA	254244.066	234734.8426	181311.7065	157342.0261	734758.5262	388301.4022	190408.6171	204770.2607	779637.1855	225370.3811	126825.645	126689.2341	356702.1054	361054.1765	165837.8314	292428.3049	NA	1051847.513	179753.688	273606.6313	764185.6227	179912.3015	170784.9209	NA	168211.6877	115289.0225	126936.625	192500.5895	293867.2367	151384.2041	215764.888	416193.522	195435.39	290910.9177	298458.7374	204998.7784	436398.8755	149722.4266	368436.6274	NA	179702.949	126974.832	160545.5736	427022.1655	138935.304	245826.6091	373057.486	107818.6429	560611.8875	243566.5885	254948.2859	132299.3844	NA	194977.228	175007.79	134963.0215	488024.9227	238984.7024	200986.5333	98681.81236	1121336.261	351856.7059	103564.17	242655.3858	178573.9991	209337.607	250036.0418	206863.7095	227462.2696	225063.6769	472783.521	225802.5676	223174.6293	398278.8275	NA	184617.8302	656693.755	133749.2738	534568.4116	NA	362539.0879	141280.9927	192415.4031	227318.79	223105.0342	171815.5083	192632.9419	596728.587	722099.1161	396157.3249	306400.3354	NA	208425.9727	339269.4963	128810.3823	458768.35	192522.2091	381854.325	NA	136315.2665	215044.8207	294251.3528	303401.694	598983.2037	278370.852	677156.9125	210747.9952	199484.2385	278339.1142	146996.1169	148065.042	372712.6377	428003.7022	402595.2302
C526	D-Trehalose	342.1162	C12H22O11	Others	Saccharides	99-20-7	1	1363470.161	1210658.378	1124383.943	876976.594	724893.171	785119.954	972325.266	1141261.916	1197784.4	1016928.293	804893.8413	1137381.859	1246860.69	1589213.664	652138.47	1419036.374	954538.548	981988.3243	813394.9785	760121.415	1094982.037	1678083.42	618150.352	1062857.872	907307.163	589677.7193	1094053.064	1061587.406	872211.279	1069358.089	763673.5573	1410892.055	736897.691	1304198.1	933737.35	1052025.436	970569.395	652967.76	836158.0567	1330969.874	1037704.569	1024681.215	772704.92	1025722.754	627652.9325	1409754.97	1095353.094	583299.6933	1271831.88	1579710.731	777011.7435	1398360.273	849775.6965	1354669.004	1174325.955	1071949.114	966518.41	1104452.714	1148315.218	1101468.884	971867.424	1078022.527	1174416.128	1069578.338	1229823.934	1626266.4	530015.07	803751.895	1284371.899	763456.341	1088526.364	1016344.428	980531.862	839666.805	1082089.097	1271260.835	1028628.18	566501.8787	1104177.696	1062400.5	1034259.687	954824.53	515844.048	1252637.014	905574.779	1386412.956	1264336.901	1085950.32	836247.944	1396800.341	1593202.809	1256637.2	1140849.145	840471.9237	791304.528	1247467.989	1417786.175	1515251.824	1464606.031	1049487.132	1747277.97	980544.305	1586711.945	615705.137	841880.71	1509778.951	1046071.625	1053646.425	1400467.61	1697885.75	1548483.129	833317.0335	1168441.387	733201.084	1270630.03	1416800.215	965800.303	1413728.074	1673888.061	891367.173	2002658.566	1069375.385	1443643.681	1152141.045	1081921.65	814692.492	1191679.124	1288157.181	1235251.557	1173553.606	1435426.188	1245128.338	1086688.224	1064601.646	867100.2075	1394128.701	1942502.287	1350807.546	1025565.778	1856731.604	984474.21	556122.3405	991861.4867	889109.577	1263638.456	1480800.701	828016.602	1203153.902	1956770.534	1267195.719	1720111.508	1145615.719	762969.753	1167177.889	1041022.73	1156545.098	1099204.986	1032786.817	885892.664	1169310.331	1006996.326	979473.655	967792.93	1346874.723	700009.629	1391645.31	1028967.876	1068279.455	1090409.728	1432405.326	1028626.921	891276.316	1390992.745	1187408.456	1011729.882	1585357.621	752655.816	1764038.169	1404594.537	1077590.69	1295229.311	1355606.243	948578.769	1131317.256	1101840.058	1233387.083	925071.653	2100602.677	1801581.843	1350592.651	945520.479	907307.163	1158761.208	1347312.528	1006945.321	1093187.182	932933.601	673333.344	1197096.374	1422006.507	815879.9983	748908.3975	1642623.018	1044660.286	1005718.981	861970.77	1319805.923	1270208.877	1214508.199	1203165.067	1071767.325	948502.116	912577.3635	1220226.577	994145.36
C527	Dulcitol	182.079	C6H14O6	Others	Saccharides	608-66-2	3	155524.2237	198354.8236	142885.0482	202526.1	70780.60125	210456.1	253281.8236	366006.1	117588.618	NA	NA	NA	155718.0825	104926.1	222728.6188	90896.1	133645.9564	179059.9038	NA	174466.1	361661.9737	NA	37411.4808	193563.4648	140306.1	106146.1	52616.6175	162876.1	230539.8565	NA	98387.4375	NA	205249.8184	54604.8	190936.1	416111.3513	194542.6175	301346.1	142917.03	183043.6013	NA	267186.1	40373.36625	NA	130144.82	415384.3675	NA	175686.1	192732.3947	112246.1	272066.1	223311.8513	382476.1	232505.4853	210459.139	NA	256669.82	284934.4763	54817.152	NA	337946.1	160284.6175	174873.618	228146.1	NA	483225.1013	120968.5838	114403.3675	216556.1	661246.1	153448.139	209290.4063	200696.1	252663.03	134816.1	190204.8	40639.139	59406.1875	302404.8	268681.1062	193477.139	166791.139	120176.1	172026.1	238516.1	NA	259866.1	430673.152	156611.4853	203136.1	110416.1	278359.82	157386.1	278387.4363	143356.1	165044.152	391521.4853	367301.3513	42104.72625	167103.8695	513626.1	NA	309001.8187	110416.1	32754.639	81136.1	245836.1	440310.4853	68538.139	276732.4838	304785.4853	175686.1	175752.2075	270180.7237	219653.0613	NA	NA	239733.4853	226926.1	373806.6888	386136.1	269937.3337	59957.6175	193353.8187	217210.6013	100046.1	154244.82	34574.139	187225.8947	285825.618	86126.639	171067.4853	NA	219561.0987	122006.1	151896.1	164706.1	34374.618	227337.03	109851.1025	NA	206796.1	122367.564	74603.139	215336.1	297686.1	398867.1175	105734.376	316050.8513	318324.9067	244616.1	195766.1175	81771.67183	189754.9762	208626.1	198774.8187	129651.03	108081.7982	108608.3513	225855.3248	122356.1175	105205.6163	386020.3675	104574.9375	204983.5288	256884.03	NA	112618.6875	482614.9763	49470.1195	203718.8675	238564.9763	172519.6175	170351.0837	192766.1	NA	139843.6875	415722.1863	NA	181823.3513	34267.56133	161689.2263	NA	127876.6065	150066.1	142136.1	189648.6175	220236.1175	285984.608	22917.618	220281.1875	250106.1	172672.3138	94075.18875	151864.9737	183616.1	231196.1	141555.1013	146436.1013	128581.639	202235.136	112994.8575	303915.618	131373.554	221488.5613	233073.8513	NA	320563.1175	61181.1175	330083.7262	NA	176296.1	258776.3675	248166.152	NA
C528	D-Xylonic acid	166.0477	C5H10O6	Others	Saccharides	526-91-0	1	1157509.996	826852.164	977273.32	1064052.92	1052269.446	749363.48	989886.42	1291759.982	1200133.139	1098471.145	1008052.719	1039132.589	1185847.027	615874.9452	821812.845	1546412.758	881827.7187	1022881.764	1048610.845	969658.3453	876669.8453	1574638.996	760862.0937	1001759.76	787895.2452	946849.8453	729461.845	798887.012	1022662.094	671786.6773	1100846.89	1021062.039	1028531.791	1544454.563	857110.7912	850649.9815	1309590.219	1759561.01	748637.502	912360.4452	948019.512	1150331.846	531084.2968	499310.0107	490880.8437	713095.845	1250648.2	1055912.677	1141245.639	571146.2925	1089254.423	990888.6663	791869.012	872477.7187	1057968.179	1293385.819	944557.845	857955.1787	832155.8437	509364.85	1328114.768	632299.5938	1165389.514	810583.6787	284697.348	954765.344	947862.0937	583796.4688	575480.6787	838103.48	772569.512	860534.89	1371189.5	701673.984	641968.6773	764381.8453	430442.012	916311.013	1051535.012	908768.5147	994806.1787	960301.012	493502.35	806260.0107	708036.0107	1151256.514	862972.6773	932283.345	639312.0938	620382.5425	1263748.08	646601.0962	1103990.613	575458.89	714646.0412	1262525.845	1152977.719	1218541.188	1390255.79	885861.89	758643.48	726383.9687	724785.845	1117302.677	1134581.345	1124657.12	1224645.679	1255336.996	779587.512	1276894.46	1010974.594	871991.1787	1049543.344	1168753.344	554726.1387	717595.1787	1026387.179	2117827.033	999484.8453	915311.89	1381359.192	947277.7187	1488306.119	834493.3438	1403497.069	848013.012	810707.345	864218.2452	1256076.264	626100.6507	1301449.228	1505843.212	737183.48	1008173.93	1248441.377	578843.48	856466.9	1037014.764	1743759.328	1497515.76	792587.845	995141.5452	1519705.845	991326.6825	622267.3453	1011478.011	1253976.039	1011376.293	917644.3452	1427225.34	1288911.046	989352.7187	1035711.073	1228885.559	1322936.278	1801866.55	726677.6387	844504.012	930474.512	2226303.378	877924.845	914748.345	771679.372	926306.2637	1618788.607	1328864.067	972444.89	1410361.514	807429.344	1127351.89	891665.372	821110.6787	917474.5938	823450.012	539403.48	1231868.344	731388.6387	1952211.312	904741.8453	1234819.309	864474.3887	658303.48	569448.0137	1060062.094	1042109.545	1106417.183	1002208.969	957533.3775	1255322.933	1101791.014	1314409.464	1196516.845	1177973.421	1166225.89	1300904.399	759486.6773	553624.8088	891290.6787	1278963.011	979321.344	984311.8675	814314.7452	816463.4032	780040.9875	695467.2637	1269103.541	789925.5476	1446423.963	669115.2188	1209433.045	873760.6464	743402.2464	1053859.345	1142458.969	616521.4688
C529	Galactinol	342.1162	C12H22O11	Others	Saccharides	3687-64-7	1	3318512.222	2924734.954	4070650.419	2424992.743	2639868.682	5249447.083	3534923.172	2873267.507	4162046.064	2927679.859	2253132.31	5936997.677	2799894.618	4432243.191	4351433.858	4216359.525	2229346.014	2973691.065	2995624.261	2648738.427	5364589.072	3446413.23	1826591.448	4890029.94	2464512.644	2514521.659	3786983.813	3539184.181	4149042.417	2874551.245	3153707.286	2861162.537	2843040.943	3759213.149	3366751.073	3717878.619	2875389.812	1775647.431	2278157.063	4608243.419	3818142.762	2856883.771	1900336.49	2712625.033	2415192.788	3206334.17	4105545.4	2951500.139	3653374.758	4501529.111	2864318.313	3480734.802	2214871.905	3771929.031	4012986.96	3484569.225	3452504.889	4091422.66	4487861.42	2134366.074	3342956.544	3154435.831	4374901.023	2468377.852	3977039.992	5045291.246	1388592.587	2187706.386	4148131.977	2319648.327	3189142.71	3392203.834	2443075.497	3092554.626	4496713.645	5520070.455	3890569.354	1861786.538	2575018.979	3517353	2684486.807	3318661.05	2076340.001	5434028.918	2545134.5	4338144.255	4114235.496	3409494.225	2928163.315	8514261.104	6072951.786	4118027.49	3783949.476	3787750.416	2528995.066	3074397.885	5255073.213	5235700.062	4796981.368	3232891.87	6220325.863	2863307.837	5252278.395	2377019.698	3049430.195	3592086.893	3909405.045	5158720.97	4742761.706	5442006.25	4090401.52	2649818.315	3992880.112	2618457.753	4595943.254	4389267.172	3146919.601	2809369.686	6110650.526	2602507.71	6145793.392	3808543.436	3503294.659	3886955.395	2599961.595	5504865.258	3922695.227	5428630.708	2415708.768	4806931.594	3985228.528	4208405.125	5856718.179	5681622.275	4145054.75	3595051.838	4775770.995	5954509.902	3964323.825	5065765.278	2982639.966	1630634.675	2631121.939	4501212.052	2810459.547	5135881.506	3105771.704	4587221.015	5721841.509	3661680.465	2949545.192	3653154.911	2708099.298	4088885.775	2856599.237	4638386.363	4008369.618	2842100.754	2980408.038	3614032.754	3606695.235	2800946.655	2857363.45	3868955.744	2936769.414	3511797.933	3502432.504	3490441.182	1867255.503	6296104.292	3129651.157	7192902.388	3471000.069	3815964.54	2497031.355	4727008.841	3062497.606	5735897.339	3467233.125	3953257.482	4508611.327	5445824.644	4904870.274	3038915.789	3914098.805	3484692.934	5448346.421	5321371.235	6362812.813	4673596.072	2559696.15	3099543.431	4291886.478	4965614.766	3560072.487	5148905.861	1913668.65	2443562.884	4735582.483	4025644.946	2933355.768	2939919.876	3796824.608	3900684.16	3375618.039	3429790.462	3036757.101	3310110.256	6885842.405	4472560.989	3738697.685	3074713.433	2757764.88	4595873.425	3269120.675
C530	Glucarate O-Phosphoric acid	290.0039	C6H11PO11	Others	Saccharides	-	3	11037663.58	8590989.356	8536430.653	7721170.708	9905088.309	8249382.558	10839895.09	9760947.313	12348927.58	10425945.08	9432447.525	7958153.308	11510352.57	9851303.119	12099208.64	14221399.77	10952578.25	12525249.65	8556893.832	8910688.401	9419686.642	8000315.212	7345187.73	6865951.452	10304325.4	8050868.75	14298458.85	8523800.861	11195177.01	8546086.028	10504920.83	12173955.06	9313282.231	10390564.04	9833775.076	11049808.74	7741757.484	9596227.045	10298047.84	7427039.909	11303011.21	11939818.66	10136235.72	9895881.43	8545403.598	10480100.63	12869389.01	10994998.22	10178040.68	10191773.63	9249498.093	9097144.452	11325952.93	13727212.96	10976065.66	14294314.29	9981144	12974682.97	15626831.43	10602407.13	18162504.94	12398426.62	18374726.66	9008935.811	9201445.606	9242660.725	9375003.328	10379340.39	11199687.9	12155068.89	14663002.39	12871930.49	9675328.02	8546728.157	7332700.236	8153555.576	8121970.482	10079110.64	9174141.363	13308738.58	14102963.42	13918249.65	10865387.63	11728384.3	16235649.46	18197527.17	13864755.28	14244489.23	12297872.61	8097151.426	8634637.762	9801613.27	11246127.85	7076740.715	10181219.13	11043485.76	15139725.64	13398654.04	18086224.63	10931380.08	10846683.26	11795704.08	13628718.29	9978023.806	10913682.79	12701659.6	12682293.97	14224398.85	7248802.221	8504478.613	15126205.74	17119734.01	12798742.6	9923005.592	15421388.68	13152335.42	11511408.53	11704422.45	9534974.407	9891143.969	19356707.83	10111408.38	11549706.48	13137146.37	9863954.386	10113205.14	9477013.648	10447035.15	15551785.91	10014642.86	11574900.34	17929387.98	19555168.45	14198618.54	12276760.1	13954736.55	11629694.67	10421130.13	9247035.253	10047251.48	13348135.4	13002419.15	12799711.72	15635765.85	7875936.526	10601782.15	11065056.65	9870462.137	12533249.17	12807600.93	11602490.87	13013318.71	7829586.57	12441518.27	6914818.196	11318132.4	9742266.462	10965524.39	9206959.515	11024308.05	11764497.67	8377751.25	6264444.248	15570216.13	10690041.72	10838126.12	11501290.88	10421107.46	8018621.319	9369683.623	10158964.25	9226533.614	11743446.37	7226817.878	11965484.6	7518402.782	7656450.536	6105053.546	10884554.01	9975375.197	14293766.58	11036256.45	10389134.39	12461032.45	11739772.84	13005724.59	9758313	9897832.854	7995680.362	13997695.33	9007334.597	10231105.33	9545163.775	14589847.58	12743505.85	11171189.28	11730742.31	9397111.14	10156097.5	9691767.518	9558645.271	10890269.32	13341088.67	12010542.4	11542024.22	12276005.18	11035738.26	13434180.77	15070405.85	12803292.86	12520941.18	13329268.41	9517459.432	11073301.56	11901696.11
C531	Gluconic acid	196.0583	C6H12O7	Others	Saccharides	526-95-4	1	548319.2768	515431.0221	302416.3268	432165.8375	246381.5939	197359.1674	268366.515	325723.1504	350123.9228	350827.6545	401975.2964	224185.0787	373857.7251	118278.8571	368560.6459	357958.8131	224807.5932	364177.535	264242.304	377828.2255	161767.5552	569510.4822	241071.3205	276190.5312	309422.7411	178986.5787	281108.2058	424847.1756	428832.28	444024.2235	321793.654	411780.28	405983.6585	434990.1175	326659.095	611168.9636	267257.5327	602878.989	186458.708	229062.5588	424204.8485	278234.0354	249229.6451	285450.6451	228818.615	224503.5371	328935.222	441081.2986	444009.5838	166498.449	429346.6695	500606.5549	357048.7298	252785.8282	438060.4494	382547.1265	329646.5277	334354.1436	391255.24	175562.5716	347433.4595	191991.0751	480540.3355	202744.713	189668.52	298449.8076	181056.0335	291056.1032	218645.9375	234456.1278	512073.6069	268182.1039	333231.3613	115046.414	189224.7095	245816.1378	127558.8978	228360.4657	243896.3505	229561.344	246435.8114	206527.5575	174218.0531	206518.3	294718.4622	265521.5822	185402.1349	225111.5998	228022.0836	169103.3171	380382.0709	151162.5655	430919.3399	287749.2769	207892.301	299714.8789	262735.1362	259447.3519	288616.5596	204167.9062	198509.5265	104851.9295	213856.4333	284920.8384	207475.2025	327045.5141	372434.3496	330583.7255	203183.279	274434.0905	246999.5091	342258.8235	202727.184	214410.607	259992.7773	223137.6522	323167.7135	274323.8082	193789.6995	217055.9268	476406.2005	172420.08	298131.29	175268.9784	154905.21	297915.7593	244745.4673	142136.3325	227068.4167	294027.5529	252240.9622	462428.1095	259348.767	258600.6295	221710.2545	193380.9914	335314.6244	221559.3409	302015.4165	174129.9999	151605.664	196573.3727	226095.2795	251227.1847	131359.5572	313772.3967	438666.3082	170546.202	320562.3318	360705.3273	320887.4955	328682.535	554141.0392	272072.3045	171619.9095	180795.012	181624.9091	186176.2342	351643.0138	327514.845	128528	239683.84	202952.6247	189924.0843	385211	347577.2404	293902.6091	344281.5409	279618.0264	312375.0612	330908.7478	132431.9885	361455.2793	185718.438	280512.3985	328656.0607	221253.603	409607.862	356392.6893	252527.7404	238862.398	226267.893	277776.2975	372948.563	406118.8186	346595.7455	358269.7873	360142.3364	642952.0957	388961.6042	292633.0814	247201.8228	227087.0018	298468.3898	285393.0682	335217.2028	204692.8737	189050.064	322874.9283	181291.3172	274424.4625	279164.0782	285690.0095	222574.2705	317955.8986	349524.6091	161111.7055	388177.1891	251176.8109	376506.0753	315678.9	260051.4606	253107.1591	412295.9091	219324.5447
C532	Glucose-1-phosphate*	260.0297	C6H13O9P	Others	Saccharides	59-56-3	1	3288573.783	4600335.744	3830117.472	3928098.864	4006790.024	4704627.446	4470356.798	4640206.783	2875725.152	2299758.815	3595831.157	3893495.888	3007692.115	2674659.475	2187697.461	3466396.69	3905674.884	1852622.754	2701770.093	2916136.596	4958203.899	3026372.426	2355536.235	4150000.296	3387299.995	3777768.758	3673778.517	3776006.74	3973907.418	3644873.244	2154302.37	1355998.479	3423683.235	4912282.304	3524402.76	3719311.01	6107037.269	2435597.538	4885560.965	6992551.13	3798307.515	2508027.677	3620447.504	2551737.614	2075393.27	3557125.691	3722916.159	3037676.72	2497168.853	3902302.449	2384931.528	4285118.075	3310971.521	3524222.163	3512875.911	2644981.467	2540673.828	4163008.707	3297169.474	3626009.47	2018511.875	2698187.591	2190656.928	3808424.993	3472901.769	3199405.239	2529520.42	3120692.379	5089759.523	3786750.648	2937093.384	4571372.535	2180794.604	4378958.255	4487672.5	3108329.368	2216348.385	3504749.137	3282962.142	4109718.557	4711959.369	3954635.373	3986180.699	5551750.188	4154411.837	4124326.684	2702773.875	6321009.926	3347249.899	4393939.142	2593927.116	3985024.394	6759628.094	3486911.568	3360564.75	4758849.824	4253092.333	4110394.179	4016575.763	4145667.349	6223976.8	5564845.91	4000714.592	4380077.7	3253911.36	2090847.248	4430984.436	5347428.318	5821337.191	4651977.717	4758562.208	3978936.585	5326264.832	6190472.345	3820731.205	4611011.824	4729670.985	6425117.76	3471240.533	4211112.661	5137371.038	4828016.907	4605715.989	3737972.889	3816121.458	4338319.988	4268993.309	4054267.056	4115298.404	4238550.81	4033905.764	3065368.383	3841180.5	4848379.475	5578739.888	3064367.037	6483490.39	4646821.109	4813165.348	3091636.715	4955182.722	3497546.661	4775138.933	3719365.45	4767369.498	2686866.94	5542726.92	5012526.248	4199206.035	5228088.48	5287412.601	4050179.979	4257742.859	3984585.48	4273575.748	5179343.275	3566092.254	3487545.177	5264068.588	4877091.541	5884084.514	4664428.474	4239431.892	3266312.245	3237711.331	4772337.905	3397927.381	4068116.94	3347106.537	5002218.15	4834121.991	7027495.51	4274299.65	4815206.855	3576348.09	2847208.79	4524900.459	4678714.2	3767224.684	3573840.906	2816803.824	3685209.02	2773307.605	2422100.985	1915000.311	3301479.876	4957841.779	2062749.012	4325049.099	2842484.659	3511282.805	2873318.95	4360898.848	2669308.171	3137924.727	3997034.268	3311775.455	4767419.46	2576685.684	1660474.58	4400557.578	3819611.021	3427688.43	3749830.916	3888151.092	2262825.665	2303233.438	3426138.859	3661403.04	2783730.51	3012371.356	4212933.236	3850494.581	3382195.243	2341737.108
C533	Inositol	180.0628	C6H12O6	Others	Saccharides	87-89-8	1	195411.43	160122.214	249196.7705	213686.2705	140842.8966	536100.7148	166094.0914	158697.1961	188780.214	182461.5205	156968.7067	199624.8966	141238.6298	85717.26938	114630.2146	295697.5819	136122.9289	150159.3578	109603.7705	137389.7982	110216.0205	561278.151	142639.9122	183794.1315	121259.2039	102193.5722	198065.0967	121356.5789	173453.6499	113889.5205	99068.214	163559.151	140216.2705	335835.1961	92194.047	181849.2705	152392.7749	213074.0205	99466.66587	158781.8827	115120.6838	213686.2705	108423.651	103154.9122	122432.8385	91697.151	196898.0167	158491.0312	160122.214	113690.4058	230217.0205	144502.0205	183686.0205	127008.651	119399.7705	336204.8978	130081.8085	184317.0841	172296.0977	102858.5194	179400.2705	150549.651	234726.417	130062.7982	123073.2705	194114.0841	114580.854	141653.7633	131644.7705	187359.5205	141455.2091	137347.3248	201751.5711	181335.7284	127359.0205	110828.2705	78784.54933	157700.917	176339.0205	136872.554	134093.7705	109603.7705	102869.0205	143292.1466	113277.2705	158721.3046	131658.2091	132584.151	89210.14988	118175.2705	265115.2705	119936.2574	214298.5205	122581.2343	126701.07	169134.651	199886.4844	187009.0723	140461.8827	145793.214	189176.9569	139906.854	125419.5977	145114.2705	169621.5841	191033.0205	212461.7705	197256.312	160420.5205	226705.4034	149310.651	166526.0194	129472.4933	138991.7705	121408.1022	124310.4591	171441.0205	306044.151	189196.2705	164499.7151	328177.0205	173071.854	207543.651	142465.5977	192277.1466	153089.1466	122634.4844	137256.1	201240.214	113414.7284	161645.0205	208163.151	112653.5194	162869.5205	166560.0216	82708.72971	148802.9591	133732.5467	236545.917	167172.3341	84271.65213	91236.2705	158194.9289	186747.2705	150027.5841	209747.3836	223008.6499	104716.4591	158583.7705	193326.0413	238200.5841	136287.3999	149767.8256	149400.0205	151433.2148	205685.151	839431.173	74785.79556	149415.2716	247342.214	117716.151	126926.2622	140651.8396	141756.2144	285065.917	180685.7248	131464.214	200524.4895	219218.8966	260541.7275	175212.3565	108991.5205	107039.1564	134424.4456	116950.7705	161081.151	93461.214	330201.214	126752.5745	162886.1466	166842.3578	136556.7091	185042.214	213119.151	182461.5205	148175.5205	132893.7747	161700.651	293251.9763	148121.4364	328299.2754	197195.7728	174674.0914	133969.6526	201441.2705	117563.0205	111440.5205	117575.0216	152492.3978	105156.792	110160.8709	113959.2773	166008.9236	137823.525	121861.8728	189196.2705	100127.2931	234801.651	137526.2749	233520.6453	145741.3966	89624.435	201762.3756	165090.3564	147493.5893
C534	Isomaltulose	342.1162	C12H22O11	Others	Saccharides	13718-94-0	1	2232634.374	1126424.515	1586827.233	1502030.682	903277.276	909001.777	1413540.15	1398383.09	1404485.016	1354177.882	1068279.94	1734680.416	1058466.137	1450919.616	875238.608	1414461.608	1123515.777	1243217.667	1021625.608	978487.5255	1547486.008	1339979.94	741346.9547	2382799.767	1077547.758	666547.139	1427524.15	1618519.009	1040569.795	800500.9413	836200.6813	1616812.914	901180.608	1117062.44	773941.2747	1537263.624	1035214.275	1031124.777	1086009.061	1376783.941	2185531.774	1122523.141	1293089.762	1263750.941	900656.139	1273522.715	1577356.077	1591679.419	1112794.937	1838098.665	908011.5255	1455758.903	1006793.639	1932844.832	1082606.139	1825840.472	1708747.235	1194572.275	1819196.339	874179.0075	796338.139	964945.139	1796098.059	923742.7755	1022941.277	2435835.215	449234.8875	685614.9413	1418681.132	1441337.193	971010.139	1085272.123	1254550.822	1031720.242	475276.277	2425757.491	1395062.648	542320.723	1247052.684	959142.48	1057484.909	708820.777	601045.139	1167513.232	1455682.492	1749905.557	1540088.094	1309800.7	1133733.277	1722304.788	2190520.914	1496352.03	1405543.129	1146093.556	716922.44	1298508.009	2472291.138	2378854.061	1719530.869	1186808.012	1957126.98	920897.3875	1996147.977	1086480.608	786027.639	1576110.625	1159088.215	1892454.237	1512081.458	1617268.935	1177414.756	1532616.402	1296803.912	942620.2755	1251351.181	1266346.642	783731.277	1530465.105	1970907.625	1037479.723	1860512.743	1113793.582	1796059.184	1572727.28	995243.277	1101514.71	1246456.275	1934529.04	1311460.257	1590816.803	1083319.14	1420947.016	1407923.333	1153494.94	1612441.799	2216688.31	1938521.329	2358687.474	1174288.804	1803572.872	1043281.892	617298.0255	688381.139	1406103.068	1232704.526	1698859.825	1027347.777	2548154.505	2402479.973	1103231.681	1389997.44	989205.139	916230.7245	1462680.374	835090.2747	2294989.913	1728108.558	846974.2755	1632872.952	2286641.44	2370686.79	854893.472	1258376.795	1653175.812	1512584.163	1429255.977	1879519.633	1125797.681	1354662.782	1879462.234	932681.608	1712158.165	1714017.588	1369450.12	1065658.508	1955318.397	1010729.016	2591641.163	1084627.608	2381748.502	1702939.429	2007491.867	1667641.19	2512639.61	1073198.039	1812416.112	1687212.09	2550751.626	3821893.344	1732534.039	1432743.187	1232493.014	1428938.016	1636437.134	1396055.308	1507352.498	1250323.526	895245.4427	1575191.156	1221233.777	894404.2215	799104.474	2142765.204	1044344.277	1199424.018	1858382.202	601805.777	1419936.48	1675146.935	2023644.005	1072245.776	1848856.608	1201659.94	1683939.4	1162757.44
C535	Lactobiose	342.1162	C12H22O11	Others	Saccharides	63-42-3	1	2788803.279	2371836.43	2871498.243	2296394.487	2090507.809	2431209.576	1791590.747	2168191.211	2085868.488	1640097.008	2068225.84	3095193.463	2075178.627	3276581.519	2091343.978	2748229.643	1640566.592	1870420.308	2260828.234	1454507.665	2291383.671	3077982.175	1608153.892	2438511.776	2245279.197	1495120.242	2264188.485	2157676.437	1744884.862	2180055.735	2031329.89	2320137.594	1527460.347	1997556.163	2759340.991	1988733.62	1695587.65	1951536.871	1411961.401	2165986.118	2622886.614	2303536.904	2121858.44	2173573.941	2314582.3	3388452.21	2161115.077	1770878.758	1955247.801	2783997.068	1863302.379	2931999.968	1845216.476	2494629.114	2598572.297	2288618.557	1223467.118	2451927.895	2263364.599	1795968.536	2015543.925	2775745.503	2392412.21	2205830.841	2961617.88	3945611.72	1478605.868	1405861.217	2409228.599	2593485.863	2069762.705	2555376.967	1957291.781	2078349.075	1934025.44	2833748.089	2346030.672	1256583.237	3353640.596	2138548.86	1860601.292	1812273.845	2060528.207	3418761.622	2708540.25	2252701.671	1845304.969	2201718.125	1049736.265	3223312.425	3239817.434	2038537.93	2410614.854	1249690.723	1786741.19	2280580.707	2947063.7	3604907.29	2938770.39	1984570.631	2869738.161	2172089.475	4344670.028	2076502.693	1718517.75	3204029.1	1663081.086	2686381.05	2824013.592	4061417.717	3248615.358	2059288.584	2459622.937	1295829.456	2832884.24	2380951.606	1968465.385	1932065.4	4343807.541	1167512.944	3325744.635	1614090.58	3447082.6	2246881.142	1692463.628	1828092.066	2560211.172	3528798.95	2089499.002	2653569.491	2727904.562	3075881.566	2498617.319	2410743.586	2884049.076	2943015.738	3149909.111	3430705.232	1900344.541	3513627.201	1551436.64	1011837.776	2057154.599	2202043.878	1924700.819	2914481.937	1692150.137	3426120.926	2707294.427	2521855.808	2337838.682	2458419.572	2266680.886	2822623.863	1988372.768	3134502.681	2546043.046	1735211.008	1818825.958	2162118.599	2588455.527	2010465.145	2160728.83	2941162.554	3191823.457	1917038.34	2156638.888	1852935.631	1689329.565	3414837.624	1479969.738	2351228.092	2374239.017	1706646.24	2709710.255	3532981.374	1896979.722	4012432.879	2598699.525	2918250.203	3026338.589	3189769.666	3317251.023	2376324.73	2386565.436	2847430.321	2212939.073	4288303.821	3771617.663	4132434.443	2122465.224	1801413.711	2887021.5	2546611.434	2086757.863	2977645.792	2906557.349	1659611.282	3164828.777	2488030.764	1488701.721	1674315.373	3845924.773	2412212.525	1350737.438	2462899.865	2989242.051	2291089.966	2597085.739	2301677.453	2054352.268	1386319.384	2177003.66	2609395.787	3250364.048
C536	L-Fucitol	166.0841	C6H14O5	Others	Saccharides	13074-06-1	2	170016.7315	135447.1387	161823.48	149063.48	136237.4464	92086.66625	134297.89	153231.012	120136.3887	119895.512	112790.2188	159079.3453	113152.2315	57423.48	126257.845	221893.044	81028.8968	122542.002	114047.1787	121650.012	107349.7315	240235.345	92337.09375	157864.6773	87583.48	90069.012	106384.845	126834.1662	177655.8438	85263.48	157268.89	109868.3438	152028.9815	206976.6773	120463.7912	166682.1787	173565.2188	229194.0107	92783.502	139574.9163	130916.2925	135062.6773	60209.345	69871.9452	60316.5588	83589.345	193723.48	120949.6452	152242.164	70793.9815	125159.012	107143.9163	98256.67867	96569.7615	114672.5412	197678.3453	141454.845	102533.0425	116880.8437	80077.9815	150803.48	101687.0938	188445.8887	92408.34533	40603.48	132139.344	139524.6507	77727.71875	92665.79125	107583.344	111991.7315	99435.1985	164477.2912	70335.306	78934.67733	81100.7925	44682.7315	82559.013	146213.012	105608.9815	113462.3453	108198.8453	68357.2925	120463.7913	92086.66625	177257.2637	112356.0413	99955.345	108115.2188	106769.4815	149999.1663	82437.97125	204111.512	81391.31733	89942.2315	158405.345	175318.3438	151769.2925	206218.7925	85460.65067	92803.48	88830.84375	88849.845	121030.6773	157527.7913	156603.48	151476.512	208043.3438	106444.3453	235130.5413	116880.8438	135101.1787	106939.316	150848.6773	55812.65067	122780.2913	122819.6787	330832.845	134475.8464	110457.984	198645.6663	116819.1493	199862.0938	117465.2188	136942.4815	94003.9815	113398.845	107723.0412	193156.8887	83135.31733	132691.6452	184357.2615	108168.0107	123938.5413	152653.0452	91063.48	115251.6662	137213.7637	186031.3173	207956.5425	116321.345	91063.48	149988.6507	110381.8452	89789.5425	156369.5413	172980.8437	109226.2464	104827.4163	182905.9	154400.6787	132826.96	149611.89	140911.0452	143288.8453	186421.4688	76458.6032	80489.85	128183.48	289204.89	108138.345	118074.845	79497.845	113069.8887	180747.4827	154051.002	152556.89	168424.1387	100773.5413	183773.89	113374.5937	122201.1663	111621.4688	118141.012	67241.344	151358.9688	116014.2637	287376.8887	115830.7912	158494.512	121314.1387	82943.48	67137.63875	190512.0937	114014.6773	125123.344	127399.5938	130905.8437	227801.8452	196495.3173	114725.806	139779.8453	179650.89	163747.89	190075.512	75983.48	73693.67867	91023.0464	136214.2452	142078.6773	100333.1175	129837.6787	150575.8032	110134.5463	95992.51375	156762.7452	95149.6476	239483.5956	73637.09375	142704.012	108198.8453	95133.4464	139938.013	160124.5938	103440.2188
C537	"L-Gulono-1,4-Lactone"	178.0477	C6H10O6	Others	Saccharides	1128-23-0	3	42995.66925	37912.581	61495.91925	61433.3232	44986.38788	61735.9115	50710.95875	58750.686	50997.56025	31269.985	45851.27013	35971.9115	38549.45812	33288.1615	48873.06025	42412.9115	62184.576	42315.01275	45628.09787	49384.91037	75154.6615	52026.83667	46613.28222	48392.41025	47892.79425	38888.64	49327.78333	NA	57748.69222	61433.3232	40997.45763	64727.20763	32110.7225	46891.82475	53334.04425	33709.7232	61491.33263	46170.1615	41676.24037	40232.9232	50103.54133	55243.4025	47469.20762	NA	39379.52012	46395.95875	47317.1256	43719.29222	55035.44213	28817.3232	51157.71222	46712.35012	49833.23657	NA	52439.64633	45590.1904	47160.00556	46706.9115	40110.61556	57142.91925	61199.1615	45493.581	39065.26388	42412.9115	42446.66813	38455.164	53934.7065	39877.6656	53147.9115	41876.1615	66915.68	46659.38888	21542.154	48829.13888	50994.97287	42412.9115	62272.6615	NA	63346.1615	45096.6615	47774.84788	41510.08457	NA	48317.1615	50909.664	47474.70875	33035.80571	40997.45762	37183.93413	55294.9115	29899.022	37209.3652	51537.6615	57716.14513	43168.52113	NA	31632.576	55187.39612	40784.0244	58262.20875	59368.01444	44329.7664	67008.576	49390.6615	49655.01444	47834.522	69250.4115	NA	52074.4115	59813.5244	40469.3415	60951.79425	35065.02012	50485.5195	NA	61406.04017	46956.95889	45415.8652	67473.54312	49200.02667	57680.41812	15556.222	39923.45875	18937.164	47249.16262	NA	48014.08375	55496.704	44496.576	60213.38775	42552.27	41558.09038	50584.35113	46260.41925	44911.656	42961.09888	58522.22512	50159.9565	57832.988	56184.71	58794.77013	43925.76513	39571.91444	51110.53525	39099.2072	NA	NA	34690.68	36600.813	44718.5644	42887.0195	54169.4652	40906.18525	41243.139	62758.21613	50374.83217	42857.38775	47234.45812	51770.78333	33944.5644	45851.27013	50171.58375	26927.154	35328.2228	57501.51275	39534.86425	47959.6656	NA	53965.9	48436.63125	64564.3652	39698.97387	46608.50333	NA	48814.09113	58255.45763	45317.20875	56897.50222	40964.19975	42956.16025	46116.95138	55241.664	42109.5915	60412.70762	50029.03638	49886.71613	50316.59262	33405.8644	NA	40687.88775	49477.69533	35879.76175	45311.95763	36115.1652	40242.66137	NA	35249.5064	52327.63	42412.53525	40167.45038	53401.64513	43179.68111	41381.13444	44144.68275	39498.582	50491.33312	59540.34113	45032.576	45311.95763	41061.84863	42961.09888	64790.01175	NA	39918.83263	51783.70762
C538	Maltitol	344.1319	C12H24O11	Others	Saccharides	585-88-6	3	33171.0075	27585.68133	62953.777	40876.1	22542.26	23476.27467	30728.016	34422.5075	35535.807	35255.777	26917.61625	51953.88375	28162.5045	47197.5255	33976.608	45957.277	39224.97	19436.848	26293.00875	28409.94	32114.94	37591.1375	18112.998	51309.7172	23476.27467	34429.38375	35871.0255	47845.777	24554.277	28417.608	34480.848	38819.639	26293.00875	55778.6375	30042.2575	43859.27467	22640.8675	39662.277	17748.06133	37682.608	52579.75875	35211.94133	26148.2688	29115.639	25823.5285	40032.639	42792.7755	25016.1	28895.536	27792.44	35202.56	47917.139	55377.7755	37606.639	38917.94133	22674.7785	28509.139	27799.94133	35487.6175	15741.277	45712.27467	22029.1175	35992.723	27539.2575	26442.777	66988.26	14553.6375	32809.476	44162.56	54770.277	24093.94133	39110.9745	24711.608	23254.56133	23295.277	77401.5255	31478.777	11963.018	43297.474	28353.78	31726.1	32737.777	17334.476	30888.27467	47845.777	35372.223	25476.639	33953.6375	NA	41994.94	52617.476	41475.476	26619.476	NA	16379.139	35787.139	43440.3675	72396.277	53511.277	40336.223	68619.277	42828.6175	43065.139	23924.777	24143.476	33996.777	37000.139	55579.94	40905.0255	47347.5375	37142.476	33349.94	46429.952	25173.7755	38241.848	22444.139	35255.777	64239.8675	55377.7755	19442.016	72783.639	35480.36625	45957.277	41388.608	28417.608	27690.7755	41001.74375	45327.777	18258.018	24823.723	30219.777	40237.476	26442.777	20139.7755	35871.0255	24762.476	62324.277	57733.4745	34751.723	33803.50875	27061.5255	12588.7755	56023.4688	46946.88375	36307.00875	66101.277	31127.4688	54253.58111	45957.277	46496.82375	47826.7755	35285.476	35744.016	42557.2575	22858.608	48334.3675	23831.016	16364.2755	38403.277	32269.723	29714.476	22234.94	56197.44	58300.51467	30324.9375	37138.68875	45035.5555	21100.723	42197.0285	47030.016	NA	40153.27467	42828.6175	61503.072	18534.94133	52317.23175	29706.1875	63315.18133	43859.27467	44434.5075	39495.51467	82468.277	45763.848	29644.94	40921.277	39662.277	37064.94133	30849.277	50911.75733	40224.9375	34266.807	38917.94133	59570.016	52767.4745	26432.2755	39535.608	35871.0255	56029.277	40937.5285	38177.0075	23573.2215	20818.5345	52746.223	43241.608	32890.223	32108.277	30054.26	30952.476	44884.639	38177.0075	16629.558	38403.277	25173.7755	35285.476	37591.1375
C539	Maltotriose	504.169	C18H32O16	Others	Saccharides	1109-28-0	3	17280.39375	NA	NA	NA	NA	NA	17450.026	12146.57817	9291.654	10069.026	12843.852	23489.026	12082.026	NA	8628.154	11298.8925	10636.64375	17337.852	15437.026	26171.9	NA	13925.652	NA	10618.654	14599.654	6043.026	11411.026	27515.026	16779.026	21065.4228	20571.154	15051.06667	NA	14095.026	15437.026	21234.654	29450.23467	NA	NA	NA	NA	14766.026	11780.23333	NA	16359.4	NA	18792.026	NA	8641.8925	16132.032	9398.026	NA	NA	10072.7775	22901.06667	33841.154	7387.7775	11126.06667	NA	19030.80375	26173.026	NA	NA	NA	NA	NA	NA	NA	NA	NA	8628.154	NA	NA	16779.026	11945.654	10618.654	14620.1425	NA	8056.026	NA	11559.852	NA	10740.026	NA	NA	13424.026	11945.654	21266.64375	6637.654	NA	23259.76875	12082.026	NA	NA	22473.852	12618.656	22561.654	25912.3925	18580.654	NA	21234.654	11387.1125	13485.852	9955.154	NA	11945.654	12843.852	35831.654	NA	17917.154	11282.154	15948.6425	NA	7707.852	23225.154	14095.026	13424.026	32212.026	9511.432	NA	8727.026	18964.124	NA	14520.53625	35218.51875	24831.026	14588.652	11126.06667	17944.76875	20134.026	30096.9	NA	20805.026	14766.026	21468.0245	NA	29528.026	21898.154	17450.026	21906.4625	12609.154	17253.654	14766.026	NA	18580.654	16779.026	15618.59733	13424.026	16785.2775	27515.026	17253.654	17972.8505	22818.026	25511.232	18792.026	10275.852	18957.0216	25912.3925	17281.91	13936.154	NA	26542.654	24057.02433	14044.4216	24552.154	11282.154	NA	35984.4	24160.026	NA	11945.654	NA	17013.56667	14599.654	13347.81333	15411.852	14766.026	41070.4587	15411.852	7385.026	11235.6204	29465.23733	13742.73333	NA	NA	18792.026	15618.59733	15284.3925	21898.154	7474.432	NA	10618.654	11780.23333	30870.026	13971.65	14599.654	NA	27473.232	10275.852	7065.852	16108.026	11963.1425	NA	7301.154	12906.432	18954.3204	8621.652	12431.232	13291.6425	14095.026	10275.852	13936.154	13936.154	23555.23333	18976.06667
C540	Melibiose	342.1162	C12H22O11	Others	Saccharides	585-99-9	1	772464.783	610972.843	919786.371	647812.506	469659.004	703292.5613	756318.579	738496.655	760437.3725	681223.497	565610.0048	804006.213	604116.333	646502.7765	861283.0473	894682.0538	372010.118	595488.7125	709963.8097	611860.853	961408.422	733190.9395	437608.0425	662846.688	496769.1585	560582.4683	825550.221	628582.5352	697920.355	509735.9442	583712.509	604451.8225	457783.7513	974266.38	567496.074	801360.48	489842.907	572983.49	515561.0625	890707.248	894680.802	654815.46	425908.7385	549495.32	513497.7375	675635.155	786460.5615	447270.084	1329955.293	653080.257	587827.731	809909.183	562526.847	566771.693	651511.094	921767.594	695707.61	811085.2773	738694.744	415735.649	466574.282	579855.802	699087.566	396730.7985	552303.988	1033284.984	416052.3985	402110.8827	826587.82	448592.666	969813.995	704677.883	744956.4282	566382.472	452354.923	952965.52	806696.696	354588.448	628262.1207	640577.2567	620336.222	928653.508	509838	706991.1493	749879.1	786671.141	606070.5927	644134.5625	601840.8113	920741.9	990510.696	720007.47	694837.94	517468.468	817734.255	591642.805	1198072.265	1262251.247	1152425.172	754292.21	873963.744	602127.5	916790.252	637065.331	470099.7195	688224.796	713810.992	1207132.262	1210333.159	1039086.318	1031016.304	624969.8415	723485.4125	402113.403	1301825.018	824005.7452	671817.715	836809.1545	1070284.04	591091.71	1385878.465	902783.741	804528.4	671379.731	636716.742	504798.7825	786043.408	1001100.145	1289833.35	904512.778	836315.93	1375582.029	923631.556	731628.82	512396.352	723371.6693	925171.114	1242316.35	622483.5375	981176.47	635736.309	340529.8252	546362.4895	864856.201	493625.2305	1031258.231	579491.64	762267.935	1518896.629	676643.1525	742319.9325	584934.0393	543963.084	732839.6035	520323.64	1007566.369	693146.036	603438.165	707073.285	572843.0775	730086.3288	433696.185	787093.905	796846.831	515955.678	685816.312	910528.0707	646166.127	538730.973	1230745.824	776542.387	755322.801	672648.8827	739865.568	598478.5635	1200925.594	765438.872	1000078.734	889286.8187	931094.709	1274602.725	1065214.72	807677.892	646633.7212	679980.642	1063243.126	644642.6407	966636.279	1601297.199	1105222.387	567490.176	803982.0675	806176.536	986661.1087	672339.7815	797772.8205	662111.952	565007.3477	1013349.617	779771.722	438810.7485	440452.1345	851054.0483	760292.922	610971.602	718381.623	543903.108	850714.7707	1071053.765	793865.2465	605592.717	678531.755	672466.145	1158693.055	548854.995
C541	N-Acetyl-D-galactosamine	221.0899	C8H15NO6	Others	Saccharides	1811-31-0	2	566824.2867	546002.84	675873.1954	544757.3871	443801.4263	465173.1383	563502.5233	504308.386	450119.1371	406196.84	440141.5067	455757.624	539150.8967	419470.0078	563892.6189	455889.7621	453402.4086	445936.8972	435692.5746	470700.1954	591964.9097	404509.8967	475787.52	409006.442	414863.1432	421154.942	523615.3967	497002.42	469550.7669	520700.3383	483866.84	412657.7779	403221.442	473252.8883	363744.1762	406772.1733	490913.01	433896.62	445319.5067	584574.6996	488729.386	356951.1251	527067.73	444211.73	466651.8967	354538.5525	436269.6371	418957.7621	338169.0121	432194.3383	404531.1996	355622.4262	384334.0121	454524.84	440075.52	464305.5067	365418.7311	497438.2621	410263.7856	334737.9263	503476.7856	345244.8411	375165.0633	434963.5067	419534.8246	426950.0633	463095.3163	468976.0526	436689.5067	418278.84	363657.2856	459171.8411	391682.5234	415150.7126	380002.7857	296960.6863	397971.5513	484493.3383	516710.73	428767.8246	334157.8013	484427.52	691154.2435	495421.3411	565285.5244	517861.5078	518384.9211	505885.8567	529895.7669	519587.6744	354462.1763	303991.3012	565043.3967	630540.2154	406093.3012	490517.7829	357362.8012	441292.1733	634090.0633	457144.3012	610172.0233	392339.3038	402713.1889	444838.0526	576031.3978	421843.0746	415402.1733	409574.0512	342279.5512	465527.7669	439669.08	443126.4133	429910.01	505127.7779	329430.9678	403458.624	470246.1408	453667.8365	447088.6744	281536.9375	494362.5233	601587.5244	474984.2633	396857.942	363287.0625	519012.2856	431553.1744	385642.4811	442485.5633	395428.9495	376447.0526	275044.3025	532703.1229	400491.7621	474355.7621	453417.9522	386065.1996	498298.2856	489996.442	494270.5633	473656.6602	297029.8012	371712.73	440933.8883	458596.4522	286007.4263	439338.0006	281946.5512	342976.3978	372446.0512	483866.84	417743.8411	542027.8411	415495.3871	552095.3994	502852.84	458056.4811	436447.8037	339959.0512	402032.4263	317334.1762	212738.8293	431181.0984	415977.5067	432128.5633	399385.98	508889.8151	443636.3411	395070.9262	315013.6762	471470.4496	522117.6602	366644.8013	552836.2621	386791.9097	335898.1762	407386.8411	396857.942	317079.7432	382888.3012	470679.6189	498395.69	471255.0078	598415.9522	417695.7435	295585.664	503476.7856	453993.3411	581689.3871	437307.0633	502374.5089	449922.1733	430402.3967	519943.6996	452267.1744	384911.0746	464574.5133	499400.84	581752.3883	400010.3383	464970.62	452267.1744	466651.8967	554686.3967	517861.5078	551741.8883	367413.8213	520688.1733	472405.7856	471209.5067	439626.69	493695.1744	453993.3411	473300.8489	492544.3967
C542	N-Acetyl-D-glucosamine	221.0899	C8H15NO6	Others	Saccharides	7512-17-6	3	960673.5565	981974.5323	1041514.581	930544.6605	910816.4182	807672.9488	866839.7527	847758.106	644061.6103	752885.4807	785366.6117	855170.498	848935.9997	816143.2393	828089.7223	699066.3651	751414.4929	749248.4829	734871.8347	810680.4771	880475.2168	751614.7911	914436.5783	684696.2383	729512.2788	830511.9258	867822.2805	846205.2646	851587.4906	869108.8047	606783.3429	638039.089	669373.1769	873845.728	806514.948	741055.9807	975320.4625	798923.4036	802455.1663	771221.0462	824280.9893	670757.9317	747739.384	735303.3683	697667.6327	724795.4082	818904.6386	674629.565	690093.9257	704959.8593	743879.8115	819118.4323	642565.0543	704727.3009	672233.7347	746180.6457	615648.8854	748838.9211	681868.6149	644405.6493	793696.5206	673004.2217	689881.2814	774151.6371	683791.6089	655916.8166	743819.3666	700561.7717	711687.1336	648119.0931	568226.9109	610735.0783	662935.1451	659595.242	668549.1677	723221.952	823566.0125	762534.9888	763151.6057	812814.966	881099.6257	813707.2003	965317.4173	946646.3829	1100161.622	1000155.731	795768.0626	831134.5343	830654.0974	839308.4164	746915.9271	844323.102	961613.0513	846485.5945	885979.5429	831778.1829	894518.9529	888328.9749	911612.9494	866976.2029	1001362.886	837973.7677	676315.7514	714874.4563	808111.58	678238.7194	699498.0953	847849.5489	704882.6943	772122.8957	735360.1187	822678.0223	730131.8997	827068.84	711651.3894	734227.9957	800051.682	797380.7555	773510.256	717722.9394	841834.76	831884.1143	727567.2059	776927.5071	913808.6807	804806.8971	731090.6423	649506.4534	774545.24	707528.94	597276.4191	591402.8391	684918.056	668837.5431	789339.691	701095.1066	660508.7837	762640.5793	813029.9091	838127.238	645662.7643	714766.41	679413.4354	785158.199	749905.5909	663392.7	749993.6583	670547.8929	679818.607	813858.045	903169.6264	687852.54	781521.7731	696395.0931	873589.3107	877857.7579	755994.114	877117.2521	740519.2643	845075.5321	721707.8091	661255.9123	687444.1007	663737.7843	709638.8091	740736.4793	827236.8463	685178.9691	798346.514	673734.7886	719144.5834	821786.256	802140.4114	893135.8851	776181.528	707630.155	781512.0857	916732.3471	618717.736	748623.978	761430.1314	833276.1914	728972.1977	971852.202	757809.0617	923370.2586	796803.2336	789318.3471	839946.078	713059.5086	817618.8837	800114.3257	732925.0826	981572.9194	743496.3771	655488.0797	826249.0783	765821.7283	884702.1244	765606.7851	747329.4883	687638.7463	700473.5529	797648.256	747129.7209	858530.0391	782833.8426	919731.3634	736021.6431	800541.86	712033.8879	818477.0511	757487.2217	798610.3277	799998.8374
C543	N-trans-coumarinyl tyramine*	283.1208	C17H17NO3	Others	Saccharides	-	1	3803.172	8693.43	28252.271	71485.581	90048.7605	17907.34383	8723.44875	1647.694	21129.33217	7077.44	NA	14569.78444	5435.43	151670.9232	NA	2150.148	9797.44	15223.2745	6036.791	12517.44	6510.165556	56094.39	163086.5232	16874.2005	36520.45	90716.43767	13023.59267	15673.3311	8699.6055	202065.6043	7589.748833	93932.18417	8537.77	16252.581	8152.0095	14654.01	32069.19117	59178.80375	18454.9112	3815.616	129844.3555	3820.3191	2783794.88	1089.174	23964.534	4367.4525	45710.61717	13051.609	NA	59864.45111	4360.283833	13067.4425	2163.24	2717.172	1088.172	14630.33217	7567.56	3263.43	NA	23292.081	17896.33917	6504.7425	16255.08217	NA	92618.33217	28169.9155	7093.7025	12463.99883	3798.081	30336.24883	9215.384444	NA	4343.4225	NA	12481.25933	2186.4525	137993.1055	7563.24	22999.16383	15239.616	21067.56	9207.409667	20571.90967	26056.1124	16683.38	35385.32889	7106.75	67651.51543	2187.276	8150.43	83539.7605	4892.5095	31025.6702	96103.85083	49909.92717	23292.081	7601.427167	NA	24333.53125	24904.8053	81774.081	24383.33222	22728.15111	10855.92717	10313.5105	59328.6925	7589.748833	4374.7977	2156.2295	10346.1925	3820.05	13019.4225	151934.5112	10843.05444	11434.6925	19504.58217	14138.609	26524.743	11414.10433	13609.7005	3739.4525	10267.56	4899.8244	3264.0985	44945.16317	9219.9663	NA	4889.172	16877.1925	10764.8283	8711.616	1641.686	6967.146667	8727.45125	13065.61717	20698.623	NA	240876.51	2178.933	609590.2593	55504.11717	5439.271	539.9705	79799.22667	8739.276	9795.18875	40784.0244	6969.3744	2733.276	91399.616	25461.99883	32055.3184	NA	70528.62667	117010.8333	75910.92367	40250.43111	NA	8686.2605	7080.6925	NA	9862.72625	12500.43767	75079.616	101439.5105	NA	5982.437667	16824.01	NA	154828.912	19591.616	12469.16667	4341.7028	NA	188991.081	182521.1655	40794.20889	80851.62889	3806.0095	14166.44444	5992.1925	8155.761	2177.43	22751.49556	57574.4365	NA	NA	8713.4425	64545.25933	8143.843833	87308.69	8155.104333	NA	4863.24	25466.4004	NA	16811.6052	5977.05375	209922.8438	23749.776	21161.84383	NA	NA	37508.53556	16819.926	NA	10346.1925	4374.91	3783.24	NA	13067.4425	3623.745455	NA	30365.95222	1641.276
C544	Sedoheptulose	210.0734	C7H14O7	Others	Saccharides	3019-74-7	1	72921.8312	70122.9485	85723.6452	54443.54125	96895.0464	78352.9065	61850.89	64302.5425	80092.88875	79563.6324	77357.292	53433.1452	105217.2144	52145.292	79254.6968	73969.044	97710.9485	100369.002	78204.5425	97482.2464	82788.1452	85952.292	79318.9485	104802.5096	67774.047	84987.9324	101734.1985	107308.1565	61748.3085	79488.4065	105676.164	96980.2956	90722.92667	80687.9325	48377.25	111556.0452	128910.4956	55010.292	75527.265	84549.4452	80056.1565	79861.17617	88265.345	110381.8452	52015.21875	110786.96	76343.0464	89255.9096	98348.01375	52718.292	70674.2925	86952.7096	89192.0312	56244.3564	67523.5452	82229.0476	104093.4968	78104.6464	138362.306	NA	33809.292	76876.0956	114392.6032	99210.044	51084.7452	68762.292	85745.5956	91658.5956	96291.4452	61888.1565	NA	69270.7652	42016.9065	165026.292	72220.3452	69836.6565	68133.4065	70697.6985	85723.6452	64055.4512	NA	49323.294	75514.1565	69871.9452	227671.1565	148660.164	73981.6452	154336.3956	79241.2956	72675.4065	60478.3452	98787.598	90420.4452	71303.45	91938.405	50655.33375	78058.6956	96307.8464	116272.6464	103905.6044	112368.405	88746.96	111443.211	95117.2452	68110.6452	80099.46778	57352.294	110786.96	48134.292	29798.292	80358.711	121478.292	115882.2944	68110.6452	83447.502	96719.66625	155498.405	434181.8564	49853.292	96959.60967	76450.29125	92841.1956	101119.3956	141526.96	62837.4464	62250.2464	99713.211	97298.79125	77617.164	89963.292	155588.5452	112626.3338	96862.044	65381.294	66936.4452	78091.3452	71054.292	266662.0275	80543.8032	68189.292	120240.711	67043.292	85760.0968	97465.6452	38393.292	97465.6452	60534.806	92784.6464	104510.8452	235319.3344	75755.8464	70371.7956	128228.45	74492.292	126294.273	104607.9485	41831.292	88674.2464	107167.0425	81043.1985	91082.6968	94546.96	64403.45	120004.164	88786.765	113789.502	111493.7044	73528.002	52145.292	45842.292	29980.306	103336.6452	127023.1985	106586.2272	59062.0312	59156.7588	86790.6985	84174.765	59072.794	90948.0425	91092.765	94423.5425	104482.164	72996.6985	83087.292	105097.9452	83971.6956	86928.1956	111649.0233	113600.8912	61313.292	78358.2324	NA	83916.9485	83962.3452	105604.9065	69908.292	97482.2464	89246.2452	NA	93153.45	104964.0384	114631.164	77807.1372	87169.164	94759.09283	73419.5476	78058.6956	31517.292	61393.04125	75638.292	119795.8464	70122.9485	71847.1985	117166.96
C545	Solatriose	488.1741	C18H32O15	Others	Saccharides	528-40-5	3	1643886.68	623606.223	822119.2747	562229.139	1402977.169	1064244.608	943163.723	673218.639	2059566.561	1242236.436	844858.139	1347135.941	1303160.454	1189013.275	1530375.385	1500765.5	1422857.491	1221248.244	1983318.076	2091248.17	1915604.795	1703281.2	409384.288	718968.9413	1003713.275	1393117.686	941898.139	2252458.622	2016997.912	1340384.408	1729452.636	1291113.561	788765.2747	1405046.213	1105628.275	2616873.308	2264355.62	1067332.941	611226.3947	2065681.163	947356.639	1299569.431	483990.639	1119375.808	1112079.613	1145651.814	2437679.561	832728.139	708900.2245	1096105.616	546756.474	2605406.902	1223462.166	797551.139	3356468.04	891319.3905	1294406.856	1084626.656	1612301.405	680673.608	2210818.652	984959.639	1299701.782	984167.096	1207406.857	1431306.063	994859.8875	1180878.68	993739.333	502167.9413	1156572.453	1353816.022	716280.139	1541427.485	1113589.277	1947793.95	1254321.556	958421.818	1097450.833	972221.13	1482212.832	718968.9413	1111084.953	1192264.978	1367273.198	2520050.301	781842.777	1345936.837	603471.139	1110283.825	1200038.512	1076609.067	1903556.048	419243.0555	1559962.881	1153315.848	1733898.038	1908804.699	1690069.318	721024.723	1069081.09	748722.3875	2212445.285	1712912.477	897017.139	2554732.584	1308879.214	1898497.337	1307605.275	1713206.023	1400466.454	1449781.32	2055848.312	1133912.275	1961505.633	907042.584	1449526.988	1315311.513	1591681.208	1220147.016	1624768.532	829089.139	1778034.25	891950.438	2071891.336	1142551.878	2007539.26	1289941.803	1336460.202	1269559.061	1553798.415	980961.488	2396405.226	1635915.58	2779422.42	1279599.765	1621506.835	1090538.566	1490326.883	1963357.268	1255444.083	1082774.608	1321752.728	1833301.375	1211866.941	2185386.84	1687494.278	1382362.699	2254344.976	1415680.678	1112739.94	1861532.876	2441535.492	2324335.257	2480912.521	1899148.006	1308082.255	2110862	1868611.615	2248304.808	1395039.762	1055781.857	1232347.412	1374191.566	1380454.597	1447887.11	1171916.012	2029145.449	1539519.597	1909506.844	1126548.277	1309304.922	1220149.422	974685.756	893768.608	1383044.405	971706.723	2346876.197	1317963.316	1284751.608	1167993.211	1881049.188	1483801.65	1082073.8	1292162.373	1519362.409	1194006.492	959091.1375	1595352.627	637877.723	508193.223	1100686.941	818443.223	2120113.274	1784736.785	1338950.623	860182.44	1345028.109	1578228.065	1373213.828	1093416.396	421203.448	1022990.228	1869621.41	1540716.392	1486211.676	971238.9427	1320354.139	1001226.31	1894091.009	1243649.94	1805967.514	1229601.1	2348406.375	1609095.412
C546	Sorbitol-6-phosphate	262.0454	C6H15O9P	Others	Saccharides	20479-58-7	3	19430.676	31573.713	38740.436	78437.25	35944.2525	36916.2405	25570.6275	31761	37980.973	17967.05	35642.69867	32748.62	21365.24	25412.778	18459.8235	30298.18125	27334.937	26230.05	21373.5165	30310.301	51486.9765	39460.272	18944.682	42129.644	62658.0255	43986.25	26062.6135	33030.5595	29629.737	28570.548	21859.5105	17212.613	34372.11167	47455.704	24288.345	24763.43	46869.99467	32747.4775	26218.5	40566.7475	33029.424	24929.35	22460.29867	22344.369	21097.918	50516.124	27202.038	33413.244	24021.306	27376.86175	26717.1795	34372.11167	27111.33833	24414.26133	45172.461	26231.1855	24171.492	31573.713	24586.6555	36792.74667	36915.105	28318.76267	20887.5225	33014.88	17436.196	49058.142	30096.36525	33200.24533	34001.412	92770.35	36916.2405	39326.615	24697.976	50978.525	38739.304	64401.744	14574.1425	34487.406	43715.6145	34487.406	38857.9455	31086.5835	34973.4	37401.099	29630.8725	39338.189	30115.731	75163.375	28319.904	64866.00167	15155.2625	45172.461	47115.3015	30271.584	33403.405	21859.5105	39047.302	44200.473	38859.081	30393.066	154384.97	29144.8785	36307.138	42116.10667	25744.056	18575.9075	38740.436	59562.76267	63433.884	46002.216	47842.582	35443.78	74209.49333	48572.148	34314.678	39343.9395	40298.175	197054.7	23730.116	49296.905	36915.105	49510.638	39547.2	49799.79733	58771.209	40315.9275	39250.34	35098.024	28311.633	62144.655	29629.737	29775.536	38355.055	44200.473	40801.9215	22831.4985	52766.22167	52941.762	36916.2405	40574.4815	48320.209	30601.725	35154.208	36915.105	42024.51975	52943.823	58021.0125	40077.7575	49521.185	87487.527	40314.792	51000.9825	33540.77	38841.97	51972.9705	70035.526	32544.5655	31572.5775	34001.412	47094.555	46220.2455	26986.616	30280.425	46220.2455	49311.30667	59718.025	34536.37775	38560.095	37401.099	36429.111	39338.189	54861.36	28520.2445	42725.94	24773.2035	25871.034	49817.671	71514.825	31959.756	27688.032	29775.536	18458.688	25980.966	29295.744	17973.8295	32446.516	40446.087	21637.0385	48572.148	22831.4985	38473.304	23730.116	61172.993	26854.432	23802.351	68422.04	55727.3465	50513.853	24287.2095	15059.001	48087.2895	42258.768	20997.10933	34487.406	31087.719	22820.31	43018.82375	23530.818	29996.2025	33987.575	23317.4925	25745.1915	48530.808	24175.57975	23189.551
C547	Trehalose 6-phosphate	422.0826	C12H23O14P	Others	Saccharides	4484-88-2	3	26827.32583	33230.89875	46069.7805	30592.485	31860.6777	29920.31982	28286.549	34399.3221	24353.565	29409.3888	28902.93545	33145.0675	28884.0736	29578.56375	21456.22909	33476.753	28455.24545	23237.1448	33143.925	36710.84375	48411.739	41528.754	19083.303	47905.935	30635.84288	24471.2075	26049.611	32132.694	31388.89545	32841.27	29639.67825	29305.9795	23701.896	40367.552	29363.3925	32255.06	31204.792	21721.92	32726.64775	46142.55975	28695.03	28473.385	28224.70773	20025.39	30487.92864	40193.32409	43819.445	26693.593	36861.3724	35153.2755	44235.6655	37949.75167	34033.9325	27774.73364	41621.2896	31685.18973	27324.86527	33537.20067	24577.308	24683.56841	18496.09425	34096.07982	33294.1712	13863.82833	23359.555	44311.59745	40013.45127	26874.785	42956.04888	11279.0385	26170.8695	38798.73653	27138.945	24694.954	45882.375	50279.85725	35767.39	35701.16025	39808.71533	46620.82282	35539.35	27262.93467	50762.3135	39364.8375	30697.8325	37883.14883	45206.7	30081.77	29197.22308	48868.4075	37815.6075	33967.1475	58366.77	46891.28833	48711.83745	32112.203	37040.125	39603.144	40937.57691	36149.7745	57916.94933	31664.82142	21104.512	39140.3385	31989.1705	23357.27	41163.97473	45830.91927	51502.605	62425.10117	32064.71545	17663.66333	26938.692	40212.25975	29408.418	26028.435	39586.498	89584.71517	32255.06	34121.882	50763.46192	63208.52677	43115.7485	36804.56564	37148.3875	53667.80767	56876.37071	43212.64273	46893.506	42429.226	41372.21	27157.63725	55019.43883	16770.26	63025.18031	31810.6275	37815.6075	45538.9385	64262.624	36265.17125	41092.22855	33703.02909	32292.18136	24356.83925	47745.83506	33152.32025	53650.44706	35368.3725	50212.4832	31272.452	35860.52255	41549.99227	35378.6664	51159.94873	37814.465	43101.446	41553.664	46629.93464	45366.74325	31428.474	50964.906	40406.885	49611.3594	32432.59091	32842.0302	34977.531	19762.092	46099.448	36628.53627	56420.12	38383.74273	43820.5875	39060.86418	46235.70245	29097.465	67998.417	61650.77735	52302.386	39833.62982	38260.04	41071.371	47155.545	37422.09564	33871.14564	19800.6675	52181.23182	30082.923	35898.53564	45109.673	24475.42475	44401.02	49199.54582	37496.7705	38558.29636	35590.0175	42297.3408	24671.556	45609.27891	43820.5875	28918.96	31507.945	26107.23845	35875.02273	32178.25364	40863.09309	41118.6482	27284.27933	30756.275	24989.9295	37565.86655	28696.1725	28479.068	34579.048	41762.64225	38158.80855
C548	4-Pyridoxic acid-O-glucoside	345.106	C14H19NO9	Others	Vitamin	-	1	409749.072	205215.6196	231743.0125	314159.7495	208659.2382	140171.5452	139833.9913	253675.9232	118305.8407	287633.934	365216.8806	260142.576	103729.3547	148588.4397	203285.1639	283507.3578	294616.3903	165035.1472	395125.2105	200472.75	125021.3201	357332.1643	230625.6345	203651.2142	217629.6413	98468.58	586755.7706	125244.6529	255069.243	246869.4052	260949.0358	157935.0351	144409.9048	290538.5608	111002.6487	121040.6851	138065.8177	104491.2898	159001.4154	124239.9561	291397.131	171567.8942	150865.0316	172668.912	253140.0014	62697.33715	318444.5017	203049.3699	149637.376	185169.9077	328447.9879	33622.597	264182.3529	210690.7155	106559.135	261046.8242	165184.9015	75416.35	339183.6037	542638.0008	115036.9652	217909.6255	150536.935	170794.1565	415581.5618	126099.3792	233156.0347	203566.9563	336985.8154	146105.5508	176522.0854	209568.1771	120689.0229	271439.8949	159354.146	69202.32277	157549.4682	246296.7622	212386.8166	114707.4648	241413.2455	202122.9221	185357.458	230959.5535	183851.4786	217323.638	135043.8309	92115.62943	165908.2926	183093.8068	218938.3532	210417.2792	220893.9668	273234.4442	217411.9276	399937.7683	92915.99231	79221.87708	507731.436	182374.4654	129082.03	245886.6583	105337.3222	283051.5056	257728.1227	360676.7568	91837.82769	120674.4566	352933.6331	386292.1692	210520.3629	155785.7452	159211.536	134687.6825	165628.5371	215546.7539	288456.4312	347186.0606	317015.3135	129432.936	268024.5152	288081.8582	205617.64	205631.6357	265785.9346	220191.6226	269768.1866	329833.84	174613.08	143527.9371	145120.3985	144630.6806	241364.5155	157013.5104	238883.19	211041.124	75105.615	349670.4498	95852.75569	166081.2678	264326.8385	83108.452	141727.6395	336772.7575	129520.7086	211395.0004	147744.9582	196065.5526	142700.3084	243656.6932	252785.0215	180796.9514	177887.8029	133045.825	225062.6345	212599.6671	123610.5909	270283.3226	200646.6972	307670.3065	177623.2488	180714.67	143480.2974	499936.481	249532.6108	170073.1125	249473.6462	122565.6815	123127.2514	324035.7095	320527.5764	117114.1034	160416.4288	277869.7494	312984.3951	558876.2394	119456.8379	425211.624	472280.4191	296402.8771	270879.627	226732.7157	361606.32	301555.5648	199322.2	268858.72	241430.7834	243278.18	302742.4092	437033.4184	252690.5538	185088.022	92753.97323	150739.1151	74427.84914	272202.2502	179954.0896	191337.314	199444.51	109497.7062	283153.9275	196763.6281	411141.7961	309505.5307	249727.1345	182208.1616	219334.0029	338137.02	618043.4388	459037.0512	303308.3587	220323.3736	263863.9929	113529.892	363928.6675
C549	Dehydroascorbic acid	174.0164	C6H6O6	Others	Vitamin	490-83-5	1	1773037.44	2034971.614	2717400.774	1965789.19	1585448.808	1635873.273	1865567.488	1307986.417	1772503.715	1695070.44	1825628.315	2373946.108	2539812.841	1077831.69	1434890.814	1928249.524	1953142.414	1930218.68	2214384.108	2845083.69	1900334.808	2473174.115	1747133.814	2411654.537	1370207.94	1848970.08	1691681.822	2092124.607	1943178.155	2848300.108	2445893.915	1943178.155	3910021.949	1397881	1115371.357	2104397.19	2480650.155	1596167.857	1849894.816	1708786.857	2313031.107	1656921.831	1539344.322	1549243.273	1889286.404	2297404.739	1529664.808	1495994.108	2033844.821	1223461.766	2252430.748	1814908.607	2685128.108	1551498.155	1999228.108	1165690.08	1841422.115	1181065.774	1930890.614	2300036.607	1194782.19	1927729.034	1552700.217	2177562.108	1515313.19	1609884.273	3493774.253	2401139.323	1404697.772	1226546.523	2236938.451	1983889.466	1998966.633	1655734.299	1965789.19	1703011.524	1858223.607	2405940.821	1228827.763	2249889.451	1671776.106	2193130.08	2810135.825	2430984.108	1781700.44	1333148.915	2481568.451	1460013.814	2452137.247	1921190.07	1453228.357	2234796.435	1645980.107	3630902.398	1808761.027	1711961.614	2213186.534	2011491.833	1766540.19	2658326.867	2622011.44	4215811.272	2139350.615	3097754.523	4272483.312	1611328.107	2734314.772	3385140.821	3347873.106	3297003.524	1394170.201	2237951.773	2135105.045	3127709.321	2846218.155	2836528.327	2911500.024	3580281.619	3329489.773	3756069.035	2273325.69	3546898.951	3389954.119	2506762.155	3239972.107	3764436.951	4593254.737	2938080.5	2673170.573	3499382.632	2136970.08	2285134.493	2046250.08	2222470.364	2548810.08	2198890.08	2898118.108	2302218.155	3298424.964	3351558.766	2078329.115	3338316.414	2912123.214	2710288.8	3559345.153	3687899.867	2423083.426	3042133.403	2276193.498	2012810.155	2162420.331	2865156.124	5444212.911	2172250.08	3661547.04	2553476.822	1840199.514	3939950.36	3183354.481	1676071.614	3534748.075	4405071.127	3995151.045	2397794.615	3059617.073	2312547.916	2902155.26	2779330.214	4650289.92	3110750.106	2824458.155	3072970.08	2745712.239	3643907.236	3454668	2765446.526	3875297.401	4772062.806	2983361.339	3175842.24	2560474.466	2874682.273	2927066.406	3963069.985	2488618.081	3846139.344	3327550.087	3816609.707	3454971.355	3562150.505	2617738.155	3225025.881	2808205.872	2804148.821	1944010.08	2811875.523	2384205.998	4699300.32	2559482.416	3608745.084	2351554.663	2220018.163	1979850.217	2938493.931	2263639.966	3005127.36	3299247.573	2412870.515	1709090.414	3123020.16	2665346.916	2405088.414	1903879.415	2296570.715	2552143.115
C550	D-Pantothenic Acid	219.1107	C9H17NO5	Others	Vitamin	79-83-4	1	2378163.55	3640348.356	1452215.99	2980367.627	1615947.602	2100871.754	2232813.602	2282528.96	1586145.027	2235983.903	2043024.075	2036612.34	2193446.823	2123359.228	2539582.697	2381202.335	2343628.904	2394496.976	2011764.079	2357232.438	1718901.688	2295192.766	4302577.968	2789343.774	1756805.216	2395733.692	1720507.61	2034600.965	2155073.366	1826683.545	1764821.865	1586169.911	2025259.324	2272074.421	2361230.719	1407412.474	1712079.852	2361090.958	1879451.136	1657850.126	2449528.64	2720315.284	2409033.319	1987024.527	1845542.49	2139898.449	1972056.812	2633114.336	2203261.909	2639249.613	2330368.37	1502909.842	2392932.197	3032797.31	2003561.422	1330506.707	1856417.628	1990839.082	1817838.896	3627054.458	2131476.514	1848280.925	1443920.3	2506911.238	2314807.2	2354811.622	2101843.806	1790682.809	2404070.434	3179869.557	2316629.672	1993406.25	2397769.905	2462312.311	3045156.345	2451392.362	2345962.803	2455385.698	2616046.949	2416140.11	1100045.696	1516995.752	1987399.869	1792173.127	2024625.49	1809718.193	1857661.819	2277540.243	2133520.389	2983475.162	3263119.545	1820046.098	1775171.963	3926817.031	2334666.048	1502323.954	3082857.65	3011620.818	2211270.508	3531200.037	2859348.729	2713311.363	1367405.419	1766548.608	3252772.96	2440500.328	2231371.828	2939121.829	2093146.647	2827462.325	2839143.801	2945199.16	2257506.293	2044263.291	2216837.305	2150686.752	2313786.507	2057462.584	2808031.249	2457976.309	2688904.452	2660631.431	2198157.125	2114305.817	2647371.123	2525649.271	2030128.428	2269987.637	1872688.345	2553530.179	1989746.963	1613458.41	1957679.01	1479504.798	2177307.081	1925440.344	1835444.229	2472430.613	1748698.654	2268707.844	2536864.851	2583110.807	1706854.471	1803884.538	1850275.918	2106513.42	2691488.852	1477111.812	1778598.712	1770034.741	2753834.261	1845606.771	2267191.916	2220949.525	2201158.436	1855126.239	2116753.687	2463208.533	2207822.394	2293352.958	2427635.069	2739080.826	2689441.716	2246145.053	2663991.856	2700938.388	2225191.543	1499384.846	3072905.3	2718610.33	2863550.038	2463977.911	2330512.989	2391142.602	3521652.151	2213036.008	1956723.946	1820622.747	2009108.921	2556995.111	2381550.73	2293710.135	1701486.763	2570734.676	1454057.554	1947151.269	2480685.893	2274709.725	3528210.631	2729982.32	2703443.352	2442980.328	2429763.906	1426929.644	2027641.135	2265915.792	2258387.555	1120102.437	1857439.012	3178025.988	2256600.464	1572613.251	2336429.076	2225067.19	1900526.763	2223399.022	1475689.836	2772757.958	2032684.608	2567874.744	2297569.972	2059387.053	2444188.07	2106452.949	2361166.767
C551	Isonicotinic acid	123.032	C6H5NO2	Others	Vitamin	55-22-1	1	506313.4533	425954.166	149018.8017	385172.04	544691.337	299669.2133	530261.3985	900273.572	167949.45	200594.568	302792.799	1374538.817	179472.0767	294946.4595	132546.194	2438068.887	387603.986	320923.918	1106120.617	164361.5747	318523.26	146940.7282	306825.4433	832387.11	389785.848	514013.0233	473688.145	159470.05	553966.908	160304.6433	467944.61	1849253.222	205897.44	263133.654	322606.32	146808.3533	134010.378	193336.927	276363.03	455380.52	236085.9527	404242.124	374788.216	139720.702	212990.841	277928.75	240355.94	294165.652	188518.074	460611.316	134696.3267	355152.578	239789.484	700077.9467	769673.135	191874.004	451254.364	142552.08	1310542.86	611002.3658	514128.274	798428.2125	268204.082	200593.932	142364.464	3893149.26	262049.6933	338648.52	2580371.9	364592.008	171420.2525	1385885.237	211916.5065	1066047.642	234341.9803	1544310.592	622310.4912	248121.926	349265.279	250552.148	446944.435	218077.442	302096.938	456250.868	249984.79	306598.2173	269704.566	260864.527	493170.304	1689263.154	274081.2675	460661.691	149916.91	360993.9555	528972.0275	287936.44	482598.864	579633.6605	207881.234	2951943.83	446524.6365	476933.402	357406.156	196012.495	289418.2125	156455.2836	372633.485	171764.4233	233558.468	270681.0225	222511.5493	305975.2887	536784.71	264901.164	523199.565	285859.134	168042.6	155984.395	356602.818	388033.54	1483006.162	295448.0633	206001.4293	389702.786	351784.4167	135614.1967	220380.3967	444647.214	180036.4125	1121097.113	131944.47	173279.7455	160020.5967	158220.048	187482.984	692187.07	2741218.221	624771.202	130175.177	292939.15	1072871.239	168957.8795	183336.01	128911.9217	309826.7737	322554.6275	388571.678	4023012.906	2223743.236	165095.942	307819.292	297424.7325	325067.256	174523.1475	199242.6975	199384.394	422456.639	145761.0515	116119.872	518392.736	412738.062	819453.178	115246.607	443408.6497	200170.3865	334194.608	319277.332	490731.48	150838.1865	169925.036	205424.972	536785.612	185398.6667	404817.49	1510201.815	4798462.192	465747.5057	201017.593	439239.0683	431078.0063	222145.242	872975.224	204261.78	219114.701	291761.7912	311347.85	297353.9213	317578.866	417448.7955	1108098.062	3536741.12	1308885.586	6194410.947	265618.386	204709.1015	1084884.99	313432.0033	188442.266	378328.766	357233.7983	178143.2915	257910.496	333368.451	335683.338	536675.522	170213.1735	396743.39	303397.035	1134553.962	115624.2005	149161.936	131928.447	453226.9517	190601.516	838691.326
C552	Menatetrenone (Vitamin K2)	444.3028	C31H40O2	Others	Vitamin	11032-49-8	3	NA	210984.36	202755.7669	175050.6008	225314.6852	187326.315	172026.774	179666.1616	NA	185665.6985	203344.4355	179188.0805	191965.7564	170501.2232	203610.5886	221484.2333	200625.2049	205120.6311	212390.6366	198246.4678	NA	213903.18	202984.7784	NA	191244.9407	229268.2425	206219.9054	190692.7448	236467.077	183264.5229	NA	NA	213651.4286	227441.0325	234905.8631	226422.4838	NA	NA	235572.9351	NA	229587.072	174356.3167	236845.5705	225230.646	307665.822	248868.95	NA	NA	NA	NA	NA	279709.7865	NA	NA	NA	277496.478	NA	317711.7142	282132.1224	NA	NA	NA	NA	NA	NA	344636.3302	NA	249618.6463	NA	327623.985	221380.1511	227704.5144	193781.77	199468.1887	NA	264036.682	222768.6293	298155.6398	NA	247379.6	319198.524	241156.53	249045.9176	250464.4119	259136.6989	255084.9289	235082.358	243972.27	281064.3395	258738.782	261851.1945	223750.6035	233294.4793	208729.4563	223291.7535	246319.402	213261.6451	212271.894	277578.2502	227506.3332	281286.5282	266812.0719	261478.9182	253714.4181	219575.6392	248020.7675	318587.115	254158.0903	363889.1088	272681.3478	258442.0881	273041.658	268939.011	261322.47	281673.2846	298760.9543	313747.8575	308914.344	293819.7514	331424.4693	294174.8651	378439.105	308393.7604	293085.0497	299806.9387	268127.9584	249525.6429	267971.1016	321956.9916	361787.3073	323233.449	328328.8643	363289.4347	371998.5143	340602.106	346819.1109	326866.752	338854.6674	344053.7417	316207.0807	323405.9152	311652.1072	268659.534	266040.5926	306537.045	284392.185	260617.9455	300323.013	323469.0754	308543.0535	295992.7652	320102.2807	313149.1265	359257.2687	338617.763	348161.634	291659.9718	298965.117	316631.8789	368053.26	321907.554	282554.195	326191.4782	339884.6523	338981.623	319712.6315	318621.3	271853.4225	340520.5684	331660.9953	387284.9446	358043.9437	348697.3683	377888.2379	343974.9636	367844.4583	353327.4012	290764.5898	323623.633	347398.382	347856.2675	431040.8925	362188.1532	401915.4208	330873.15	403078.7567	389544.633	365465.0666	387645.1198	393139.072	370264.1506	407524.5127	234541.5202	252946.8283	246748.4468	251443.1825	242313.4037	235605.6753	214932.258	216389.124	219472.5985	201198.195	235549.5848	195737.1955	197729.6948	218807.9951	210601.7782	222552.232	232846.8588	246089.252	240402.3816	245354.5735	227646.8135	224746.8836	203796.9513
C553	Nicotinamide	122.048	C6H6N2O	Others	Vitamin	98-92-0	1	532296.4415	1160258.046	594857.5255	864185.14	714812.1254	1007615.623	853625.446	913371.8229	572600.2634	726180.5635	1095208.522	708833.0878	1082658.947	851688.1686	702378.0332	897508.542	627041.6426	833650.4758	430732.2026	655623.2041	742095.6283	1250542.59	770091.378	1071298.984	722351.6915	1068389.28	689540.7388	670514.5789	718371.7143	777511.2195	891093.3937	1042701.154	1134821.995	783976.024	712376.163	998577.1945	822146.4693	777434.7112	833331.1331	750313.2053	1234976.241	782539.2658	794384.6529	896138.6121	841589.19	696329.1222	402042.884	902781.012	725164.2948	716261.5965	896219.3345	788894.1009	1005939.959	1121173.507	1006966.122	707101.1717	1041140.782	1197576.081	1336203.002	940075.1086	503223.8991	754376.9977	1534409.581	1048290.131	949177.424	805149.2986	1374446.369	552951.178	968206.8406	728188.8295	1006339.902	662093.8772	943861.9228	593113.7143	571412.2796	560167.9738	589053.2289	561251.2795	952861.245	729636.8049	860253.0323	861366.7052	555751.3649	906236.096	902230.3345	896442.848	977678.2328	1042645.819	910282.7988	831537.3711	711500.6658	1183382.767	1059906.747	1054525.439	613452.798	983613.3298	926326.6682	1023002.045	1470880.566	729242.3912	933957.3	1159672.01	939742.2868	717940.3366	653467.9518	518168.9877	701970.0375	856813.9495	932935.8769	987462.1558	764030.6289	873924.1462	678979.1893	852807.9508	827500.9712	794969.4455	1036705.208	959141.7452	1005123.057	796282.812	981634.7808	1081230.705	904333.8683	812018.4998	501529.1346	750166.28	1044777.846	965505.3058	969978.0081	512633.0585	839373.856	1097678.554	710741.1037	471281.0829	697406.542	736144.878	865686.1485	1636180.203	795949.805	779498.7852	723117.7175	702261.0896	1133859.429	865640.5209	598469.5987	966352.7735	729570.5285	851185.3817	1026556.859	1041024.319	794411.1854	920162.5255	767549.775	902411.3458	1161731.024	1403763.748	834049.3538	1222573.655	1148881.727	650674.5612	831014.8703	832449.4304	760347.2056	1331417.346	1416793.573	1155722.67	685858.054	658902.672	947579.046	897598.1512	1074122.933	1036080.523	1153283.64	1240713.556	827146.8175	969860.0812	953478.5212	1405664.058	636815.3292	1104449.118	1287509.962	723316.971	964102.9809	1255346.728	1124632.156	1185575.817	798342.16	1475241.38	966547.8157	1250749.35	1290497.959	1040147.27	811490.7028	895985.7009	620372.3716	922710.6523	811292.3495	725238.9849	469384.2486	965371.0523	845395.488	1244341.131	984749.6388	917219.8948	1064401.987	674943.4251	1289911.628	1151103.376	861658.0045	1253035.049	831646.214	878923.136	956351.3427	611633.2911	1240918.983
C554	Nicotinate D-ribonucleoside	256.0816	C11H14NO6+	Others	Vitamin	17720-18-2	3	1250498.954	762296.6205	505860.432	127942.2228	437960.432	931923.8705	120240.91	353680.3705	118740.214	816641.9307	203108.124	95382.16125	140305.2862	251530.91	562758.264	137129.764	814126.432	708707.4307	788393.1205	858815.619	676802.264	225272.91	550130.4333	440737.119	851574.1205	325660.6027	928490.1205	803645.182	1202065.619	741473.432	639822.119	142378.6613	172819.4125	177626.0362	609838.1205	982056.6205	103703.3705	696659.432	198952.432	695681.8705	176498.8705	808014.619	718889.9307	860298.432	736539.5973	133394.0362	980240.764	612991.9307	1134143.036	177754.5412	502705.1205	1019141.121	588553.9307	765238.432	694622.432	1080261.871	163803.5362	140295.2775	152745.5362	924576.4307	798992.264	766365.44	212873.4112	965223.119	759139.122	528946.432	123718.2863	681946.8705	1118850.835	150064.432	677139.6205	405725.619	102984.5363	601599.432	327833.82	836722.1533	514379.8705	460294.122	829982.619	89249.119	928838.619	67129.0275	430385.764	500644.8705	98006.5275	714138.0973	184586.2732	140305.2863	419455.619	714816.9307	968938.432	169755.432	109895.7863	361823.5973	813506.619	633643.619	134254.0275	186542.026	120775.714	83277.801	56668.91	125589.5973	642151.026	1423678.803	318456.432	871633.026	712556.7862	111278.0362	1096590.432	1322203.119	712101.5973	967282.619	71300.432	86896.09733	702293.619	667282.119	87234.026	889708.119	451885.6205	293940.264	750116.264	94788.124	1207233.705	662709.432	746226.432	622886.3705	657910.6205	1081652.432	94386.432	394741.619	71581.8204	176934.9113	627465.119	796634.1205	1042693.431	740067.91	82250.78625	228093.4216	811211.264	176934.9112	882488.764	722202.119	61115.432	592093.432	1044828.779	791826.8705	1212118.725	300728.5973	68581.716	172065.91	1180107.432	1455675.132	828911.3705	1184181.432	167228.91	158426.124	550090.8705	669585.3705	760298.764	1317867.185	478700.432	720404.8705	497211.1205	947032.3705	168416.4204	635703.119	471794.5973	2266540.086	696368.6205	961912.264	690187.8705	105057.9112	94691.03625	65852.264	544563.432	477342.432	841653.119	951963.432	1098005.91	133089.432	240222.026	407785.119	1055591.264	689749.6612	1390008.724	168949.214	765050.5973	226791.432	2675690.627	143760.9112	136158.5362	416911.432	1278267.119	901020.1205	992459.764	573231.619	117385.2745	412158.432	608929.619	655240.432	805561.8705	111019.7228	817625.619	861148.6612	933297.3705	656437.264	233524.0973	1269342.619	1063737.264	767275.432	648970.0973	651729.8705	938831.9307	1134788.619	783379.0973
C555	Nicotinic acid (Vitamin B3)	123.032	C6H5NO2	Others	Vitamin	59-67-6	1	562851.4453	446260.1533	99192.94	351903.574	570775.6735	252768.4233	523006.1265	949075.8267	166046.3835	167447.3145	321568.965	1554650.86	137627.9	283398.2445	113564.506	2531482.317	320881.645	278104.403	1143652.181	155623.655	317903.586	120924.826	312042.4867	777716.4233	391552.4545	502414.3453	489808.263	122297.63	660341.572	118471.386	491528.7865	1886052.505	198262.575	258622.875	259922.9	104925.6033	87978.374	175933.217	239824.44	432680.052	219982.4513	396065.494	354356.112	130388.61	155624.766	304584.654	213105.618	307038.094	159040.827	407848.4375	115485.0533	349099.256	233084.016	733090.5833	714301.098	114803.8833	452846.394	150016.13	1334346.64	512594.687	489998.872	836190.6175	271847.439	168274.085	122326.534	3935214.03	231879.5345	317505.804	2808536.673	367675.044	135166.668	1384950.189	211936.3395	1103187.492	208549.616	1493642.546	539010.316	236581.6775	307837.497	226073.672	348620.622	222569.402	269886.518	394226.8885	246752.924	267783.054	268336.772	273652.941	488596.262	1804425.271	226423.648	461369.433	154222.156	325784.9715	466723.131	261825.344	464763.618	538341.7075	202591.004	3011880.828	448985.71	471423.084	354915.852	127398.746	290375.765	107201.436	321520.647	161473.2333	251660.706	228923.09	236326.9443	287405.7853	491050.604	281101.986	515235.315	286709.72	153170.424	107732.625	358576.3207	350207.388	1423714.996	303186.4	185248.1033	403425.814	370635.38	120595.1433	145459.226	464763.618	153479.6405	1161161.657	141374.7733	173207.4635	158406.6533	147211.812	143355.762	708564.08	3014374.776	548531.456	110470.5125	273593.9472	997627.5063	133751.8175	172447.968	92184.4	285023.035	294755.601	395364.64	4332535.108	2141837.923	160050.891	255165.878	222462.2573	294585.025	141954.054	169272.215	205394.42	395520.16	135117.8045	139071.176	493870.207	407631.84	747658.3325	100245.574	397054.3647	231991.612	308089.826	285658.89	427243.698	110106.4627	181805.24	222535.242	511029.904	193658.6242	426162.57	1659522.669	4970782.626	465840.397	161552.2873	396033.4363	415102.4497	243818.718	898987.4263	171046.26	184025.6705	242628.9492	303183.848	300555.465	287762.354	387732.6483	994096.824	3479333.4	1308177.816	6009303.863	245181.4163	183322.097	1059440.919	352921.4533	167435.2405	320357.928	299162.775	167541.7883	217311.644	323189.632	311595.9	505360.2196	138449.784	386645.9433	291428.08	1081975.49	92533.474	145459.226	142055.9433	478963.3117	159944.33	780211.058
C556	Orotic acid (Vitamin B13)	156.0171	C5H4N2O4	Others	Vitamin	65-86-1	3	68364.3516	74003.36125	74936.16167	88655.1528	65527.84	69522.9516	58028.3725	56063.2348	65468.574	53183.29867	80632.739	NA	68498.8248	64309.2516	66381.75	56864.8368	47248.3488	65813.636	58516.2516	75495.32833	34010.845	69222.63	74711.69	65103.18967	72140.32833	51585.67125	61870.7488	58396.632	78194.25	65467.8516	54267.6225	53997.1488	72699.495	65946.41625	62765.2368	63752.82833	70306.7488	56778.3516	62631.7435	54211.28	62277.56	69547.995	64490.37375	75315.9516	81685.2596	68069.25	90181.25783	63150.6516	65715.258	56835.552	62145.14367	59977.94667	54225.96533	61687.196	77184.3295	58539.18	63569.25	50578.8075	56246.7488	53369.55875	61992.0516	70323.38117	65427.48875	70090.1504	NA	63193.66167	68401.54625	69744.3488	54674.2575	71021.995	65447.2368	74661.636	65725.4815	64064.32917	62833.56	59105.7528	57042.82833	48357.8725	79421.3295	61156.0368	69505.56	55962.68125	57260.68375	NA	54719.2368	52444.416	58928.30875	67506.75	63237.29783	73898.2575	69334.1605	69744.3488	45561.28	48350.204	49876.79125	65210.43375	74805.9488	71369.3508	45041.56	62530.86125	58372.43375	70306.7488	60745.9488	48922.55875	43507.8465	62833.56	52037.2368	57968.29625	60619.6368	49583.612	69756.75	62228.8368	47655.249	63773.045	60488.6568	52965.845	53636.4356	49857.1115	60619.6368	69900.6592	72269.30875	72458.92125	66083.04625	69573.435	44519.95733	60083.2368	63764.54625	62310.336	57986.69	55683.74	70571.7408	70017.5168	59003.7408	69522.9516	65557.0476	68824.6396	55037.18375	58414.258	59701.74	NA	81569.25	49733.18	69858.2888	63419.6488	61156.0368	78674.06083	77499.19	56464.75625	78090.9408	73609.8912	71149.009	74684.04783	51402.574	80390.6396	58157.495	66932.3488	84615.636	74154.977	86527.8488	68591.4912	68688.13117	66507.79783	67597.9645	84164.18183	70043.3832	68103.9125	83631.69	56871.69	72247.84	51665.74	58506.75	63552.995	81554.7488	68794.5475	86820.75783	61870.7488	62373.402	59076.235	60801.6525	75211.942	70237.636	57273.56	80286.69	69744.3488	81767.84	67181.4488	46338.318	76860.7168	69988.8115	55306.636	71119.735	65944.5408	71708.86125	69900.6592	76739.25783	69489.93375	76317.2488	62109.545	72018.0488	76739.25783	79611.07567	89219.1516	67472.636	90110.4568	88001.3832	75972.045	78077.4396	78982.29	80429.9488	38244.6675	59012.14367	59905.04625	65256.75	62605.29625	66083.04625
C557	Pyridoxine	169.0739	C8H11NO3	Others	Vitamin	65-23-6	1	288785.22	414393.1515	1054770.578	385962.1113	376563.3184	499951.413	318879.979	1853202.21	231813.74	779785.026	567455.75	293788.7331	264926.6055	358681.5817	395122.0583	503369.1978	617976.3154	487456.4886	274261.052	797887.776	207494.6924	253122.9295	272269.2796	520524.324	220927.898	145874.2291	891306.0468	809194.8973	1056796.4	284414.8402	380226.561	452987.8635	235117.0442	643237.5774	277416.9798	357356.3737	163297.8402	652318.1493	391715.676	449795.64	364098.1245	895173.5167	207914.08	211569.4167	448377.7387	294912.05	261505.53	585012.4744	607796.168	432998.1704	727859.4431	792646.8	954220.1833	531370.2327	280382.3455	364759.3004	624377.8667	410590.9711	1263006.659	252904.9562	304483.398	430213.145	499607.4397	219621.2038	407893.4047	1022040.49	401513.025	1024787.068	1652672.783	457881.7183	505153.2062	400613.2642	619246.9164	537849.14	178159.8	235379.8859	276455.256	270854.3664	468822.8308	390400.0617	605411.2286	469038.405	153176.1056	365813.9182	420766.5467	405583.7383	687743.8612	319590.992	198746.7383	226891.004	514231.3417	1063112.553	308132.6976	293861.098	293948.4323	377914.2967	246997.4167	264950.823	460582.235	393098.8417	261459.24	238867.9024	288955.04	218344.2347	170044.7951	646606.8228	266433.3029	685488.3115	313131.42	246717.3706	982929.78	397901.0047	231138.1767	177717.9092	373368.4061	262148.4131	203132.69	238407.2793	357700.347	188961.49	590823.5517	135761.12	346115.464	1690357.68	184029.12	427601.16	390398.325	317180.4583	706316.435	269399.9487	139576.4068	466055.1843	410736.0675	201104.1619	154883.7483	401171.3915	248696.1393	274630.844	165195.0619	266320.3678	531788.8538	274804.9253	156550.0171	587560.8885	170640.8	337956.0275	418688.0116	810543.1976	526174.2497	222725.7578	611407.3933	365770.546	300009.344	208504.4349	246374.1562	156301.3987	701525.5085	217952.4291	350555.5477	538021.9515	295410.1124	167737.2133	475428.13	1821555.401	243498.9075	348515.6869	360706.535	673120.24	385288.3709	674851.8752	420038.512	254797.0676	351697.4748	879712.6917	348196.33	599216.1803	242273.7287	311798.5867	982772.56	528074.7308	498528.5333	334297.6725	437019.44	562481.1517	1077845.486	882576.5402	1500427.596	1037562.817	334049.57	1116169.499	929538.6847	606267.4227	493775.3698	352562.4707	683189.3069	516245.8309	430606.888	172037.6719	199262.8427	180890.9359	520489.228	373083.9608	2197989.073	932504.32	408180.2578	324245.61	230094.2802	337607.564	610552.8753	394060.8882	194318.1308	321803.4278	538097.233	379086.8815	674079.9193
C558	Pyridoxine-5'-O-glucoside	331.1267	C14H21NO8	Others	Vitamin	-	3	1661136.635	1932192.372	1866683.06	2197793.961	1824270.663	1414070.476	1464283.578	1429318.939	1010010.788	1203155.396	1481675.996	1276927.568	1197861.696	1799846.954	1623305.87	1275788.055	1779868.975	1876670.313	1519865.094	1353707.124	1558078.827	1518029.434	2353012.688	1532009.106	1868106.341	1460777.004	1698887.774	1369164.997	1522016.402	1354924.846	1118147.544	1273500.617	1089604.726	2024786.599	1777708.517	1455337.44	1090115.298	1124727.155	1614843.844	1526123.216	1878469.634	945769.41	1248799.952	1287109.908	2286840.777	1487885.696	1259529.827	1225459.08	1708085.432	2768177.959	1828019.054	1770629.051	1457562.106	1980163.519	1642806.578	1355670.601	1393301.112	1425249.442	1219914.212	2018038.072	1634799.814	1740344.616	1108511.716	1253045.5	1802596.65	1230431.052	2132406.239	1465606.352	1452112.216	1614263.022	1397350.263	1271708.202	1412210.586	1384990.602	1400802.766	2075012.708	2158692.997	1683663.662	1267713.652	1918508.768	1050734.91	1489651.436	1361105.006	1559247.253	1823652.746	1209019.097	1337006.892	1333281.02	1370351.354	1665660.832	1429183.377	1533393.965	1126998.531	1966414.338	2543963.981	1448323.51	1492721.602	1461022.011	1673799.918	1954071.57	1495681.81	1402736.124	1099507.311	958477.6087	1448777.749	1380536.071	1463661.002	1351948.205	1310855.924	1695300.605	1394897.796	1313710.609	1034502.136	1344629.609	1413067.181	1684726.784	1424063.625	1462664.341	1315915.025	1282770.544	1506616.72	1802374.633	1945581.582	1893984.814	1184261.9	1525394.728	1486007.076	1055165.952	1640049.572	1914952.224	1422956.966	1419289.396	1554654.209	1135382.83	1388685.056	1680471.84	1324351.07	1732451.382	1418598.428	1417147.704	1676704.843	1196662.832	838504.8825	1120730.884	1322249.768	1374108.9	1928118.824	1789685.034	2034051.543	1381206.976	1139975.755	1856543.989	1234259.702	1529489.446	1429603.272	1474530.753	2273623.046	1277364.432	1483840.442	1697731.704	1716871.691	1568103.529	1268103.276	1490269.555	1768984.157	1366591.041	1493990.908	1604622.705	1588436.57	1047145.015	1929685.413	1544812.65	1904358.22	1607490.886	2245388.768	2090102.282	1235434.062	1785655.82	1607235.606	1346858.631	1826077.898	1676443.895	1785488.831	2024628.998	1225529.411	1187966.918	2007912.438	1570377.164	1867449.491	2178833.56	1881925.103	1939266.068	1785338.477	1296283.427	1071495.074	1445678.894	1269075.525	1225242.498	1306617.208	1729488.04	1877050.883	1349549.704	1742918.252	1489649.676	1760812.744	1155538.643	1347020.91	1588720.5	2044210.133	1396884.796	1153211.132	1142706.256	2020948.128	1537592.777	1105826.812
C559	Riboflavin (Vitamin B2)	376.1383	C17H20N4O6	Others	Vitamin	83-88-5	1	23320.41375	31944.791	31354.2875	24758.291	15069.348	45270.0825	22361.194	22326.61333	14377.791	38519.778	20999.845	29074.845	20905.5375	18571.5935	9843.28	42166.61333	8633.625	30972.348	20999.845	25873.96875	17764.3435	49639.26125	33589.17429	44331.56667	18571.376	23154.0395	34727.345	29873.0935	27094.06667	35937.291	26347.0395	28793.17933	29873.0935	24208.845	19168.791	34340.291	30721.5825	40227.92733	30550.5375	17764.3435	27849.276	34675.152	15325.43513	17769.845	25732.03875	27286.61333	12113.5935	30689.845	26647.80033	22500.41083	33146.3325	21807.345	28333.662	35369.8225	18370.291	36176.7875	23365.944	25452.4	40513.28	18497.16375	32168.04	38764.845	40999.2875	34723.0515	26347.0395	33489.564	41331.612	26554.26067	35127.7895	27335.5375	17571.791	20186.0935	28727.6575	30444.015	16957.0935	16981.3325	18962.42667	9694.845	21394.34717	22614.845	33756.35625	6308.728	22593.12	21800.5935	27171.35625	45519.291	19300.824	37927.62133	41513.7895	39143.5425	12117.345	18497.16375	34580.04	51001.34717	23153.28	20523.232	19265.85	22536.46875	31497.345	24679.47375	24758.291	31466.45333	30659.78667	30680.3435	27459.845	22362.791	17239.6	15027.09375	31212.4275	38752.8435	33031.944	10480.112	26273.23333	17808.192	39560.0935	30377.4	34161.24417	46816.1775	38389.6	36342.345	28796.09717	43438.417	29882.345	22530.2595	49256.56667	26273.23333	33919.845	23154.0395	21025.83375	25509.015	20214.3325	29166.662	36039.276	17366.61333	34726.61333	38033.28	26571.62	54680.04	32163.03875	57337.345	24138.7595	27807.555	27488.5825	16539.94667	35827.0775	19162.7895	46018.0935	50641.62	29999.662	64486.61333	23959.791	25724.8225	22840.65	38670.444	25836.8435	31944.791	22873.06286	18578.0515	33912.30033	20003.662	14059.94667	30436.09875	21040.24286	21019.33125	25633.28	31934.7895	22989.9	10675.232	37913.565	27433.12	20999.845	49494.6375	36150.929	36936.56533	48182.34857	36206.26067	27335.5375	42037.0825	28741.7895	27422.93333	17885.61	31466.45333	27335.5375	62729.79125	47605.232	29407.064	19168.791	46879.33125	34757.45625	28262.13367	63859.8325	27807.555	33146.3325	33079.948	32733.0395	20908.78875	27459.845	35302.4	45473.28	32033.6775	25628.112	42606.7875	40824.5775	63504.2875	30716.83125	31191.89867	28262.13367	21800.5935	26470.616	34370.0172	57043.3875	33899.94667	35138.791	42030.58125	45098.11
C560	(S)-2-Phenyloxirane	120.0575	C8H8O	Phenolic acids	Phenolic acids	20780-54-5	1	6363552.435	7020010.335	8515458.378	26537857.83	25972882.11	3153227.725	4354566.347	4777119.8	6142794.997	7179303.71	6173898.437	5876354.561	5165681.649	3863229.322	2892220.498	7450265.52	9952291.838	9345151.752	3514488.45	9078409.56	2604660.744	11402059.2	21077836.62	4055884.8	38187550.47	14136411.53	6513879.187	8630584.09	8017852.661	26681769.27	15578740.25	13131949.47	11592545.15	7264108.143	5050116.964	7109330.657	30409612.92	8613744.026	18528964.05	3392019.826	8573821.417	12975168.68	6389147.522	5996199.855	3938428.093	9270192.761	27784274.32	14592364.92	15144984.17	3669602.579	15874098.4	10446853.39	4690473.178	8574846.571	1891835.55	7073459.836	5684472.948	5607862.123	4857831.343	8355955.447	23245246.07	4390490.957	12768237.81	7643075.507	9067987.883	18977319.81	5527469.498	6339262.061	6843773.972	7189723.652	7012943.965	4730444.636	8907542.86	1787466.878	26674255.08	5217917.265	7265039.074	6154444.665	9378302.696	8733010.914	6916393.049	7859283.86	6669655.995	29836907.13	5757332.515	13839920.94	9672510.102	11990193.94	8578334.213	18838353.9	17171948.45	8157160.804	10741550.84	22554562.11	29605885.37	20246129.77	7888329.7	9651004.487	8608666.294	6354954.729	8469946.589	7954182.486	7553406.263	5625877.938	4686588.663	25767298.45	11274270.61	5819832.617	6193687.168	27229513.54	7095452.592	4255980.809	3764352.845	11160896.09	10881985.42	5758958.28	8685382.579	31496754.26	35437190.84	5550255.308	7664873.462	23341134.7	4879659.054	4901297.38	30396998.98	5265404.293	3301045.482	4115493.72	6032717.826	8840161.262	4708821.114	6156578.137	13880585.31	6040907.08	9955158.597	10127045.21	6084251.985	14209395.33	5042440.987	11907908.18	3291078.602	5942759.987	3710820.832	5322186.227	13837491.55	4512344.805	7765841.515	11945892.11	3323197.35	16751979.44	7807610.384	8987340.053	4458425.927	5384511.504	6284090.733	5516704.791	4238477.428	15431509.51	7161961.459	5532952.621	2855596.425	37050318.51	10669348.8	2967222.225	7629342.678	5196463.84	5922322.66	7948266.278	7767632.79	6496272.93	7586889.431	15317506.03	7217562.823	5995146.522	13454874.68	21192547.62	6016653.28	22543533.44	4469388.872	16148243.31	6936974.494	11290683.95	3888431.176	6993717.313	6293414.036	6728661.092	5365642.43	5957614.009	17755161.54	21242514.88	12402961.83	9314003.097	3550644.887	6861863.804	10965460.75	3921224.018	14007180.85	6219413.063	11809245.52	22824672.36	4303336.46	6082513.625	9242003.944	8631368.002	18759386.26	9322830.797	21636004.85	7786038.947	6072232.758	7842987.028	4301677.55	4933087.3	12063699.35	14936475.93	12272519.03
C561	"1,3-O-Dicaffeoylquinic Acid (Cynarin)"	516.1268	C25H24O12	Phenolic acids	Phenolic acids	30964-13-7	1	110224.008	174847.7707	253857.6765	224225.1765	172235.5307	165450.6096	103756.3272	186690.6765	96169.77067	111956.394	166754.56	192617.1765	69943.77067	84861.22667	42101.8792	238837.918	171933.7707	263735.1765	92248.7108	59326.8804	95841.928	198456.894	180364.008	82127.006	132131.772	177180.894	120278.5307	107463.1108	48100.008	211794.772	80033.928	109787.272	245343.6108	218298.6765	129165.9804	43058.4792	166935.6765	138884.6027	284608.4373	93337.864	159306.4373	178426.6645	73238.412	75132.5108	212376.6792	222268.1973	176084.1973	174647.8933	69419.8096	184743.6973	650111.392	127432.0108	60624.19733	170929.928	97472.24625	168911.1765	101953.7775	245755.104	65623.5108	75981.22667	66806.4205	193974.6096	133550.4975	168445.2	102731.9265	254845.4265	92345.7228	170962.4373	163794.56	409436.2792	150143.9265	178039.3653	177908.2356	30098.18933	206445.6765	176878.8108	236291.6792	230209.928	196250.772	273612.6765	138352.3284	147943.9272	267186.9513	178780.6108	159088.0692	414767.104	236851.7138	237279.7272	98112.43733	113846.8792	232852.0307	179776.4265	293350.4373	317688.272	453266.6987	324298.8792	260754.864	201854.0792	297318.6765	442848.1272	281514.6765	160305.272	195279.272	198543.6765	485978.9265	418652.4373	176790.4373	135805.8712	182264.2716	432020.5307	173273.52	115596.4373	228638.8792	149865.1272	238053.6765	217182.3804	302620.2192	273352.4332	150564.4373	246365.032	295876.3272	198876.4284	106501.0096	326212.0792	146679.104	110720.7693	74963.394	176044.2804	206378.412	295400.7788	183535.1108	142326.925	178763.772	265312.5108	144533.0096	479332.7	98170.58767	185611.2804	127225.978	214892.2096	124369.4792	168373.0792	127432.0108	61826.412	178799.412	91297.436	136926.6096	178914.3804	103909.104	301165.864	78452.6792	99768.6765	88018.6792	107670.2775	130284.7108	350657.1765	205405.925	99845.4096	74087.1765	225115.696	136004.412	202045.104	222899.2792	56114.5108	77026.2096	203016.4373	86425.37125	241869.7707	65075.936	61713.9692	203024.864	101035.1973	178825.4344	275866.4373	88975.2792	195178.2804	206637.0792	255511.392	126282.6792	181927.616	91866.6765	460248.1538	229046.6213	267124.4373	285078.2792	94853.928	59092.506	266106.5513	322012.4265	204454.9108	282428.7108	242056.5804	58289.6556	141695.5108	145399.478	272670.9804	319687.8933	147343.2804	372764.2108	161024.2775	115070.3108	39236.1804	81788.8108	87071.1804	104599.4096	170286.2792	197307.892	150237.8096	108337.0027	121753.896	170240.412	43061.435	41491.4265	155942.6096	66973.4792
C562	1-Caffeoylquinic acid	354.0951	C16H18O9	Phenolic acids	Phenolic acids	1241-87-8	1	3268449.792	3733726.677	5431239.758	3138829.284	1976856.933	3056486.705	1758401.134	2785688.085	3413307.107	1901344.749	2903821.833	4905381.155	4162914.78	2213102.87	1140983.883	3764592.738	3340273.434	2582000.89	2465158.789	3215616.099	2329477.552	4546594.937	5434307.262	2824596.231	2741342.76	2785041.508	2301338.271	2332426.966	3115979.601	6805435.471	1488158.399	3543630.982	9746414.455	4454392.594	3240638.236	2739162.355	2486622.385	4311991.264	2908858.133	3356433.043	4828078.308	3538524.135	5206985.058	4483067.328	3068295.312	3593531.042	2760666.859	2755750.537	1536444.37	5592331.646	5963526.72	2449758.842	5542404.457	2853263.872	2081342.556	2632330.783	2644053.93	3281634.046	3054057.335	3870900.754	2318383.947	3016683.289	1652190.187	4139033.591	3268772.265	3060158.275	5550311.787	3047249.328	2262890.74	4971240.046	2053879.666	2477204.942	7495796.337	3619058.495	4002720.521	3355028.675	3213383.976	2016565.413	3101233.033	8008191.9	5268964.455	2585819.548	3976546.837	2525429.558	2257879.767	3886814.533	2224641.38	2832342.562	3830944.131	4190882.54	3952940.178	3747463.554	3632133.688	7705113.983	3653904.463	2137963.628	3083959.716	2475675.668	2491585.376	3595332.139	3857342.422	5228365.792	2235927.981	2945333.224	4597624.719	1601413.176	4963580.226	2336755.04	2304498.108	6234060.044	2242018.79	1517483.619	3236985.677	7596881.108	1516026.204	2088108.272	3417190.415	5676579.724	2029743.748	2935913.583	3189282.666	10244746.67	7196980.512	3164728.057	1941788.539	4230327.223	1023848.166	2150501.36	3238971.229	4673397.646	2418963.92	4224898.931	4476082.56	3816249.376	2419051.037	5003160.96	1587361.895	10511917.95	4738509.451	7165947.775	3764071.711	3132627.858	6815343.583	4069306.102	3704020.845	2330786.088	4025401.119	6597211.874	3133485.338	4653438.375	4078900.489	3962277.059	1817578.926	1880948.238	2037061.538	6323516.308	3881270.33	2205776.089	2829451.142	1702213.296	3146572.592	2103784.232	5482506.224	1930930.259	3634937.848	2844955.536	3060210.146	1211782.839	5194973.283	2569050.469	1936768.42	1999762.839	3579612.546	5264140.518	3808435.194	2384197.073	3218153.334	6070031.438	2158690.243	4861966.197	3693836.293	5270197.576	NA	7306820.362	2322245.949	4155898.816	3591028.386	2604885.959	6714404.645	3277974.484	6720367.583	3192540.876	3069976.98	3785329.854	2224297.157	1742231.898	2794165.206	5045289.6	4643099.417	4587675.336	2466509.459	3823380.192	2963703.814	6274142.721	2648074.38	5316380.201	3879296.954	3258696.371	3437425.492	2410554.493	3914535.36	3214074.939	2344103.013	4242411.062	1750152.818
C563	1-Feruloyl-sn-glycerol*	268.0947	C13H16O6	Phenolic acids	Phenolic acids	-	1	274268.456	240511.288	153055.288	572079.1725	377539.0496	362703.6	314992.304	171275.288	266930.288	180418.2893	390826.288	236910.6227	198568.9533	343391.4533	212270.288	138504.6227	351653.288	292438.288	360829.2893	282800.921	208713.921	108436.1227	624156.456	198903.8496	233847.1692	289705.288	130256.4533	173976.4533	337988.288	280595.288	181296.288	88062.39375	71156.29733	294260.288	525787.8496	313969.7484	143701.6725	536684.456	152144.288	272446.1227	199824.6496	188889.1725	101310.0508	304762.7484	473727.288	187707.6227	165809.288	128458.288	146577.2616	549340.288	496683.9573	349877.0484	264280.6496	380805.288	250344.1725	369805.62	101299.0496	350759.6472	261518.2496	221380.288	161913.598	240313.7484	387667.8496	364608.2484	474638.288	189495.288	356208.288	265108.288	146705.1227	293295.62	193174.6227	197694.288	318096.688	180725.5175	160401.9573	308098.921	486481.288	300159.2484	276766.672	213636.6496	276696.8053	140588.628	326428.017	290109.1725	262951.304	231131.8496	150391.668	280519.3387	333396.921	365385.1227	208664.456	177684.7893	266979.1227	151089.8938	331550.62	491645.4225	255087.288	229621.2893	387182.288	314748.538	112080.7893	264978.2895	143993.538	209032.6496	456501.7893	281506.288	244155.288	255040.62	392738.7685	461799.7867	248388.6387	296786.472	186032.8508	176346.2895	204108.6227	329782.921	212309.1227	211095.0053	382697.2893	150085.1484	177018.5175	222353.0053	239644.1227	115704.288	625978.7893	223202.288	206270.2496	287935.956	153055.288	144582.2675	195908.1227	170876.2862	119348.288	193337.0472	214501.7265	104772.288	266067.956	297397.1484	315213.288	594783.2484	268801.456	181642.7265	355362.2893	180385.288	165809.288	370784.288	532942.288	374735.9484	145767.288	218727.2907	318857.288	254124.2484	193337.0472	181694.304	724267.6307	404491.288	277001.956	329849.6227	273307.288	235559.478	205893.288	167991.538	213593.0362	398114.288	308779.7867	209009.9484	351588.9533	443788.4484	369211.7484	276900.62	277963.9573	195922.785	291829.1733	336166.288	236708.052	256091.9573	327815.8496	358875.62	268826.2472	412484.6484	265108.288	342979.017	183118.288	421090.8568	165809.288	356143.12	358202.2496	232269.7867	325938.8484	314990.478	308779.7867	279684.288	193379.0496	230161.0472	305192.288	180385.288	141031.1604	275129.288	289705.288	319069.8187	183852.285	287238.2472	161568.285	174951.2893	294314.1227	162194.956	117526.288	457329.288	308713.558	405476.456	249666.956	490323.2862	493769.288	328818.12	147323.0484
C564	1-O-Caffeoylglycerol	254.079	C12H14O6	Phenolic acids	Phenolic acids	-	3	24631.56667	43436.778	31944.276	66494.06667	43596.3435	38033.28	31291.7325	89286.61333	22949.278	38519.778	41339.94667	81019.94667	43501.89867	39429.6375	15174.5565	52913.28	22989.9	86806.61333	15078.35	28377.09375	24251.83125	52223.13067	81019.94667	64852.4	45204.2775	54170.56533	37752.1375	37206.61333	23161.291	83731.56667	37757.232	20979.78667	66319.01875	43510.73333	47436.66375	29556.56667	54107.345	37784.2875	118182.5653	14232.348	53360.73333	40184.37	30203.3875	34757.45625	31719.345	47126.61333	45464.112	62833.28	27488.5825	20673.28	148726.0825	42166.61333	26054.31467	91241.37	28377.09375	73866.56533	36253.944	79591.66375	68785.8875	55823.23333	55823.23333	58699.94667	45505.0395	43819.94667	45898.96875	61916.04	25628.112	35302.4	42606.7875	90279.89867	35378.53875	67793.28	55989.2325	21412.7325	30587.112	65328.35	48554.37	66269.6375	34579.48125	84326.61333	56803.85625	60518.95467	39424.9275	55365.8875	83966.98125	124608.6638	77713.28	88726.929	38577.89867	112665.845	118219.9467	48240.53875	62389.9	52821.70667	76346.01375	58273.89867	75218.112	80431.89867	72753.28	97870.84875	132626.7875	68327.60625	74912.60625	47953.28	60353.28	94061.41375	74768.41375	62389.9	50306.70667	79366.61333	80315.917	29010.44533	57580.21875	41126.97375	127313.28	74267.71875	77713.28	77133.37333	75523.23333	44646.61333	93579.78667	95886.417	28947.6075	36980.5375	104252.4	96473.03875	25170.8875	45963.89867	62006.61333	57527.4305	73579.94667	41952.13875	46794.06667	43819.94667	51090.85	83895.88875	51719.06667	69261.46875	49256.56667	41228.8325	43510.73333	56644.06667	20141.38875	19846.61333	89754.6375	26267.89867	34726.61333	33383.34375	18732.6075	87251.38875	39406.56667	53228.81375	15583.28	92100.2225	44475.39	90298.23333	78775.5375	37945.5935	35571.0825	51259.94667	39429.6375	110671.1685	140340.5653	37206.61333	63051.5825	52259.91375	110138.9137	50732.0172	46622.3225	41987.60625	98980.8875	104993.28	41980.27083	82611.46875	36944.06667	43501.89867	108477.0938	109282.6592	59485.5375	73466.791	96479.01375	67504.48125	39917.2895	29220.22125	59248.96875	71552.91375	49036.7875	70314.95625	125000.7638	80193.28	82449.5825	47567.71875	51684.845	46146.51375	54004.4172	59494.78875	107652.5604	36726.345	78862.63875	79666.1775	35232.70667	23316.7875	38596.63875	28741.7895	73547.45625	69130.5375	59010.3325	117204.3325	62094.39	58285.73333	98142.1375	48779.94667	82016.04	37199.112	44214.2875
C565	1-O-Caffeoyl-¦Â-D-glucose*	342.0951	C15H18O9	Phenolic acids	Phenolic acids	14364-08-0	1	322392.2967	151655.31	213106.0308	541408.0336	179095.8243	238383.881	567208.1717	230211.3357	165990.0074	314967.0655	161408.5433	NA	102124.5671	288929.3714	191870.6707	231709.3857	234010.6252	285415.5	201318.25	113413.2501	318031.7076	135648.6825	438767.5453	NA	143049.9333	139136.1244	221995.0989	174254.5944	437221.3247	199594.6645	140094.4285	332765.3374	NA	110786.1785	210172.39	185814.1296	130122.0433	472826.7056	162590.7167	99612.20267	196636.4366	195874.9489	107315.401	115558.4285	787122.8787	110378.3868	149513.1016	156762.7131	129783.2811	134206.8808	162534.892	166161.89	297856.3763	424677.0237	239598.892	203721.1285	108873.23	176871.7296	106893.8967	264859.8943	401187.6431	279929.6989	122199.1274	178588.0046	345576.54	113237.2656	199771.1825	140727.6375	281130.4556	192810.1754	161487.4507	361698.8384	192642.1624	174964.5511	421964.0833	84338.40433	170073.8987	223674.5633	257149.89	96516.3088	315220.7681	420948.7933	364943.25	184277.1665	172276.7564	144925.6275	75106.39313	93327.6375	298889.23	117307.0896	666788.3095	130136.4511	86713.02514	172514.5054	720313.2737	335731.9624	NA	137574.8177	386512.3965	130645.8967	107157.7131	141400.1488	148815.7737	119463.7611	372764.3247	505864.892	159025.7991	112428.1749	356538.2513	448407.0237	147621.4489	153711.2291	135772.9489	164754.3785	169598.902	159761.1251	366893.8762	155815.7782	112123.9175	126568.8987	196370.3859	252374.8967	160701.0874	141037.3967	219173.2056	147453.2513	417602.34	187865.6876	428191.7749	105821	122162.5978	306598.8787	97179.1285	122425.4278	411379.3785	324074.1285	134992.0251	117706.7656	132940.7167	325596.0806	146480.5633	98671.37963	232888.9624	189956.6411	570547.892	150755.1465	195192.0713	351046.3744	271789.6285	177983.8987	297683.7166	384302.2896	303433.5578	146595.6822	149308.1775	125183.9344	217443.2167	218427.4056	127734.2344	195522.9675	169021.204	133630.2463	168361.0989	458778.0803	260074.0032	122210.8695	148172.1725	211798.5633	128546.5604	171236.9505	443679.9903	80262.90778	115787.8956	268336.8785	983166.5874	347079.888	154253.8987	190367.3374	198967.8764	185074.671	177827.4309	167809.3868	144006.3967	344161.4322	167843.988	130226.8785	323136.0633	143823.7857	144825.6967	195205.7167	437554.1271	296186.0167	NA	158458.2274	185065.7736	95781.20667	106494.6278	78377.92	178343.9168	364947.7367	80672.41875	92335.93	326624.3658	264038.5249	441300.7167	97732.86556	139120.5122	168132.1428	498251.1785	185173.7627	191509.9428	160111.1737	261301.4285	484204.032	146242.4054
C566	1-O-Feruloylquinic acid	368.1107	C17H20O9	Phenolic acids	Phenolic acids	-	3	16710466.82	16020449.26	21990014.99	19090887.92	12893684.42	11582650.33	12980989.04	25930174.93	34215259.65	14789062.51	16302115.43	25521678.8	16832063.41	23158775.47	12440198.97	28992684.83	23621466.68	15159696.48	10248561.53	22694949.35	11226828.75	30155957.42	18360782.83	23930406.2	8053435.408	25942472.12	16691479.78	10756570.05	14667371.51	17598841.03	7938262.746	14675303.98	14572736.67	23455744.97	21924262.5	18110501.66	17305496.93	25804090.57	15358385.02	15582617.43	34194504.52	9566576.239	27274023.99	27735581.5	15232077.31	16571287.31	15042091.83	4825617.715	9424013.706	27781019.02	19818600.14	18261585.73	24780263.37	25918964.87	14451219.96	16147049.98	30168998.89	23149372.79	22128391.84	17109715.11	10712453.62	9439075.256	13694527.59	23760903.67	17663473.88	7137857.516	14314507.36	31201653.83	13171233.07	44021999.29	13653891.81	23474557.63	10323285.93	14931395.42	8271928.429	19310600.18	10666634.61	34454730.68	25035986.97	26600451.29	29590581.36	29590987.92	36739835.91	12410170.87	21893449.49	21039527.84	23281382.49	22679434.26	18514023.98	24224359.47	11995226.7	27388260.29	24059235.56	18374891.05	20557829.36	15449649	17269765.94	16521889.82	26876322.32	38724146.24	18659882.4	29677982.32	23041540.4	25201262.98	19955298.57	30472514.54	20906798.66	17297623.26	21149762.21	16673821.1	15100445.53	29023225.32	24006805.23	24152106.97	13683677.75	33727756.86	16650429.39	22668513.56	17399234.41	13133189.17	26242236.52	28649255.2	16128432.88	14707042.6	21886246.37	13330913.16	11329575.97	21775214.4	24843287.68	13639003.2	21000652.84	17641609.51	17308198.95	15062327.4	9678726.033	15765191.42	18722624.5	16660252.14	18497905.31	23574518.44	16132087.55	14044975.83	23763524.22	16203093.87	19191007.91	11483767.67	26886207.63	16410406.5	13269291.03	41766341.06	23063989.96	22998582.88	14060221.58	16024863.29	30844332.17	26892347.91	39984235.44	18431246.99	14099045.86	20927018.9	10092978.53	8091884.515	41639778.18	39457694.87	34310355.65	29350661.39	31702158.51	24670029.34	13229933.73	29450052.19	19454238.09	29138824.69	9735801.36	17823650.94	10456514.71	6089628.463	24052586.04	22310340.36	14996442.43	28976579.72	45659770.75	25046572.81	21445746.49	27829011.52	18709313.34	27138215.29	23940983.47	29065448.31	26729735.99	25619300	13983701.73	20840902.78	24029016.92	20217877.25	26619375.59	27810337.53	14560558.35	18736494.83	15734247.47	16454588.67	21593260.99	25744312.22	19442200.88	26486089.71	15748611.75	21612391.71	11160933.28	20713139.31	12287317.64	23068752.7	28698082.79	12883041.93	13561290.52	13074437.28	9762739.248
C567	1-O-Feruloyl-¦Â-D-glucose	356.1107	C16H20O9	Phenolic acids	Phenolic acids	7196-71-6	1	75378.618	69922.6165	202037.495	74343.995	138117.0575	NA	146883.495	37674.8748	241654.8712	133661.6867	62188.7748	161904.7462	53917.8075	280441.6867	129687.0037	NA	72363.618	52100.5575	133094.995	207478.4748	137890.995	134518.005	91882.505	157707.3712	93684.005	73867.505	51918.35333	171713.2537	291423.7463	1853973.342	125301.495	75597.3785	96066.00375	73144.995	183593.176	245201.495	397557.3713	666561.005	281074.0575	271499.176	164508.7537	76552.8665	36479.0748	156914.828	438880.1287	105237.5748	49175.24625	46588.63	86104.7748	248850.3713	135522.42	123152.8293	125327.6213	62966.62125	143637.828	314166.618	65787.176	402539.328	126581.1165	113696.6285	66389.828	48901.82933	188493.66	250370.1285	519281.2462	104471.2537	309072.837	84535.495	89247.618	115902.505	107960.9975	157383.66	154819.6285	112487.1285	226664.2462	116480.328	NA	226983.496	95945.99625	58664.3785	109749.618	69667.3075	162210.618	66993.328	227389.6285	177482.8293	79688.82933	59097.618	176258.995	74959.12125	2238485.302	30494.9736	95945.99625	28415.127	474367.8665	78963.8665	43169.995	77957.24625	105013.828	64765.49625	143677.496	33237.3755	91767.7475	151483.328	35611.328	581642.2462	114254.127	92348.24625	154500.828	NA	76066.82933	684902.127	153509.9962	77155.6165	97744.87125	89968.4975	63474.918	709313.1627	70554.618	121206.618	108061.1627	161338.7475	95840.8665	17532.918	792619.1627	112735.4962	82614.618	81554.99625	131457.618	38433.66	68962.87125	167900.9962	169376.3665	109872.1627	90549.37125	29550.618	288786.3787	286027.1212	329534.0575	2433989.836	50712.82933	189103.66	118191.618	88750.49625	144281.1627	82754.24625	199039.995	157937.505	254846.6212	99609.82933	127819.3075	159739.005	292375.02	92685.8075	1155483.371	85152.74625	1017456.056	328322.5575	270436.8712	238106.7475	151742.7475	84494.828	53372.62125	88150.87125	299513.66	52100.5575	82154.62125	270231.005	230796.8075	84205.3075	98323.995	80808.03	93064.12875	82388.0575	102636.9023	163703.6212	203835.995	221820.995	62870.418	104940.3713	82319.9085	78556.87125	187088.9962	330330.495	125430.03	83935.995	92328.995	111536.2462	72575.7475	234431.3075	642070.495	68933.66	63552.995	52162.495	188061.6165	62024.89625	26556.8408	88005.1165	1040954.996	96320.3075	53372.62125	142914.618	82353.66	78171.68667	144174.5575	159657.6285	38981.62125	49538.6045	44378.24625	664836.8665	170548.005	252655.9338	238656.7462	253647.3712	18093.618
C568	1-O-Gentisoyl-¦Â-D-glucoside	316.0794	C13H16O9	Phenolic acids	Phenolic acids	23445-11-6	1	519235.9774	879313.7394	4292784.849	778493.4803	312388.9733	1487873.947	862327.6941	340193.5071	8454169.499	424117.8969	906961.8858	3480746.323	NA	790179.5437	400277.2613	869312.2669	790369.8539	543557.0104	285808.0143	573089.7288	446756.6496	16764158.07	754101.9407	611518.3271	275088.7882	860008.5696	553289.2416	1195448.719	5825360.681	12674245.05	736285.2551	2243195.989	5434621.726	NA	NA	665264.3742	21474641.87	505994.1857	13225268.84	548490.442	7042240.839	335640.7693	3853989.871	3920054.693	2062388.204	351718.293	177622.83	389624.6954	298700.2693	1226617.097	1879295.305	264046.0556	361198.7383	1051695.086	445680.2206	2529313.442	2259158.984	1094980.958	669268.3288	3548437.815	4660181.806	3518534.952	982064.2239	8521870.28	811956.5396	NA	746027.5841	1198588.991	225658.2326	4774942.272	663167.248	4805968.15	2436174.53	5488551.98	3414536.619	260633.6895	347843.016	3865440.377	332279.4455	10813484.7	2612763.928	1276716.193	949509.1771	804798.1888	1184867.2	3480522.426	779244.7204	571761.7019	2167258.779	4583269.994	427469.3474	2454472.262	207419.2519	709013.0835	619394.544	901622.584	274793.3507	251528.588	3126858.71	480791.0367	29590809.26	5014166.21	3165680.774	4143014.698	3178404.367	870421.6125	887758.8641	607691.7897	663910.3516	2120973.482	389602.5907	486114.1736	1022468.246	690480.7128	469419.2401	420194.2066	2194736.757	21890666.93	591163.7493	609145.9399	1124593.368	17668586.97	9955613.566	283157.0456	5424871.904	6367566.648	351177.36	NA	2170923.964	2511588.57	2629243.345	2264730.566	1821695.549	367443.8095	6261301.335	880334.6664	1112360.75	1305929.653	10256162.91	3262727.002	849656.8606	7303996.852	1779813.23	1375674.052	11107141.14	474437.293	96649.418	1752469.028	338432.5676	15818177.06	2264354.708	898686.4642	2253324.335	546529.4	1818216.521	6562271.779	1527620.145	2391323.904	NA	662201.1237	NA	490584.8053	7374757.297	844688.4402	4668527.923	895684.8971	4397649.68	572674.6341	11063056.39	788225.9816	299874.7612	1215351.222	192426.4453	675106.5058	929292.9986	1114195.971	62344.837	36665008.46	632260.872	3137843.647	2205974.436	1635712.377	544137.1771	791379.267	1104950.784	5595169.253	547482.1092	2627357.474	203830.56	700891.961	6891448.432	1334427.178	360542.7195	318000.5679	NA	250585.2604	287580.6004	2678847.927	240572.0271	1078072.214	405071.2761	1528586.997	558248.6057	12660970.54	1166728.649	628905.1445	430302.2855	1255681.45	781838.1949	5863005.57	2716275.746	8404205.825	1469389.184	1682253.359	726576.948
C569	1-O-p-Coumaroyl-¦Â-D-glucose	326.1002	C15H18O8	Phenolic acids	Phenolic acids	7139-64-2	3	140439.336	129339.301	61282.29217	221421.3755	132188.562	206956.6418	206866.0596	73766.53778	24698.016	103921.8428	99595.224	121078.26	157808.9133	155393.2133	58532.5415	79484.0585	137392.1237	76114.4275	208462.0767	85830.943	94402.26	178127.9582	289346.67	223721.1189	127690.5645	132316.569	180019.17	55868.77633	158986.5597	42837.5468	70194.5585	143292.4567	41722.2789	66166.2915	142652.4789	76447.26	107460.2333	133896.0438	125353.2552	79862.5428	96809.74333	NA	76785.23667	107565.2433	169902.0122	42254.126	NA	80752.60967	132325.4582	176849.1143	109059.069	56326.144	75674.27633	111459.8748	97779.0428	NA	70314.5584	130332.4605	89082.126	247765.7428	129516.8428	95683.45817	84354.1344	122252.3225	210250.1097	121678.0438	89302.554	91118.126	79116.57125	163144.26	90100.126	70425.196	132854.09	158319.196	80218.7113	62978.443	217803.5887	189413.8596	76369.62717	88070.144	85493.4428	117335.8608	55291.3428	53969.9605	150032.3162	69720.96375	70136.4428	34608.58875	72782.20817	132022.1085	153463.012	70746.5415	77814.9428	208472.3911	96182.46375	217645.3596	83992.126	84996.20817	225577.21	129271.9582	121359.3585	110442.0415	60561.21375	97495.1085	114550.8772	318867.066	110188.8585	79398.12483	48759.10967	90085.37483	102825.126	173178.2763	140326.112	94696.62717	73819.05967	200319.4463	210397.0428	106388.126	148802.2763	95479.9596	160262.144	89591.126	53945.83875	99073.0596	103921.8428	99034.60967	80415.95817	243727.1085	143994.4752	74260.6452	314008.7082	163716.9584	NA	83173.57125	95731.4428	58362.7428	92494.066	76826.3375	39994.253	88535.8205	227492.8748	118858.69	66675.20817	134176.3452	137489.9588	136113.5667	143478.3918	93463.7775	55295.3225	35750.514	179702.7389	162860.4582	96701.2915	131134.7275	NA	134210.5597	137222.9448	104805.9775	64600.9845	122676.126	117057.9582	137923.5415	180652.5584	137151.79	275466.5282	119100.52	98769.29383	82239.554	95733.46	136217.196	93418.3085	84170.89117	137813.67	104918.9438	165393.9023	189440.393	69728.70817	124679.4637	142662.21	NA	158319.196	75708.9789	94966.5585	196118.8918	141916.4175	116313.4868	95683.45817	76387.5585	NA	161917.196	108915.2915	77834.24	83992.126	69728.70817	NA	46219.943	75778.01667	NA	44823.62133	121049.9535	96701.2915	144969.1333	74526.98556	100127.3918	127499.8638	NA	NA	109530.68	165287.0563	129823.3772	NA	97594.22867	195999.8456	293391.1036	75461.2596
C570	1-O-Salicyloyl-¦Â-D-glucose	300.084	C13H16O8	Phenolic acids	Phenolic acids	60517-74-0	1	2646058.634	3179940.362	5407434.501	3117784.949	292239.3348	697736.8116	2662974.397	1573405.648	7057198.727	1207020.749	2950893.816	8503820.701	1741332.703	3846644.742	536875.4	1238530.796	6694492.959	5825181.775	1133904.906	983487.111	682312.7598	21887017.35	4712039.515	118843.0671	682788.519	3043379.267	5746030.959	500252.02	3304587.939	8043300.01	346584.1586	1439975.047	6561374.84	1968544.372	775395.2397	1016123.529	6063412.787	705089.6658	1927262.106	1088548.015	1455193.993	445292.6324	2332474.781	2082895.76	2474019.37	257163.57	475552.5018	717464.1945	732320.776	1390674.291	647444.308	835754.94	2220944.405	10612527.22	1987653.5	1608260.346	1421489.987	1365681.82	992015.65	3701488.578	14223516.24	1083426.43	392095.1619	4102467.149	6571876.941	1616057.388	4552872.772	635922.3375	1062430.201	14142489.33	1297952.753	3311205.684	2940618.253	1752160.622	15558427.52	844175.5503	4478544.807	814721.6042	1003507.34	5609426.383	3238199.778	1752690.768	1709453.92	1288226.65	1083576.057	4314502.103	1210402.28	1077142.114	1769573.55	447289.7919	1545595.954	598656.011	580521.783	26931593.69	2495048.039	2085329.976	922125.2556	1519451.652	5208305.94	716914.338	2516221.889	1833570.797	3071497.52	1354920.7	3326469.67	2121230.226	4109061.991	545746.8194	871214.904	3330396.657	1230828.29	1232581.289	642296.655	2416038.528	1369219.716	1644505.338	7585972.02	29787521.36	542918.3979	2583677.968	16002250.74	6782441.033	3843064.369	563827.85	2781226.125	962675.772	1092231.145	3975891.478	4987129.915	1044263.386	741401.2364	2966531.434	1077713.412	796482.9229	3318135.041	4584305.045	739855.806	1913052.869	4739140.947	10220069.24	1702988.232	1284645.138	608336.2411	596886.4512	13258475.27	1084136.131	2811491.472	2024537.04	1797997.023	2679522.274	2841072.806	2569495.335	442167.544	453035.7004	3316726.204	1711744.561	967626.205	1508948.571	827133.7449	821594.115	1356939.661	763267.8922	2827799.77	1331074.757	969984.576	400115.7067	1315844.572	1179001.476	3433553.013	3373920.726	719718.406	984975.8556	316439.55	608556.3304	8937729.249	2364407.573	384450.4357	29478209.24	1011337.146	1822945.665	2479741.281	3844264.124	728877.7454	5913028.108	507195.647	1088696.532	2298637.614	3986975.844	3448731.732	5519925.543	2034226.807	8484909.597	576466.1302	230140.1925	804153.6452	354513.7733	942316.5863	507865.0998	2965695.358	3229490.422	1056522.651	1608820.965	5549233.259	4186648.157	1105299.591	1693266.068	273778.1098	2377250.911	6091602.35	3706411.696	1418920.796	927119.5012	648560.1075	2674058.897	1135212.76
C571	1-O-Sinapoyl-¦Â-D-glucose	386.1219	C17H22O10	Phenolic acids	Phenolic acids	-	2	69363.5748	124283.6287	73251.75375	119480.6287	159823.66	111978.0048	121882.1287	227548.1287	64322.337	77470.505	54039.75375	96269.0748	107533.575	62061.68667	43048.7736	49837.12875	76435.9652	68349.6576	132688.8787	48646.505	163015.4652	40239.505	106290.9652	65460.505	64259.505	185661.8785	48036.00375	41699.1715	197050.1652	120185.0748	117917.337	185139.1664	68448.75375	14415.00375	62458.005	76435.9652	103443.8748	33381.96	104654.9588	57065.38125	91485.8748	23236.08817	58254.505	75653.25375	88363.164	81591.837	39581.24625	149530.505	72256.2652	78671.505	149530.505	69664.005	133289.2537	68448.75375	153101.6287	36583.12125	67876.63125	111035.6347	166910.2537	230598.005	73028.328	104433.8013	58933.575	90062.25375	121307.005	25822.12875	122412.6652	125484.3787	109897.505	76826.13467	98013.63	225949.5738	288786.3787	155049.8612	221250.627	58157.495	68448.75375	153133.505	81073.505	138721.505	157937.505	74105.82375	100890.005	44150.3785	82857.75375	72666.505	51649.005	135132.5748	62458.005	72051.00375	71346.495	62169.5865	31999.16267	172825.588	148298.6287	117679.5038	45034.12875	42940.8785	130024.8785	145296.7537	22057.96	49298.26125	74468.005	58821.13467	118304.505	128513.005	64685.127	87629.13467	45634.50375	28706.3748	48445.176	66362.9736	52238.62875	73852.12875	115878.3787	76269.505	61688.1285	95431.30133	72066.005	126711.505	82274.505	90184.3664	65446.87875	39917.1285	168746.505	111699.005	99689.005	54039.75375	119505.505	177513.66	72051.00375	40439.328	49236.75375	60405.176	109297.005	57053.505	102248.0748	71392.42	63935.2765	97887.505	146528.005	72595.2588	154214.8785	67904.83817	88279.505	87679.005	41646.328	32165.337	76870.005	49247.005	70878.8075	65699.1664	149880.995	74363.876	79872.505	60656.505	123553.5562	103281.075	77357.62125	33634.005	134518.005	147692.337	197756.8785	63384.5748	104800.8075	74343.54133	79872.505	87692.3785	27264.8075	46936.376	99456.837	98133.224	44789.6652	119683.575	164380.5252	138121.005	121815.5652	127312.005	94284.505	37432.16267	109646.8075	65460.505	95073.2748	64152.495	68021.9228	145296.7538	184321.1287	32385.74625	29430.505	92685.8075	96252.9736	140189.876	41970.995	49236.75375	31186.49625	97229.91375	51025.57375	91882.505	47831.44933	64995.19875	34827.75375	98062.7748	86628.3075	135019.6165	78083.66	95346.37125	103270.5037	65446.87875	136291.1287	262369.8787	134258.1285	93782.26	63502.3785	75653.25375	93083.505
C572	1-O-Vanilloyl-D-Glucose	330.0951	C14H18O9	Phenolic acids	Phenolic acids	-	1	50538.83537	12566.568	NA	13138.33164	21428.41	NA	11444.02458	7442.227875	28800.38508	NA	NA	NA	NA	NA	12249.41083	8591.679273	17732.60288	15655.1957	9109.817313	30889.43543	15420.91444	33293.81	37837.75418	NA	NA	NA	20746.368	NA	50890.47787	NA	NA	18374.14333	NA	NA	70104.88275	9549.165556	10871.16425	NA	NA	NA	39778.97625	NA	16654.25556	16534.97486	NA	12015.72788	37619.68914	NA	10755.86763	68498.08111	18218.242	33181.81564	17065.233	32145.18171	51310.26	42127.6304	NA	NA	NA	NA	24514.88275	NA	NA	NA	19328.60237	50734.69638	NA	NA	44036.64857	NA	29647.00888	NA	14864.715	NA	39778.97625	NA	NA	NA	12577.7825	30783.50775	11438.21625	6932.1252	NA	50203.26675	NA	46883.53925	14828.63388	NA	65175.53925	NA	10237.60237	NA	14806.0304	89183.78925	15458.7615	NA	NA	NA	NA	NA	64776.47625	NA	NA	7349.52	13117.38275	NA	NA	NA	NA	9112.4292	NA	NA	NA	15373.242	NA	NA	66263.8956	52599.78925	NA	37169.97787	NA	NA	24592.85287	7470.9925	NA	12531.4316	NA	4478.59125	NA	NA	NA	NA	46776.135	21030.85125	54634.242	NA	NA	NA	19026.85778	NA	22286.59388	NA	6395.43375	NA	NA	69748.53925	7463.746286	NA	NA	NA	20139.72725	16006.13107	NA	NA	NA	NA	55322.1144	NA	20496.49312	5117.68	16017.54038	NA	57891.344	39178.368	NA	67075.42767	NA	NA	70759.98629	NA	NA	NA	NA	14215.53	22822.56111	NA	NA	16591.0415	15991.51345	5115.445	NA	NA	NA	NA	20739.51556	NA	NA	NA	38367.805	NA	NA	NA	NA	46322.0415	NA	NA	16499.29467	NA	NA	58536.80889	59690.14333	6801.056	7567.874286	31486.72333	21859.2	41593.86	NA	21160.41425	38880.78925	NA	11268.88287	18863.92743	NA	17159.03925	NA
C573	"2-(3,4-dihydroxyphenyl)ethanediol 1-O-¦Â-D-glucopyranoside"	332.1107	C14H20O9	Phenolic acids	Phenolic acids	-	1	367604.4554	330933.248	518977.452	226110.69	334640.535	259434.225	199258.8663	429200.2914	393174.9497	619919.58	110501.0368	333683.525	467998.6256	520721.0092	532960.0325	241380.256	594979.4086	248431.123	231030.765	768559.6296	334733.3486	261342.954	406591.598	425133.654	234532.4436	776133.699	412327.36	522682.9338	274848.7962	277031.3	460686.9624	128770.98	383498.784	121426.616	388896.3288	503270.176	435783.9257	569737.3288	567363.7794	485443.1736	294341.0944	310475.007	386930.9967	643363.49	331513.0029	453733.5744	540122.616	472166.0496	421773.8207	477342.096	379192.104	241487.0472	417252.5784	377713.4052	255029.1514	284466.1512	340353.5684	387399.464	286360.02	338328.1382	853178.3736	113983.236	546706.796	571864.9104	790429.0392	167704.2326	445968.38	272769.3192	143236.5498	407351.4816	445505.65	456746.5432	390245.352	600074.644	472967.633	540357.636	315528.696	366842.1288	556363.9033	307326.588	389394.2052	732072.02	750181.248	684388.908	1148678.67	249102.3187	321155.7384	476513.785	524911.2736	409601.5056	195361.8227	168794.4216	316205.239	337134.8736	379275.7392	178514.9952	381042.6788	274626.7226	284922.4224	719631.7158	316717.601	306850.2493	311703.6552	654681.6528	499525.3446	852605.2253	990192.9895	786337.7928	308840.928	176737.9068	264270.5582	291731.3468	244012.2906	523013.7438	364744.7167	254237.9376	383720.2824	251164.1328	505430.4528	379595.3876	283571.4168	344214.297	862948.8672	573040.1408	598154.403	362340.0984	121144.1616	340128.5206	216961.8383	392072.237	489261.745	264831.6768	382360.4176	188374.5864	293619.7152	213909.168	590887.2882	84288.464	485642.256	688889.9472	413061.7408	692044.5648	322866.006	880046.28	582783.5846	657167.8932	214961.971	187474.5768	197891.6208	691114.3688	410980.6752	414044.5632	522273.768	818519.6547	684725.2712	421694.8214	749631.008	638605.3776	834631.248	996988.674	320825.078	610428.1654	577931.837	760411.176	310525.0392	318389.9254	572814.2304	468417.0915	486671.7714	571828.4154	321876.558	540123.5994	462140.0784	320329.1087	163617.1774	172795.6857	257167.156	285391.8088	615983.0966	567356.8665	523604.4576	615325.62	417733.2432	297381.7164	340446.267	796523.787	500742.4968	479927.2196	310837.9907	331166.4538	471541.5236	286155.2826	404198.214	345272.6976	301348.9288	99704.808	275927.1728	579677.5515	230629.356	292816.218	589812.21	396089.0388	658327.1232	481856.5029	700876.84	330829.1966	242102.0826	345830.3333	238174.048	706275.535	606485.9486	546594.7824	576981.8589	333296.4608	136387.1376
C574	2-(Formylamino)benzoic acid	165.0426	C8H7NO3	Phenolic acids	Phenolic acids	3342-77-6	3	NA	20468.00275	15763.878	26251.8732	24457.32987	NA	NA	19237.12038	9231.272	43966.5732	NA	27568.2744	19156.77771	26969.59467	8560.809143	44716.575	22411.272	NA	19081.1924	9872.762667	NA	68169.4648	26969.4912	24241.55	25186.925	21022.5675	21683.44375	25800.6525	13773.366	50542.66	24343.308	37557.25371	19743.948	23059.353	NA	24433.204	22294.866	34774.56	28418.76625	NA	24943.4744	37907.66	16538.46162	NA	24981.4864	19717.884	18508.57029	21137.42057	NA	44972.65138	26227.866	36079.68375	9970.158	13158.59467	13782.56	27585.25333	28426.83213	19037.6744	NA	28946.6924	14438.56	27601.884	NA	15137.948	15737.244	30849.2744	12368.1545	NA	13821.948	22423.83314	17071.6756	NA	21183.00889	NA	24290.9756	39017.7175	23622.56	29703.43912	29045.28	19847.52638	23115.56229	21669.752	24943.4744	28870.56	NA	32187.3175	30849.2744	25802.469	44324.469	14438.56	164739.1756	NA	43973.2744	22336.0675	33049.3935	23540.19	38294.704	28288.9924	18423.4924	36349.70487	22966.56	23064.43733	25708.908	18424.596	NA	40078.7828	22310.56	19770.27067	36851.948	24947.2756	12526.272	15102.7756	28885.0756	23609.24533	17143.60667	19735.32625	28292.096	39650.688	28942.59467	19014.4648	7900.2924	10587.969	23105.31412	25568.4648	19037.6744	17108.0924	30961.353	15094.56	8603.469	19784.832	17579.604	11069.604	28214.56	19808.12775	18387.252	26227.866	23742.26171	22997.19375	NA	111821.4465	NA	NA	15739.866	13865.8188	17104.59467	27671.47912	28880.6744	20509.39	25798.21388	33438.366	NA	NA	22369.6924	30816.366	22373.0936	24356.528	20998.56	11807.24533	NA	NA	NA	20502.7175	22946.8648	19173.6435	29107.152	19067.65714	17744.1828	27082.1345	NA	21255.94333	17883.99625	NA	27176.98862	18361.866	16564.16571	21696.22857	28920.2852	51792.366	17957.66	22950.366	25829.07222	28288.9924	17085.31875	29607.66629	20458.6164	24732.4045	NA	22411.272	24472.3344	17065.81125	13800.94375	18512.8935	16428.44375	28915.884	NA	40264.25275	14416.55	28891.252	52536.56625	19152.63257	20379.72743	NA	NA	20464.1255	22445.50163	26255.8744	47644.40812	28426.83212	20443.1104	24447.59667	26436.28457	13764.17625	19770.60525	24324.8	NA
C575	"2,3-Dihydroxybenzoic Acid*"	154.0266	C7H6O4	Phenolic acids	Phenolic acids	303-38-8	3	185968.8296	283866.906	287135.5723	149764.4887	215221.6184	228975.4729	108644.5772	211615.9628	339419.7357	93159.0045	177401.9661	353860.9307	190737.5468	NA	NA	346954.465	190676.9235	205891.4297	NA	159212.3603	99814.372	406194.5367	290246.4115	374717.4705	213004.0615	214379.1969	44250.58033	205408.6896	200027.877	323605.8027	157538.3242	239247.9405	375051.474	195489.3541	215684.1	196077.3692	142837.8237	113022.3564	315420.2074	NA	414239.4849	93265.627	231839.234	345012.2874	215267.5422	208963.5075	206233.614	181104.984	130407.0587	216137.7999	294003.1016	127372.399	NA	229566.3208	222582.8571	185089.7017	83171.193	81460.2942	168262.7402	208432.3303	314754.0959	208546.1092	217719.5562	255714.4461	250678.9515	188331.776	132010.4833	112908.7133	210550.6027	340677.3	207072.9526	245186.0276	287650.7691	260242.7344	188040.7187	209240.4176	236619.2562	231404.1432	153730.8451	411878.2611	193298.4283	NA	187005.4898	124797.681	247041.5591	512769.785	179558.788	231359.3143	280135.9403	541511.8346	227304.1102	181409.2948	188631.3953	247647.0419	271802.8765	158619.4647	242284.2047	159768.2017	204559.9948	185555.0913	481616.9752	258782.5222	246886.0159	219874.3451	NA	204335.7794	159613.112	215819.9984	183778.3169	302854.6994	173706.9874	163841.5103	196846.4837	162743.9561	332238.7052	224796.536	259947.5859	506330.9313	238589.8482	211717.4547	282159.5164	349171.3881	327063.8431	229407.068	347428.519	NA	88184.426	177260.373	55648.8606	328748.0743	202602.695	226321.9198	312550.49	416751.7977	236864.0641	342967.86	172726.9246	198818.7075	395197.3491	199297.2554	59980.82618	NA	195526.877	168152.9647	255455.6125	123125.4182	353737.3574	203378.8436	101151.1707	451190.3513	177566.1304	170678.604	90208.28923	NA	177960.726	242090.1593	297506.6932	NA	NA	144100.33	151254.9068	140519.1117	451726.3111	190010.6297	155545.67	228857.3653	153085.8057	168366.2204	391926.6944	167705.6628	151094.9495	202087.355	226204.0266	NA	137532.8827	301542.5713	198854.0369	854354.4792	172448.358	327373.9886	225494.8062	244315.7262	200106.1858	301565.5725	343118.4782	255582.7536	100764.471	251596.3932	315006.4301	196308.8672	156567.7447	NA	69839.336	128174.4105	123501.3092	166824.1959	125714.0956	269049.8486	185057.3513	NA	114580.233	95173.84575	236137.5858	358269.7582	209422.2187	304103.2178	99935.864	187651.8354	162211.4743	227566.2659	291524.84	NA	107953.1549	208172.8825	171900.906
C576	"2,4-Di-Tert-Butylphenol*"	206.1671	C14H22O	Phenolic acids	Phenolic acids	96-76-4	1	254534.3885	263857.9321	258602.11	264550.4455	270821.4764	270065.7831	231356.3792	284871.29	240838.2717	223103.1379	250494.7096	244363.7658	257891.04	228492.7872	252709.1233	217589.9738	267086.875	232569.6495	225070.7869	222175.7324	247128.1905	251824.0507	287342.3628	266570.7125	254757.7427	214372.015	238130.6479	235041.4714	216800.6596	253353.7067	248781.1073	217866.492	219191.2462	233428.9262	239360.4088	241179.4627	262488.1383	246552.216	218863.215	250313.8721	248889.1222	226876.9	233364.608	241891.897	225828.6014	211547.6971	245583.5956	228681.9275	213627.2367	226908.5845	225759.0523	225199.4529	209633.7589	210044.4403	248586.7565	210105.4516	217840.8803	237804.116	215536.2987	224169.3814	203701.3985	203042.4165	239818.15	232870.4881	249341.1915	224191.6135	215346.8638	203791.222	259236.2618	208935.8507	246152.508	216877.9342	188381.172	205649.4094	214657.7811	244540.89	236610.0504	239700.0673	213804.0714	220384.3995	244748.3117	231338.1843	205063.2611	233498.43	205608.0793	225031.676	250591.3771	189586.08	231241.4896	226394.1686	228148.272	230307.3035	217663.24	236794.5275	206874.8964	216137.6726	220984.8171	227678.3169	225778.2784	241719.0019	245668.9	242201.278	243331.71	238678.7425	219442.1501	237939.0364	240178.1913	253582.7845	225065.9589	212608.2011	224100.9913	235654.1335	233315.8986	247708.177	215201.455	228126.3994	232657.3197	229740.256	236037.3243	236128.2083	250995.0827	241995.4335	206850.1106	232278.3305	240495.5174	222890.0182	235237.1411	226088.9396	226346.5744	209320.4727	231103.08	209355.9615	234909.2082	207901.368	235582.8611	233365.4771	244366.2851	248091.4583	252781.3331	216573.2333	234406.0055	242974.7935	248864.02	222755.931	246821.82	227989.3945	229191.0022	249940.3933	248868.06	239456.22	227007.2158	237887.4935	210750.1134	237586.519	232581.4015	235213.9244	232474.0895	254679.7328	241244.9538	226269.422	233642.5875	229357.7996	210179.8192	252109.3795	237066.0293	237903.8985	217344.2489	250150.9777	233496.6022	238017.4822	228173.5637	245020.633	236584.7887	219269.6288	232082.9123	253888.4849	282249.264	271244.4764	223359.4271	258132.9521	254198.542	240345.2708	217845.2983	236039.2618	226748.2752	243660.0129	259209.4998	222437.3438	252678.8894	248752.7545	235107.2808	259507.2208	250043.5482	213891.4245	214731.0738	239888.7035	215942.8762	218809.527	220500.3592	245229.1425	233451.6509	223962.9207	242135.4735	232061.076	231622.2829	215736.4535	238666.288	229223.94	221759.134	258425.268	227095.909	197663.3958	253215.3086	207013.1603	222230.517
C577	"2,5-Dihydroxybenzoic acid; Gentisic Acid*"	154.0266	C7H6O4	Phenolic acids	Phenolic acids	490-79-9	3	185968.8296	283866.906	287135.5723	149764.4887	215221.6184	228975.4729	108644.5772	211615.9628	339419.7357	93159.0045	177401.9661	353860.9307	190737.5468	NA	NA	346954.465	190676.9235	205891.4297	NA	159212.3603	99814.372	406194.5367	290246.4115	374717.4705	213004.0615	214379.1969	44250.58033	205408.6896	200027.877	323605.8027	157538.3242	239247.9405	375051.474	195489.3541	215684.1	196077.3692	142837.8237	113022.3564	315420.2074	NA	414239.4849	93265.627	231839.234	345012.2874	215267.5422	208963.5075	206233.614	181104.984	130407.0587	216137.7999	294003.1016	127372.399	NA	229566.3208	222582.8571	185089.7017	83171.193	81460.2942	168262.7402	208432.3303	314754.0959	208546.1092	217719.5562	255714.4461	250678.9515	188331.776	132010.4833	112908.7133	210550.6027	340677.3	207072.9526	245186.0276	287650.7691	260242.7344	188040.7187	209240.4176	236619.2562	231404.1432	153730.8451	411878.2611	193298.4283	NA	187005.4898	124797.681	247041.5591	512769.785	179558.788	231359.3143	280135.9403	541511.8346	227304.1102	181409.2948	188631.3953	247647.0419	271802.8765	158619.4647	242284.2047	159768.2017	204559.9948	185555.0913	481616.9752	258782.5222	246886.0159	219874.3451	NA	204335.7794	159613.112	215819.9984	183778.3169	302854.6994	173706.9874	163841.5103	196846.4837	162743.9561	332238.7052	224796.536	259947.5859	506330.9313	238589.8482	211717.4547	282159.5164	349171.3881	327063.8431	229407.068	347428.519	NA	88184.426	177260.373	55648.8606	328748.0743	202602.695	226321.9198	312550.49	416751.7977	236864.0641	342967.86	172726.9246	198818.7075	395197.3491	199297.2554	59980.82618	NA	195526.877	168152.9647	255455.6125	123125.4182	353737.3574	203378.8436	101151.1707	451190.3513	177566.1304	170678.604	90208.28923	NA	177960.726	242090.1593	297506.6932	NA	NA	144100.33	151254.9068	140519.1117	451726.3111	190010.6297	155545.67	228857.3653	153085.8057	168366.2204	391926.6944	167705.6628	151094.9495	202087.355	226204.0266	NA	137532.8827	301542.5713	198854.0369	854354.4792	172448.358	327373.9886	225494.8062	244315.7262	200106.1858	301565.5725	343118.4782	255582.7536	100764.471	251596.3932	315006.4301	196308.8672	156567.7447	NA	69839.336	128174.4105	123501.3092	166824.1959	125714.0956	269049.8486	185057.3513	NA	114580.233	95173.84575	236137.5858	358269.7582	209422.2187	304103.2178	99935.864	187651.8354	162211.4743	227566.2659	291524.84	NA	107953.1549	208172.8825	171900.906
C578	"2,6-Di-tert-butylphenol*"	206.1671	C14H22O	Phenolic acids	Phenolic acids	128-39-2	1	294128.4324	316261.6354	292517.1921	308052.3609	324986.0325	331755.1877	276107.0421	342448.8162	285949.1665	277653.9046	287402.43	291682.5969	320354.073	283532.0418	304985.7277	265065.8982	330953.2697	293942.0803	275564.5051	271971.014	315047.556	288058.8539	346318.0249	326220.0155	315879.6788	253833.75	297433.451	292267.7429	269762.6627	310216.9198	286044.048	285977.7596	283858.5428	277558.2991	283618.5225	302819.5419	308028.3497	291310.4197	265556.3495	305804.0229	313283.6803	263302.8129	285130.1925	295702.3908	278050.3975	258945.2295	308240.2338	285121.5798	268531.2292	262687.86	294293.5958	289900.9545	275385.6663	277010.7827	322059.2427	263832.6068	286654.9583	300220.1492	276113.247	273651.625	269179.3808	262807.5065	299761.0488	304572.4973	298318.5022	271817.3194	287827.8668	261192.5138	313417.4105	239748.075	279435.9465	271726.5833	255797.2177	272124.9208	286006.7523	302172.039	306582.99	299547.6086	272112.4988	291657.5208	296494.5357	291575.6417	280774.1867	316494.9385	275129.8428	287229.9143	312591.9358	263661.9975	284248.3333	293431.2331	276643.9583	302028.6058	285064.8122	301189.35	248802.435	282834.9656	305688.9792	284557.5833	279252.4583	306431.4653	295818.5243	295159.689	311625.5817	321730.6667	255988.5613	310908.8333	303220.4393	299845.2499	307630.9206	277844.4167	273354.4755	317167.1922	304271.5605	304104.6875	295690.1007	285686.4747	293797.117	286800.8463	291746.625	297462.744	320631.933	298008.4896	272068.3875	314133.9921	297383.977	270995.0018	279214.9608	298252.9547	278332.8309	259286.8892	282779.8274	245882.6497	298575.3278	252519.3582	278418.0112	284472.3958	301684.9475	296995.6269	308768.9475	274762.1154	278004.2183	300905.9609	301866.8294	276196.0943	306146.666	279107.2488	270973.2403	299408.444	304404.9246	273182.019	290440.583	305686.3301	244535.8671	280367.8238	279242.1043	290183.6034	303857.917	311565.7811	286910.7981	292945.3899	306569.6614	278540.6936	257951.4115	291289.9522	315710.283	273565.8887	267807.547	311296.8813	292328.028	286087.788	288272.4107	309020.3986	283129.0248	285535.692	278131.9166	315899.2049	330563.1844	328810.795	238792.2429	288675.8771	303455.484	269038.2651	277839.2443	290394.6744	293923.2937	292634.86	308440.4657	284361.7253	317067.3985	295244.9043	306382.176	314006.1814	308466.144	282859.9261	273056.2953	286074.7346	260660.2069	277798.7994	272483.6657	299365.2568	304726.86	268976.8058	295674.5674	308507.94	286955.5529	251879.1546	300768.975	287358.6514	268705.7733	303660.7364	277021.1269	257485.1962	316320.876	241092.0175	281154.1593
C579	2-Caffeoyl-L-tartaric acid (Caftaric acid)	312.0481	C13H12O9	Phenolic acids	Phenolic acids	67879-58-7	3	47181.534	37472.036	45452.516	76238.7216	59023.2146	79647.5025	75687.7312	43102.477	33458.551	64076.85	74782.3068	82363.0302	50441.4372	59830.905	62151.849	58513.2504	37761.193	45385.60083	91915.406	48446.2512	41787.8856	59343.27	103222.55	38197.6224	105807.1406	64417.972	41519.856	35922.9192	47571.107	54492.392	67128.852	46997.60057	59733.3288	62992.6912	27633.51733	38436.20571	58855.797	64191.74383	50097.0152	68420.7136	68175.3664	79788.454	58367.351	57744.88071	36254.9922	34925.835	38684.0384	58591.74	56953.4582	44962.7952	62466.7666	39011.424	45706.2768	56646.144	35512.881	50966.702	41021.0304	56602.3648	25014.2564	100933.317	69160.536	65530.059	67428.3914	44963.7688	104073.167	59489.5074	54268.2504	31504.767	77285.5554	79904.3256	32142.52	43711.9768	59819.4176	50027.52233	68421.6872	54982.1128	71922.456	43218.5856	56552.0048	30404.7152	60463.8216	30047.55	48325.6575	61038.65467	60601.732	80859.5504	48628.3992	23033.1636	43851.708	53656.196	89696.718	40448.729	52728.5364	68819.5872	136750.285	52122.1248	52132.8672	75031.646	51905.8536	54204.416	47394.865	56327.49067	38090.9568	38618.9604	83368.387	41104.64333	37166.286	48998.007	48211.1196	43199.17714	66165.9648	52651.6656	68580.4935	66859.1662	46277.4056	58646.7432	53027.124	77860.328	66801.2352	61369.626	51718.216	46414.37333	81810.813	54209.54571	74832.9024	73076.8734	40676.2568	64608.7854	31428.028	48712.0192	51316.5088	46405.24525	51794.614	36166.3192	65489.204	55390.1228	80217.2475	40197.399	54762.0264	70215.7062	41269.57286	42034.432	31916.2398	40810.3912	35434.172	65678.592	46415.673	45871.6984	56434.165	58453.9848	54969.8448	38343.011	72349.4946	52227.19017	50023.5788	42631.1896	59293.41717	44029.24167	57766.518	69196.6824	54506.82233	64556.5472	31065.32183	61073.3382	48996.0688	35590.5952	54493.182	49783.0732	90936.405	44130.702	63473.2928	61159.849	55925.121	40974.822	91860.384	62991.7184	50632.18875	116520.6533	81206.707	89046.953	48039.0246	33153.8544	49575.323	57004.3086	52204.6728	48394.9386	37775.888	58767.8232	100447.8768	66173.13571	52277.73333	39335.094	40928.2608	57735.1704	43631.93714	47111.445	54429.8525	58508.30886	44644.509	38841.18067	55542.585	48536.22857	40953.5616	59381.74033	32909.112	73416.09	52706.8508	62504.3456	65286.4384	63288.868	55958.6336	65960.5416	139481.5867	38493.996	46391.8592
C580	2-Feruloyl-sn-glycerol*	268.0947	C13H16O6	Phenolic acids	Phenolic acids	-	1	280167.9225	391737.288	221380.288	651609.1725	478369.7893	508816.6725	401727.304	150322.288	265108.288	340783.6227	630419.288	278360.4225	215941.921	409290.921	203160.288	133037.6227	459886.921	459905.475	363312.9225	300637.288	247186.3573	198641.6227	711256.6725	234134.288	354109.2685	340721.288	190643.921	390425.4225	593068.288	309747.288	412690.288	138808.6387	97856.987	254176.288	481926.288	431742.2867	148220.4225	569486.456	166720.288	368118.6227	197730.456	276951.288	149465.9573	263286.288	629508.288	302125.7265	149411.288	159432.288	270205.9693	687812.288	790101.424	529298.288	195908.1227	482837.288	185885.2893	365251.4533	134165.3387	303135.098	219598.456	285150.288	228668.288	315213.288	430077.956	637707.288	641667.9225	229579.288	385360.288	215003.288	227798.956	277811.4533	221420.7893	249621.288	359113.4662	265690.304	157667.9573	260505.62	242333.288	366229.288	316594.538	275731.478	294442.538	241834.017	339714.9867	435465.288	304036.304	375061.6725	235881.9855	272075.8387	338899.288	391808.956	268801.456	231443.6227	295531.6725	154805.0053	620284.7867	468903.6	310340.4765	257867.456	369903.6	397818.538	173703.6	440395.7895	174238.2675	271534.956	574042.2893	254176.288	398114.288	355232.2867	452014.9867	526468.9533	272965.504	576215.472	144605.4225	209583.2895	302514.6227	282417.288	343517.1227	269261.3387	363603.6	211424.421	157556.7675	280519.3387	307981.6227	170364.288	867437.956	345276.288	162194.956	364473.956	251011.7265	235434.2895	244199.956	353815.4112	142998.285	197926.6725	263818.484	127732.598	373585.6227	331611.288	346141.6725	667648.12	394542.456	289758.2893	320737.956	223202.288	238689.288	473727.288	597856.7265	485570.288	155172.9765	225106.624	555717.288	420889.288	333372.2867	273400.5175	980349.487	355080.921	405476.456	362651.6227	283870.7265	316319.1533	306103.288	219538.5053	202449.5362	491036.288	396219.7867	311512.2867	298986.285	400009.456	287883.288	366162.2867	577792.624	212617.975	382847.5067	479193.288	348110.098	390969.2907	347161.7893	477283.9533	344302.2867	366766.785	372606.288	608190.8187	296435.4225	333921.2987	248847.285	336104.7867	584976.2893	292739.421	402669.288	378556.464	439939.7867	313391.288	319826.7893	262327.2867	268353.9765	292526.1613	148500.288	241422.288	516544.288	597898.4853	275078.9533	247753.9533	212635.785	253311.6227	358095.7893	324120.478	143034.288	448219.288	388732.3	470169.2893	261512.1227	592472.0362	628597.288	399863.12	194050.288
C581	2-Hydroxycinnamic acid*	164.0473	C9H8O3	Phenolic acids	Phenolic acids	583-17-5	1	154214.8744	168471.366	240286.878	256542.9732	285150.366	151108.9391	68689.5248	120604.908	186169.866	242108.7732	102359.4732	219834.8744	113409.366	262617.2516	49825.866	381916.2744	150117.366	161743.4576	134613.6266	150933.8744	74826.0756	614117.6648	342544.2744	236538.0174	138466.0744	350008.5867	211734.366	71050.2936	123897.366	431131.2744	144217.866	239812.884	284798.6744	190102.866	186368.6744	216389.5164	199279.866	285454.8744	194619.4164	78751.8744	351074.8744	262207.866	166394.1651	112850.5028	254380.6672	265444.8648	180462.8744	243495.1756	120848.5675	344512.8744	241231.866	219724.6838	125958.56	170027.272	91875.8744	209767.866	127160.104	137153.6744	57349.6092	116811.4744	115499.0744	162671.4675	135020.2648	132518.56	159464.4744	348482.7175	130724.6937	108083.908	252675.948	273028.6756	185740.7756	108327.752	255797.8088	72266.8828	182459.2756	208023.2744	176525.6744	131356.5675	166325.28	178494.2744	127592.5947	137213.752	175213.2744	192274.4744	84614.43375	761616.604	270362.2744	252903.4437	212389.866	164796.2606	2145162.665	112989.0687	203765.604	212136.8175	367971.2715	252338.4373	197460.8187	204711.0732	141702.56	277731.6125	227615.596	127160.104	256630.9853	234854.56	190991.1756	328846.272	127966.8744	117324.4648	217748.096	401400.2576	99851.56875	82462.66	366281.2385	219667.3684	233197.1937	190070.928	321107.948	204951.5687	180462.8744	260201.6648	100653.7627	128760.2828	131087.8648	242455.9373	145028.0744	114439.2613	194361.104	104310.56	93188.2744	158152.0744	184203.366	135020.2648	271018.4744	183115.5756	254341.866	335476.752	157519.8756	260936.6672	109376.1588	1012678.776	124704.8756	102265.866	135322.8188	156672.366	116172.9756	251064.366	194243.0744	205398.4744	128485.866	555871.866	141647.66	199935.366	275584.1924	182892.366	328764.0744	188907.0708	246212.6576	140961.8672	154705.866	107219.8275	117883.353	183619.1805	251026.0648	114014.908	131622.6576	180760.2588	159142.8069	141725.4732	88549.68375	247317.9465	168052.908	187452.2648	224437.2446	128485.866	119558.426	268654.3519	224223.0672	648297.366	122717.2744	251719.866	166912.0164	232302.6744	100299.366	202588.2672	238059.0912	158444.848	98332.866	226120.8648	251294.1732	136881.9588	113645.9438	133483.3935	166658.688	202557.366	99172.9332	211755.0912	178303.866	227674.5732	614169.8332	130828.0174	116669.0648	83617.55	122455.4576	203685.6891	173529.8576	192274.4744	320233.4744	155385.0672	154729.4672	137662.866	266392.6965	95069.8672	127174.866	254997.366	104248.2672
C582	2-Methoxy-4-ethenylphenol	150.0681	C9H10O2	Phenolic acids	Phenolic acids	7786-61-0	1	7354709.906	7058938.077	4673972.122	15145603.02	6247917.471	3830078.539	4549439.654	6905591.948	5351642.412	4901814.84	4820957.475	5080854.307	6259240.357	3648431.31	4254157.234	10343635.84	6329442.243	5892347.543	3260264.777	7244347.002	3124630.56	17221062.27	10963174.44	6819066.11	7628521.976	9542718.593	5622990.39	5871756.487	6726737.445	12221082.49	11123161.01	4398907.763	7190169.057	7636414.233	5707891.876	8642634.625	13055367.13	7942478.122	9979577.112	2324138.311	7411725.205	5555610.038	5688124.727	5251599.243	5660751.314	4256468.721	7342614.9	6304519.352	6056436.463	4982594.788	9623336.019	4270367.467	4176984.773	6820219.436	3457463.187	10177783.99	6467979.041	6621079.215	7779339.529	9030160.211	12238193.4	5816588.076	8665540.66	6496926.223	7515578.53	7245113.966	8475550.92	5979598.556	4877655.99	8284213.612	4487518.069	6829078.018	8581531.343	4095663.008	7236147.315	6162916.161	7179967.169	7452905.595	7191087.48	5203382.104	6100753.856	4659952.92	8218989.954	4448961.495	8779396.021	7121540.042	6292222.224	11892980.91	8971642.642	8935967.019	8806579.378	7669025.877	8339550.921	8593643.409	7080517.979	6678402.381	8374863.637	8175650.095	9726309.277	5121748.639	9896756.456	7663729.254	8841296.58	5661190.006	7911812.19	9584463.152	7307581.748	8392971.768	10942575.34	12262482.36	7688039.277	6111951.292	6497126.807	9578270.072	9073603.571	6810872.873	7984600.297	14869255.4	9780412.013	5929581.435	8052640.065	14436262	3644972.655	2360164.62	17952562.99	3223834.297	3595731.442	5582763.787	4556373.792	7408495.637	9245470.511	3625340.303	3332570.42	4889316.78	5870762.907	9533212.05	8777254.769	14173096.82	8477713.749	6969068.189	7024927.386	7895236.984	5573002.007	2890948.47	11095667.5	4248555.525	9545721.45	5929833.929	3857104.033	14663007.15	11150991.03	11471519.32	6838504.935	5330876.551	7884849.164	8539814.756	5771415.577	7651126.905	6612038.25	9931535.156	2868223.172	10754680.77	12282033.79	8229523.672	12887476.28	7327848.931	12043818.68	7236428.67	7816118.901	11572321.87	8133788.82	13080714.08	5636326.398	5140391.9	7775582.565	9684142.473	6789527.827	13106551.65	6317408.764	11747889.11	8026679.865	8366241.706	7122622.222	5083673.078	3888544.868	8101305.195	5859031.452	8523254.625	17072719.6	9843890.325	13138214.04	6918519.829	5190101.088	5208486.615	6462124.877	7517404.314	3999489.18	8182139.932	10575283.57	10037173.62	5063396.009	6721004.91	5770436.026	7029350.309	9582459.833	5788502.879	3722875.356	7187809.609	4882132.599	6275709.33	4533129.624	4971784.425	9928842.898	7337128.14	6959737.425
C583	"3,4-Dihydroxybenzoic acid (Protocatechuic acid)*"	154.0266	C7H6O4	Phenolic acids	Phenolic acids	99-50-3	3	185968.8296	283866.906	287135.5723	149764.4887	215221.6184	228975.4729	108644.5772	211615.9628	339419.7357	93159.0045	177401.9661	353860.9307	190737.5468	NA	NA	346954.465	190676.9235	205891.4297	NA	159212.3603	99814.372	406194.5367	290246.4115	374717.4705	213004.0615	214379.1969	44250.58033	205408.6896	200027.877	323605.8027	157538.3242	239247.9405	375051.474	195489.3541	215684.1	196077.3692	142837.8237	113022.3564	315420.2074	NA	414239.4849	93265.627	231839.234	345012.2874	215267.5422	208963.5075	206233.614	181104.984	130407.0587	216137.7999	294003.1016	127372.399	NA	229566.3208	222582.8571	185089.7017	83171.193	81460.2942	168262.7402	208432.3303	314754.0959	208546.1092	217719.5562	255714.4461	250678.9515	188331.776	132010.4833	112908.7133	210550.6027	340677.3	207072.9526	245186.0276	287650.7691	260242.7344	188040.7187	209240.4176	236619.2562	231404.1432	153730.8451	411878.2611	193298.4283	NA	187005.4898	124797.681	247041.5591	512769.785	179558.788	231359.3143	280135.9403	541511.8346	227304.1102	181409.2948	188631.3953	247647.0419	271802.8765	158619.4647	242284.2047	159768.2017	204559.9948	185555.0913	481616.9752	258782.5222	246886.0159	219874.3451	NA	204335.7794	159613.112	215819.9984	183778.3169	302854.6994	173706.9874	163841.5103	196846.4837	162743.9561	332238.7052	224796.536	259947.5859	506330.9313	238589.8482	211717.4547	282159.5164	349171.3881	327063.8431	229407.068	347428.519	NA	88184.426	177260.373	55648.8606	328748.0743	202602.695	226321.9198	312550.49	416751.7977	236864.0641	342967.86	172726.9246	198818.7075	395197.3491	199297.2554	59980.82618	NA	195526.877	168152.9647	255455.6125	123125.4182	353737.3574	203378.8436	101151.1707	451190.3513	177566.1304	170678.604	90208.28923	NA	177960.726	242090.1593	297506.6932	NA	NA	144100.33	151254.9068	140519.1117	451726.3111	190010.6297	155545.67	228857.3653	153085.8057	168366.2204	391926.6944	167705.6628	151094.9495	202087.355	226204.0266	NA	137532.8827	301542.5713	198854.0369	854354.4792	172448.358	327373.9886	225494.8062	244315.7262	200106.1858	301565.5725	343118.4782	255582.7536	100764.471	251596.3932	315006.4301	196308.8672	156567.7447	NA	69839.336	128174.4105	123501.3092	166824.1959	125714.0956	269049.8486	185057.3513	NA	114580.233	95173.84575	236137.5858	358269.7582	209422.2187	304103.2178	99935.864	187651.8354	162211.4743	227566.2659	291524.84	NA	107953.1549	208172.8825	171900.906
C584	"3,4-Dimethoxycinnamic acid"	208.0736	C11H12O4	Phenolic acids	Phenolic acids	2316-26-9	1	49629.07433	58078.1145	53098.85842	70475.66533	53655.451	49623.378	32889.87773	69968.25188	72069.54	53360.9085	35249.23625	69451.80792	52266.11036	54810.18755	42183.07591	74792.29767	60765.58327	55692.81709	35914.0635	59281.36255	30521.22464	101453.314	89292.476	63394.09818	42353.14436	76193.56255	35957.66	54916.21175	37093.31733	137044.788	41753.5545	37224.07842	43936.46109	53489.25164	66305.49975	71635.58764	63676.221	112490.5127	47745.861	39639.85445	105899.3262	41564.24764	76632.504	89218.23717	72776.6565	54322.89692	34244.894	22884.355	33560.73	75414.38882	57120.34075	48101.874	50902.01313	56821.956	34288.40588	57396.34125	50074.59282	55200.50125	43951.66091	51714.39343	36348.8832	22421.421	56832.25786	58836.97891	77699.28375	37185.382	66448.177	49223.69925	28547.67257	98248.66237	32696.95313	43875.62175	37183.4625	49466.732	37441.33462	56630.8548	46873.152	72590.83543	48365.80629	50446.36012	70036.62429	48815.3232	82385.19333	28961.7352	57417.5952	59682.245	59651.72943	80714.8032	64864.3218	58721.6432	116121.5526	44504.68914	60522.16629	47459.25225	57430.863	49506.3404	105797.2997	89813.06288	138923.005	210346.6606	97010.3232	136307.3316	145510.3313	117866.8286	128319.4	234694.6944	138670.2439	111885.7677	99357.8906	109801.5578	113197.7203	193531.5592	194589.4509	139394.668	88621.92771	171042.6803	NA	146708.5312	125088.4286	81453.2374	93604.542	156004.139	75321.288	59857.226	183169.3481	42923.3694	53739.88029	115840.482	90765.40583	44255.7675	99876.7224	100547.1705	47174.337	74808.41575	47574.86914	84481.54371	103258.05	119960.5683	81578.2385	235068.244	76310.31	80796.47643	140759.6335	69788.2555	95792.6725	63512.02067	132929.0229	108277.2305	86275.67345	319868.1304	118199.8967	98350.20833	64763.415	71709.62829	182678.9319	116208.9258	146354.67	107979.48	124311.59	86850.40712	54648.8775	60096.05067	205159.638	140329.4434	189252.4684	112103.024	159646.2363	103187.763	76703.05325	119791.6171	93587.2175	99810.7775	62012.25818	98922.41786	92347.84	63450.702	104232.625	176283.7212	73396.58391	179561.862	159869.6632	101792.943	103555.056	161168.1573	85027.27273	91238.257	86915.5056	113328.4075	126684.6504	109277.4118	111041.1024	64361.69429	108704.8534	111606.6491	163996.48	128345.5989	76466.42743	101399.7747	173921.73	112817.0817	121131.95	95779.0575	122985.993	112685.2965	100894.898	103561.02	63362.25	112337.442	81758.07	101716.1573	197040.8798	86805.34533	103132.1688	91432.60483	43319.367
C585	"3,4-Di-O-caffeoylquinic acid methyl ester"	530.1424	C26H26O12	Phenolic acids	Phenolic acids	114637-83-1	2	5675.04	NA	75646.974	16257.0155	11572.71	7003.73625	5764.1475	8175.15875	1966.118	12663.5936	31283.44	2525.04	18721.4436	5238.618	NA	13239.0315	6849.99	5124.953	NA	7601.1936	3830.552	4416.208	11516.95067	10145.2032	4373.998	3132.5045	3133.756	33389.05375	13561.1448	27217.9936	10087.708	NA	15129.04133	4529.379	16033.974	9060.035556	8944.108	46208.54925	14110.974	17352.5088	1916.552	2589.879	NA	3133.756	27725.15217	21835.30375	5038.518	8200.283	634.0315	12346.1015	31975.61733	NA	9708.761111	NA	5815.4436	NA	4499.43	37191.8085	NA	NA	18516.77333	NA	3192.552	6291.285	5136.974	18270.20533	36502.45667	3192.552	6468.879	16240.86875	5150.330667	9639.67875	14739.19444	5714.307	33708.93778	1941.876	29753.8948	17020.5315	NA	3192.552	10787.3092	NA	51196.39875	1884.9096	6316.716	33977.55617	7082.361	15394.97517	11643.92333	12775.108	38368.95067	9745.2425	14873.379	NA	102149.3088	2558.44	NA	9054.879	4443.5044	9602.6475	NA	3177.5585	5228.5275	3155.0315	NA	12205.4035	NA	12665.5948	12189.5585	30847.71	2558.8325	6247.498	NA	2666.664	5639.7096	5045.7815	45171.23625	66894.834	15279.36375	5818.2075	6403.8975	18559.90222	10930.21	6844.488	10998.70222	15392.974	7472.49	NA	1265.04	13259.54933	5684.078167	13313.2032	10085.04	13364.98625	4388.1096	33708.93778	9588.1644	110260.974	11453.71222	25065.21	1255	NA	4415.5315	5744.552	22062.5315	NA	8244.4032	31796.04667	NA	43092.4032	7059.056167	8911.267778	41507.608	7702.976333	12215.21	NA	17315.974	10922.36513	4526.7075	13239.0315	NA	9330.871125	3192.552	1981.623333	NA	15520.92333	NA	NA	15902.99	NA	14580.4032	4381.168	19667.8104	NA	7752.5448	NA	13996.15667	NA	5045.04	6945.244833	NA	14723.52375	NA	22817.2032	8911.267778	8913.8625	12828.974	NA	10280.55263	NA	157284.9507	NA	6441.7208	18756.59333	7028.608	NA	7856.618	NA	28277.71	16616.66111	5095.36125	NA	NA	1943.379	NA	26930.974	NA	NA	1868.488	NA	4468.552	9002.71	31160.38	24422.71	NA
C586	"3,4-O-Dicaffeoylquinic Acid Methyl Ester*"	530.1424	C26H26O12	Phenolic acids	Phenolic acids	-	2	62982.73625	23883.8436	456234.8436	107144.1448	76465.21	81521.74013	38791.4296	38809.98625	10765.1936	90353.8625	308627.616	37537.73625	70221.77333	51532.48625	19768.26914	98579.10343	58003.19657	19733.98875	24261.77333	57268.8625	19946.9184	28800.77375	148859.6112	61074.36125	43835.01125	29268.11125	28631.98625	200467.71	100708.328	213524.8406	101999.328	19985.28513	107719.6032	62818.80617	42597.5436	62982.73625	74549.3112	424350.974	145678.9862	149137.3291	43262.86125	45171.23625	20916.4032	5676.0315	131305.7691	78229.38914	66799.48625	61695.24629	5744.552	59165.98625	202742.1874	119512.71	26221.61733	26779.19771	38090.61257	70356.3448	7543.78125	323441.6149	32127.7088	3412.728	134259.4697	52953.04457	45180.1125	43017.17875	56157.5448	107772.8436	263630.0777	45267.62743	67134.89829	129733.1448	19135.12625	17817.86125	101815.6731	53218.89183	206110.8612	32292.47314	125954.6948	129775.8612	14702.292	69330.36	59360.49467	36486.4	442484.7726	27355.10343	59935.2	287139.6395	51685.656	76025.72057	36799.75543	40676.828	237090.21	40661.6436	204599.5448	32000.14875	701178.4731	58098.89829	55965.60229	67118.9436	17444.61714	31354.1475	48417.46971	27521.02375	33913.1475	27127.9575	35998.9124	96541.08	25174.4436	89879.3948	104560.2	206616.0446	51839.5788	60142.8975	41313.18286	36242.352	45161.10343	61189.62514	307254.7362	475861.2612	71658.246	51661.75886	42869.6475	148363.608	59409.47314	63311.33486	42635.1125	105623.8625	36168.4575	24622.79662	15427.71	120486.6092	31054.0032	61688.31657	138301.1966	73141.96057	24574.02412	225764.8177	90261.10286	626532.2691	149151.7691	208820.21	21699.77829	33786.33943	16867.63257	55329.74514	101388.488	16385.04	63557.17875	311677.8406	54064.10343	254353.0309	36901.61125	45571.36287	389183.9448	20412.48686	73613.616	45899.912	106448.8406	45850.97314	35345.21	115580.4017	40718.36125	75386.93486	15306.76914	15504.04343	33585.4575	129755.828	44620.19657	52904.91086	54816.768	21567.0092	59151.532	17604.285	186556.5074	41464.07771	62358.8625	23891.184	117921.2691	69334.05375	27763.75543	19962.02162	31812.61125	145913.9531	5786.737875	148647.564	30540.36125	50068.0515	135550.3269	8403.687429	58118.18743	40685.83029	1159879.679	31457.3015	46012.0315	114301.76	14690.608	53586.828	53598.68743	54185.55486	215009.4017	52629.608	28418.616	11629.328	40445.74013	16788.1448	28418.616	98753.9448	29067.47429	21852.71	13998.36	78124.472	22340.93867	43099.2044	178813.828	176916.4731	10482.472
C587	"3,5-O-Dicaffeoylquinic Acid Methyl Ester*"	530.1424	C26H26O12	Phenolic acids	Phenolic acids	159934-13-1	2	72281.3436	22593.2436	563015.1067	104581.328	74648.552	66185.21	41334.6296	51962.8032	10186.3625	94927.5936	226810.21	31490.21	59688.48787	59760.21	33545.9936	106020.21	56075.04	16552.11375	26350.21	65818.7936	26176.77333	34219.246	97333.48625	52436.24425	41160.45763	32913.1936	18328.618	273070.21	70597.17537	169417.0504	82284.5948	16643.14875	96948.4032	50631.5936	77841.9936	57057.974	79441.97543	303944.0436	160042.1436	108477.8651	23542.98625	64537.7436	11456.88914	13867.21162	160105.9936	67668.44	92450.55488	70693.7112	10820.48625	62972.71	179736.5537	74469.05375	32775.21	29050.7448	22470.61287	52285.1448	16205.2748	287210.7448	24084.4032	7640.045556	118723.7379	50077.80375	37229.42537	53929.05375	44813.36875	134124.2379	318785.9436	49703.5448	52605.86875	172329.5448	17463.258	28277.71	91157.064	39031.1475	249297.71	45619.602	137346.8948	120391.6032	13330.6665	52684.5088	77965.8465	29185.4116	545597.3664	27886.0032	49459.608	351696.2436	51685.656	65966.91537	47759.9436	40437.86287	213317.71	22412.49	154258.3448	27908.0092	636109.6787	45824.0436	58118.18743	72522.23787	14317.2045	64717.7652	61311.2436	40127.9652	52135.0284	30425.2044	32141.34	63922.1472	25952.3936	99372.8948	110341.0092	182304.0538	50536.1736	50093.608	31812.61125	31993.8975	43697.71	53908.04925	280780.21	605144.247	71525.2948	48156.86737	19352.58	117931.608	43055.21	49420.602	64821.98788	102039.8629	44993.2032	20165.04	22817.2032	107804.6092	35489.2032	63622.39913	121094.4823	74138.8032	27762.03788	223857.032	75117.77	756416.5448	132840.8629	216103.6173	16545.61125	32823.358	30205.21	50878.74514	106854.36	13296.3936	55212.80375	285414.608	44359.6032	328112.4594	41717.17425	49421.48787	469858.9448	35466.39625	68112.71	47088.8625	74447.30037	63550.99013	38557.71	90515.92875	32747.17875	72942.97787	10210.552	16698.67763	44300.92875	140541.1129	44283.67425	44620.19657	50631.5936	24703.27125	43012.99012	21833.17763	150328.6665	33727.6125	66747.05038	21185.17425	102039.8629	57190.21	15412.05038	20286.0044	23420.7045	160020.03	8982.974	121656.7103	49695.8436	38731.7448	145032.9254	15427.71	71252.74013	19282.71	1202243.429	23887.5448	39898.5208	98218.42875	32095.92537	52295.828	50714.74012	35444.3936	245442.71	49097.7	26328.42875	14849.6436	50714.74013	16606.108	19649.2032	115534.3448	33727.6125	16544.31771	10284.5076	103985.1776	16070.21	34647.5855	250596.3936	202202.1787	10977.8436
C588	3-Hydroxy-4-methoxybenzoic acid; Isovanillic Acid	168.0423	C8H8O4	Phenolic acids	Phenolic acids	645-08-9	3	41210.34667	43848.68133	36609.2568	59620.34667	18378.5	46380.1988	16555.968	52607.01333	36834.01467	67510.34667	159344.502	45585.012	32213.723	30936.87333	36555.7215	71003.512	19467.845	32443.68	23410.9175	24553.68	17543.68133	50110.032	58743.68	81931.458	30954.0555	35741.958	35006.4988	21490.208	27853.2215	31503.5	127147.848	15976.09733	23903.85	34148.002	47660.295	41218.18133	22631.7215	51730.34667	16666.848	8710.223	27188.848	75830.958	19767.70667	20166.512	34203.51467	30455.22	14125.295	65744.512	62206.512	36820.012	41202.512	26260.5	63127.01333	45593.68	47868.9715	68400.01467	60895.292	40094.8568	59261.96875	41842.458	48232.848	44717.01333	117662.958	37425.9715	46479.18133	40048.223	56004.0988	16628.5	21927.848	48753.223	35080.348	28882.1988	32300.4775	30686.265	14003.5	20137.8012	40970.958	37696.512	24547.26375	36827.01333	56611.13333	45638.0308	58734.265	27853.2215	64570.3296	55786.458	71346.0345	49679.096	33998.958	47347.01333	41202.512	28060.34667	49100.34667	37452.8	36827.01333	30509.4568	40333.68	23508.723	39155.22	84944.38125	46470.34667	42685.968	37459.968	25382.5988	17343.6675	23501.9715	21927.848	50853.68	29283.59733	62250.34667	24357.624	31695.639	39457.01333	15921.8055	34148.002	18309.8568	18385.5	23670.88875	43857.016	58743.68	33975.968	57404.95733	18580.71875	19150.7215	49685.958	26982.9715	38573.012	20926.458	25382.5988	21781.968	17650.2935	20174.18133	10467.2568	21043.012	20166.512	21010.5	54914.958	46199.958	28937.01333	56990.34667	18417.01333	7792.962	11474.5435	32385.5	7119.558	27853.2215	56990.34667	10503.5	21185.295	40326.012	33944.9715	34197.01333	35000.328	50447.624	42103.016	20897.223	59620.34667	27500.20667	36412.1675	33264.3012	21008.0988	32406.88125	28065.68133	56004.0988	34203.51467	37553.49333	25283.958	11403.68	20054.958	18294.46667	32437.512	35067.012	24132.338	26152.4568	11254.962	26312.01467	21923.68	31567.01333	16396.125	43848.68133	31850.845	75416.264	17540.34667	28739.9745	73661.01467	32783.625	29638.0568	35950.34667	16990.188	32437.512	42087.01333	28937.01333	55135.5	28885.5	36613.458	133349.958	29791.1108	42464.845	20170.34667	28929.13875	49004.8988	46583.625	33260.5	33822.1436	29760.5	61008.4568	42005.6988	37703.68	41135.5	56990.34667	28931.512	47758.3425	130630.3467	18213.04375	98478.6568
C589	3-O-Feruloylquinic acid	368.1107	C17H20O9	Phenolic acids	Phenolic acids	1899-29-2	1	199619.2024	290691.9036	243832.8024	222342.0012	128097.2024	180113.2024	101657.4192	210672.6024	252257.535	303288.5362	284795.4024	230038.535	240494.535	559830.0024	149619.944	216315.035	336250.9116	394269.3116	102858.7116	268595.035	187915.6024	192819.8432	462689.763	231999.035	184705.944	401255.535	133974.035	167785.2036	148731.5794	290814.035	55274.8024	276895.318	139582.248	246623.5128	296695.535	313181.2452	109908.6903	284795.4024	173537.4377	141162.535	550253.535	154915.944	679643.1104	722819.914	529025.8452	209126.535	96674.5452	101952.535	154915.944	1344979.912	498834.3343	550642.5012	393476.4771	407577.2945	218475.0024	249684.6024	333986.9475	402514.7949	215661.535	537146.4046	159837.9377	202577.3869	268099.8651	271209.3343	521839.008	91700.69029	277643.2024	501673.0806	99157.86514	661428.1509	219582.535	348322.035	207184.818	319943.4192	77773.035	237019.1051	184043.944	328438.914	301698.6192	382309.263	298486.4204	220510.9475	337796.0966	87048.7128	216957.318	170403.9771	159487.9149	192729.7383	188500.364	254272.1189	96902.976	312455.2937	202899.5474	112217.6944	204222.5486	104706.1036	158055.0048	129431.4771	196348.4366	454825.5931	209961.628	401118.6987	187523.9537	172310.8024	265330.2036	154066.1051	241801.535	99562.2116	80806.2192	81933.0024	120535.318	376574.818	212623.2024	160082.9537	100221.5116	270607.2863	92309.9116	622977.3763	149642.5452	110448.035	167469.0192	157469.5251	94286.8024	100462.4366	103417.1914	66328.2024	179437.0452	216291.1128	143735.3116	96052.87633	104689.3194	166810.8116	56931.3428	94702.5464	44783.67771	111223.944	96789.03371	270786.2811	122211.035	163267.9783	206098.6777	83465.87375	190030.6452	81709.66125	181717.1051	146309.944	353515.944	118874.8514	120558.8738	516876.9634	197401.2863	267484.1383	97644.0445	170536.668	367421.8331	197000.7223	534695.7945	250334.8024	187561.035	113062.035	132547.3128	47839.8025	438487.7086	379923.8206	425256.4116	254273.0456	310788.8206	213305.9229	149927.8526	179670.1774	182634.0116	128794.1383	139240.4149	220593.7097	250370.4046	72649.85143	278050.9954	120963.5474	194665.3452	258086.5337	509634.2491	268540.2394	335905.535	375769.035	273427.9954	227383.5445	227468.0362	278982.976	291988.6903	420746.392	197718.9771	269902.035	235485.5794	119186.1063	387836.1257	233776.9943	142438.62	163900.4057	153424.392	346289.7394	258772.9634	521186.7223	294328.1063	279188.7223	226927.6024	236064.1189	137220.6903	470102.4024	340466.2926	193739.2937	577452.392	192135.535	235901.7945	140451.0024	137895.035
C590	3-O-p-Coumaroylquinic acid*	338.1002	C16H18O8	Phenolic acids	Phenolic acids	87099-71-6	1	1456822.092	979998.2067	4987598.689	1915956.174	2103998.428	1692976.774	2462156.092	1031809.974	6076000.056	2797163.589	572101.7736	4813034.877	1899463.255	2556710.541	613947.7736	6480032.44	2355634.487	1114829.129	1975060.581	1857071.678	747854.9736	8864880.791	2652164.669	3179016.363	899696.1736	749557.1115	3380519.054	1642533.332	2940524.398	3310133.653	487811.9736	2158426.175	3776153.15	2817747.66	2557390.08	1565047.574	3047625.446	2259383.904	991502.428	1473232.775	6434397.187	870824.682	2470064.167	1870525.555	1003713.374	2942674.155	1590141.64	1113694.973	502756.9736	1874959.05	4386438.548	2030670.49	2537278.453	1425143.28	1263756.374	2607012.002	1648095.176	1322778.746	1073058.174	1510900.475	555391.9493	1381115.063	701025.0225	2446301.617	1330112.174	726931.9736	1993506.293	1688009.056	437669.9748	3921644.037	1293692.868	1374780.242	2091057.199	430158.555	2092824.188	817506.8055	2165917.884	3824335.58	2125425.436	5601637.354	3846036.354	4734396.88	2706377.609	2351321.544	3029927.082	2543528.548	5024350.217	783300.618	1174211.413	4293712.44	1916701.636	2687822.28	2964540.355	2243420.124	2219843.646	3046009.384	1289424.336	1216079.291	2647358.766	3124209.931	3149510.496	4275837.356	5739054.12	4203459.994	5200922.99	2153127.585	1523096.432	1331773.121	1951093.662	2980840.03	1533022.775	2707259.251	1895212.972	4128204.395	575741.96	2097148.674	1526812.985	2948679.002	1616037.647	1621511.975	2949964.46	6044291.296	4736365.813	1590752.974	1758417.94	4373040.907	1442845.451	626533.3362	1565268.84	1401334.242	1898316.923	1075570.555	1810130.031	969203.0748	3133281.666	1321964.075	4608325.314	5829612.293	4645039.07	3068608.52	826764.5736	1830088.428	3164170.506	2691044.524	1091584.092	1349241.774	3028344.952	2671732.891	662871.067	2726557.93	1900757.208	1405434.974	1919549.362	2427171.292	3262678.118	2055850.451	2346475.732	1113106.428	926476.1496	1032580.475	1184467.974	1347448.374	3888648.328	1480374.973	5619088.468	1648056.26	3602700.684	1404474.275	2409819.78	3962750.392	1295439.774	1885004.722	893447.2462	708516.242	1366372.207	1761021.64	1583579.374	4665227.613	1760528.174	3622650.336	6026895.184	1263808.307	700148.0748	2489234.286	1948539.749	4993168.083	1855933.467	2123053.197	1332712.092	1450456.207	1552493.774	542439.3084	1870523.374	2129655.268	1048263.691	1518354.099	652486.0935	3772948.699	1277829.96	2935868.176	1462823.774	2328601.933	1269024.428	3540362.941	1903006.54	3030346.594	4082814.985	2113464.095	2448345.123	3873808.596	2967201.821	2181940.367	733630.4748	2471851.589	763397.7736
C591	4-Allylcatechol	150.0681	C9H10O2	Phenolic acids	Phenolic acids	1126-61-0	3	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	606.144	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	986.3504	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	508.74	NA	NA	NA	NA	501.6026667	NA	NA	NA	NA	NA	NA	NA	32149.295	35748.04725	25144.088	49793.152	10123.318	11350.2865	11512.5964	14106.70227	48519.80137	25619.38186	19982.62714	45671.90587	28620.6264	45590.29714	46561.78	21031.99683	23420.85775	607.6746667	NA	NA	39886.1464	37578.522	52815.383	24433.50971	39233.21486	28291.00186	17016.58371	18695.346	34910.94857	26810.37686	33141.47571	20701.06971	18302.41443	31339.126	43621.15838	22103.67562	53770.906	24559.038	72889.79029	52350.38325	NA	NA	46226.1965	55696.885	609.5824167	9599.657714	25620.29057	38674.88	18894.89614	15730.753	18596.64	59616.30675	28187.52	28983.44214	NA	29482.41686	NA	NA	NA	30453.85525	NA	38930.67425	30560.70857	33794.98214	NA	35993.91	29927.81018	43277.64491	38279.52442	27178.146	NA	NA	NA	NA	23941.11486	26297.57375	NA	NA	39925.88473	NA	54654.46955	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	12564.96683	NA	NA	NA	NA	NA	NA	NA	NA	716.21	NA	NA	NA	37264.21945	NA	NA	NA	NA	37371.87313	NA	40222.02782	NA	NA	583.184	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
C592	4-Aminobenzoic acid	137.0477	C7H7NO2	Phenolic acids	Phenolic acids	150-13-0	3	NA	20787.56025	NA	NA	16134.2676	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	25769.026	NA	23507.05	NA	NA	25293.37	NA	NA	NA	NA	NA	28208.225	29538.75513	24871.17111	NA	8207.516	NA	NA	11804.72	NA	9595.597	12188.7315	NA	38173.69325	NA	NA	NA	NA	NA	NA	16986.526	NA	NA	16244.1588	29953.94325	NA	32424.0728	NA	NA	27124.074	NA	34853.81763	25526.435	NA	NA	NA	NA	40755.129	NA	22454.38125	NA	NA	19460.574	13701.264	18871.074	34202.79	24529.96	NA	NA	24744.49527	24602.2272	11231.364	NA	NA	29199.58	11888.5655	18404.435	22923.4512	16020.8172	28307.8752	26943.273	NA	32945.41029	21357.488	19139.588	25407.50625	NA	24927.68375	42535.63125	26644.33667	16796.5985	NA	18997.935	32019.1695	37314.84222	NA	NA	28419.83667	21822.2752	21818.574	NA	31664.67638	NA	NA	37918.66163	NA	NA	NA	20050.074	NA	NA	27739.44	32449.091	23134.116	NA	33273.504	28001.09867	26539.29	43457.81825	33608.574	NA	NA	NA	45976.98262	18807.05	NA	28307.79	NA	NA	21229.074	36625.50513	34266.88125	29495.7565	25533.87163	28779.69325	30541.06825	NA	27872.2905	53438.94325	NA	51677.56825	NA	NA	30557.05	NA	35234.31713	27648.76629	29159.58275	NA	NA	43121.69263	35377.074	15214.934	33082.13013	NA	NA	NA	20559.94325	39935.06825	NA	28303.074	60484.44325	35377.074	NA	28487.93375	NA	NA	27713.574	NA	31313.75625	27718.2752	43630.074	NA	NA	25786.29462	57848.99838	19460.574	NA	17114.72	24176.574	24094.55	21951.8172	58967.0752	NA	65903.06025	41862.34444	27708.8728	NA	NA	NA	NA	NA	NA	NA	NA	30129.31762	14355.588	NA	NA	20652.42433	26696.6172	20655.9	NA	40682.574	28782.75687	NA	32562.67	NA	54250.2752
C593	4-Hydroxy-3-methoxymandelate	198.0528	C9H10O5	Phenolic acids	Phenolic acids	55-10-7	3	144976.098	117137.3227	129210.816	189210.404	133537.071	108500.4315	149266.0235	121792.5945	129874.6027	106599.2	183934.9973	133127.728	183223.05	164066.52	259123.7547	198672.67	215874.918	157957.134	174340.128	164249.804	128591.9685	158411.876	172751.072	181758.3495	122958.972	155485.1505	230907.3315	86243.496	109060.1067	171558.153	118912.3265	170576.832	142747.815	216020.692	91217.692	133170.685	145410.432	168157.3305	138423.465	100974.0983	217805.0933	183303.765	140438.784	193195.1055	131079.221	113375.465	98614.18	171955.328	105331.3707	163212.228	157957.134	106907.92	129828.528	124282.0693	89335.4625	239562.1125	123294.2205	122613.82	185251.121	229259.785	352077.672	188907.7867	221942.559	164994.95	210814.659	105718.4565	166226.0693	97251.872	142501.8435	174340.128	138484.4445	148927.89	183047.796	121738.965	151466.616	151157.76	167539.6185	166162.524	144357.2505	180212.934	157648.278	145283.8185	194740.521	242342.952	235543.578	253155.5345	177122.103	140086.275	158769.7387	150847.7685	138792.165	161254.4213	173722.416	224948.8107	236366.02	122417.1307	306260.374	112208.9745	277583.1945	253531.2213	173336.065	161567.1467	173683.5413	165994.203	248525.7495	127046.553	211742.3625	210966.336	140956.428	203396.4375	197141.549	179824.86	172751.072	182067.2055	164599.204	229361.916	178280.125	193568.992	305091.8175	120828.477	233071.5945	305418.5173	213726.535	182382.784	266145.303	162285.66	141640.317	111248.432	172699.478	173954.64	139719.8685	237928.166	327513.33	153012.0315	175576.6875	264907.608	157029.4305	224637.2267	217615.1685	153562.095	95982.061	206488.404	209414.1227	178358.6625	122100.315	263363.328	222801.8375	148491.6417	130389.935	146342.9013	147138.09	142302.5813	130234.05	211957.845	250381.1565	160945.12	128900.8245	199069.047	107263.872	248799.614	210911.4095	269998.3787	129608.45	283194.2685	314984.2935	87442.67	160945.12	141640.317	196287.072	157029.4305	183999.3155	209794.535	223952.057	76319.67	177430.959	159344.073	151934.2933	197918.6133	170012.7375	284073.7125	199290.11	132920.4945	101601.4933	180208.544	102936.4815	140647.572	106708.085	131741.896	162285.66	160740.2445	157526.8267	157648.278	146448.599	119224.9905	122409.171	109736.991	139719.8685	111282.4065	152703.1755	189795.4185	144788.4053	150846.633	179595.222	104481.897	136711.1893	146147.14	97372.5315	110150.8375	88247.115	190638.005	128283.1125	144666.1065	211277.92	109058.9653	122728.7147
C594	4-Hydroxybenzaldehyde	122.0368	C7H6O2	Phenolic acids	Phenolic acids	123-08-0	1	106236.3332	125850.984	175382.9088	275158.0608	134143.9016	154861.2678	134932.8224	136778.7984	173621.574	180290.8176	139269.745	141156.6454	160855.3308	104471.822	81208.018	136210.102	174550.4869	171909.5261	126344.53	166192.4243	121421.3088	191869.524	238894.524	135886.576	120619.6176	177144.5016	154239.41	177288.6034	154634.3759	209887.632	173785.4998	194868.3748	213672.6742	177277.41	136747.632	92367.548	201276.8134	232820.2332	135842.8375	128217.0164	188306.1596	175833.444	135522.745	150081.2069	170578.7252	111332.9509	149710.21	222377.112	140166.8529	148074.0875	236641.2693	151066.2164	113043.0113	201424.1768	145674.6129	138787.71	177883.128	172608.6743	118510.524	182261.66	194908.0575	116629.524	105356.331	191473.7332	211347.331	132046.0176	178539.2455	130950.83	152983.9174	152733.1754	167568.4164	159582.6596	180730.9828	133177.2671	132173.331	147528.7613	176867.4475	150815.502	122243.464	114172.0575	148261.9337	156832.65	108572.6363	153559.2828	121337.696	166162.524	126332.8176	220676.3228	160610.9633	206816.8596	167358.8875	172368.245	151614.1088	245752.3228	142392.245	136044.8228	158332.5996	148199.7996	202879.584	178075.524	188437.6375	148947.1732	232721.2576	119369.7596	157063.0575	200059.1462	238898.8875	159240.1228	138668.112	220361.1984	178024.3713	158007.584	149578.2732	218737.8296	200470.745	177544.1363	200534.6362	233251.524	131673.4467	131276.3732	158371.632	166789.524	164883.9142	110986.524	209458.6164	151261.0584	96099.696	208373.4467	140118.255	174484.7761	154224.9228	103673.245	170621.9011	136477.9722	103963.1004	219307.65	154952.0245	266448.4384	130414.9088	187878.8164	101581.524	145673.6004	119764.524	198577.331	223967.7678	217288.7438	169297.524	112330.8584	181425.7046	263279.502	182104.3944	171972.4011	130367.502	180782.3921	205607.71	134907.696	146816.6596	196469.7193	192134.1831	155546.7086	127288.524	174191.1732	197510.572	108563.296	279140.1375	192727.7088	134273.6496	167458.8311	159119.6343	214096.42	147305.5216	145660.4242	174481.5429	204624.7069	151307.5261	173581.4862	273476.7509	401795.6651	197866.9088	348188.5088	236760.064	218805.6743	176723.9445	302840.7583	168542.4907	251087.9705	145471.524	139480.6732	287861.7783	144335.6363	234524.502	170505.9558	179329.524	131907.4732	194067.4926	194231.4794	132773.6411	112969.0584	175219.1016	201673.7703	173097.8211	114981.3875	152658.8796	166379.0178	149473.8875	243396.3397	134667.8584	149291.6213	101820.1212	145190.1088	149376.0886	129631.1004	221440.8613	179203.4599	144213.6101
C595	4-Hydroxybenzoic acid	138.0317	C7H6O3	Phenolic acids	Phenolic acids	99-96-7	1	254425.1287	316296.2967	243929.2682	265800.08	198675.1536	233493.0888	224818.5178	233771.0982	187332.0167	240059.7815	155524.4425	NA	NA	233180.8208	165940.5148	186423.7788	201785.7787	261570.9913	170070.7228	NA	100967.0245	201227.347	238836.9425	328366.54	NA	153649.1189	238998.342	153969.2257	220590.7872	215376.63	258346.1833	178410.342	160144.0055	267962.6145	NA	217910.9876	194648.7833	NA	NA	129682.7583	249887.5633	252913.7589	149516.8696	NA	319999.8356	206302.5148	111039.7613	322401.5422	247187.4067	141655.1407	220103.4696	188727.84	137646.66	250542.74	143025.7607	232259.61	183879.1815	226883.04	319221.342	251389	260380.8525	160523.1925	210818.516	129367.84	195191.1407	202167.84	229851.5178	187214.847	222754.0315	193767.84	148945.6722	152219.53	206743.0095	134084.61	136615.7228	198428.0452	181247.5095	160895.2648	229729.53	155197.7595	186735.6888	229847.0148	136991.2163	127298.1005	217255.5055	212997.847	169662.5888	334985.2956	164966.5258	163404.1407	195356.7257	245413.3465	155057.8465	232137.108	249990.847	162358.672	167622.2648	265145.5237	228453.8388	205342.005	186240.6395	237680.6289	235943.2625	197564.059	171271.0095	169939.354	218022.8895	216620.2758	196460.3923	192027.4984	155797.005	130018.464	187632.3645	166540.157	289546.1113	203024.3465	238471.728	161609.7747	207459.8073	269589.9215	204407.84	154314.9862	131336.226	94220.845	186144.8876	260355.845	256013.8598	201808.2528	202595.6275	189682.1897	158856.9425	155312.516	164839.0725	219846.5952	185365.3608	242934.9708	200634.6876	218074.7648	189317.6145	214567.0118	177870.2737	241619.2648	223713.8493	223363.5627	264327.84	194403.6092	333175.0323	245095.728	160927.8225	200666.847	144785.472	180118.2708	166847.6145	202969.1827	159275.3237	248499.5298	221338.8478	176688.5867	213689.0419	177723.7833	222407.505	251056.1092	230373.347	236984.6178	206731.8645	200582.3657	153178.9931	238980.1479	172362.7765	215149.2933	222526.347	162822.333	180370.7789	185853.9972	NA	452421.9622	158278.1125	346499.8493	220497.97	212332.8225	160964.2125	212216.2555	258423.1867	280740.74	279738.9315	163167.3265	167218.6289	229292.2956	184834.762	222237.2718	296301.3708	317386.5878	248857.7856	189485.0148	202021.743	244408.7365	128274.2262	210750.826	199877.5543	196772.5982	201870.35	245296.5433	244369.1145	163503.5055	233241.5722	239711.5725	183568.98	193425.0696	203588.2967	283146.3022	159810.3225	122727.4354	306597.7758	247077.8878	301991.1844
C596	4-Hydroxycinnamic acid p-hydroxyphenethylamine	283.1205	C17H17NO3	Phenolic acids	Phenolic acids	-	1	8962.6668	5541.480667	35067.328	79416.39833	85033.1736	17415.5324	11629.828	3866.772	23821.02956	11107.75833	NA	15870.777	5557.681333	129993.152	NA	6423.625	11133.936	15348.73833	6848.96	5967.165167	4269.6765	76409.07217	168475.712	19615.7116	30888.00733	62880.06029	5550.546	11518.76033	8129.536	204507.6817	NA	74545.1	9831.494333	11152.06667	11959.78117	18814.81175	37580.9485	59247.755	29415.125	5604.352	118939.4914	5151.218667	2479140.736	NA	25627.2755	4274.269667	46621.41267	20492.82	NA	41545.99378	4292.10125	14117.888	NA	NA	NA	11550.92756	3420.789	NA	NA	11122.38178	24294.00667	NA	19211.34	11940.39978	57976.85029	24769.48633	NA	4716.43	1284.243	34913.71117	8986.88	NA	6012.155333	NA	19248.896	3433.9845	137687.488	11552.384	19369.79133	16683.392	21347.502	13198.7856	24293.7055	24735.28483	21368.246	30779.5125	4233.8745	65540.739	3839.624333	NA	57192.09571	7238.918556	32824.56843	78953.11333	40083.50683	28098.435	5530.624	8566.95125	18801.12983	26316.8856	76193.382	22659.35967	23051.15583	12407.552	13692.40117	50790.96786	6846.784	NA	NA	11555.516	NA	7665.1825	176783.3285	8040.3456	8559.296	24300.95986	14941.6938	21023.44533	NA	15402.99917	8999.1555	9868.095	NA	NA	42273.57533	NA	6662.782417	8304.6921	17951.8464	16788.17433	6005.3835	3433.19725	NA	8986.88	7732.03775	13274.91	NA	243321.9705	2549.88	719836.1714	31545.5399	NA	NA	82777.68	7704.128	13669.33233	45872.582	8973.113333	NA	83386.496	27757.98933	31536.812	NA	81185.65429	87299.762	72025.75733	33676.92929	NA	6367.558333	9350.4257	NA	10861.1522	11556.506	80393.408	106903.616	3414.380222	8109.6996	15740.94844	NA	132556.126	15400.64	16102.99022	2150.04	NA	185824.4267	169925.3463	46969.79433	79880.495	3838.152	15373.416	8131.712	15829.312	NA	26436.58067	57917.4806	5137.836833	5979.22525	NA	57554.58267	8578.74875	87490.76757	8939.647889	3435.517333	3851.9496	15757.90867	4276.894333	7248.677333	5115.009	251821.68	18328.162	22347.73333	1711.2375	5124.034222	34488.02667	11943.26467	5123.37	10727.262	NA	8559.296	NA	9414.464	NA	NA	41788.86483	NA
C597	4-Methoxycinnamic acid	178.063	C10H10O3	Phenolic acids	Phenolic acids	830-09-1	3	27225.49936	22508.82225	41328.30458	40670.07083	55373.95527	13467.26255	21382.49091	16390.43075	48480.84267	39440.21091	8103.359273	54403.45164	18278.07417	27473.64491	6692.989091	55724.55955	19772.85382	27899.57673	17887.59709	18918.76875	8416.30725	81035.32218	95056.814	36600.63308	25706.828	20433.05918	32946.10909	17209.49833	19849.2525	148789.8592	9231.828364	34451.59927	26453.73673	15546.43342	33322.26545	17514.18618	39157.44509	46501.27364	19449.97091	12542.69318	75960.44018	15093.18571	33511.64073	34202.575	27113.52364	27401.18491	15477.55475	18676.73429	6716.385	32007.01527	33295.40743	22730.75357	17736.984	17133.098	11793.82571	38275.77086	7551.303429	18341.81675	10562.9025	16737.732	10098.225	14907.62829	12500.91675	24298.893	16545.14888	20146.89191	18625.77538	10045.63875	6055.1755	38736.70545	10776.22	11619	29447.87838	3483.070857	30850.695	18661.98857	29065.3055	31882.896	13237.5085	37525.08888	28914.9245	29203.92171	24244.06886	22640.04514	23437.25271	35701.23657	42625.68643	15852.05271	29425.64714	41511.23273	186314.7055	15128.82925	35441.68629	37619.74175	34334.42657	29958.63675	28880.637	27686.812	55260.81429	72470.796	61238.45486	47528.80571	141705.4556	64132.79925	136278.4306	98766.45682	46263.93545	42380.93136	38752.97113	89879.922	42452.92073	57843.32712	76382.61	107078.4529	25846.35943	57996.12929	77337.16714	69952.70743	55646.88429	51889.90775	51227.178	92916.4725	65035.017	40269.00071	52433.65786	60008.2305	23687.2645	34028.14275	36975.55675	26199.3265	42342.36429	31161.99355	42133.2655	22864.34475	79360.03717	30984.74925	57326.20282	127817.5328	42969.76975	339329.1225	32259.19217	31862.85682	58467.2595	33628.7835	38314.90473	27682.09275	44233.93173	60154.758	25981.30275	109854.6984	30825.49773	49919.31418	19587.267	46462.40109	44870.058	56743.97717	40579.51792	24784.33967	24104.21236	23745.514	15254.77936	40480.40945	86797.5615	25992.82092	82204.9015	51478.8835	51479.77117	26076.75525	34301.50275	65273.89527	36425.78618	33197.773	13707.00792	22059.31564	48938.604	70682.80727	55460.054	139474.456	35464.1125	92857.61075	85556.64217	41189.56364	29573.1565	75485.50255	39268.67167	62542.872	25604.69925	31361.16083	60808.77617	26254.751	34857.5175	17346.66727	41134.21164	72441.5055	46889.96375	48303.62	37734.15625	94913.6	174056.0617	82168.11525	50061.36525	45463.03636	42236.28592	66830.55464	77115.954	83676.049	116882.4325	63599.16927	76902.22718	54937.33117	109019.4375	57491.16818	19024.54036	76227.8765	18592.56436
C598	4-Nitrophenol	139.0269	C6H5NO3	Phenolic acids	Phenolic acids	100-02-7	3	17615578.67	23475328.57	21780421.05	22118364.23	25037984.91	20018573.14	18699384.26	21263752.57	23874040.94	21062594.79	21908112.92	20266658.3	20880627.84	20143018.72	18449450.13	19844706.26	21586693.17	21342771.4	22129600.18	20377201.97	21405463.79	20504142.79	22562739.73	21002669.2	24769496.21	22274283.11	23485847.15	19547428.68	21430715.65	21023183.9	20757206.6	18947444.98	19584474.57	22110592.24	19000903.16	20598086.7	22147286.11	20197245.7	19462645.48	18923639.44	19829148.48	20273179.35	16936054.62	19666892.63	19413463.76	19287593.57	17449087.89	20226692.12	22437601.39	19664577.05	16689217.16	15919066.63	20355818.5	20552782.51	17918801.12	19210580.55	21315691.28	15276758.84	19833570.28	17855859.8	17941643.55	17123804.22	18246434.95	20283445.58	20652024.03	18141712.64	16825115.45	21123890.03	21051738.18	21162990.54	20049063.63	19781037.88	14436575.74	14031268.59	16030610.56	17407913.56	19651084.17	20073911.44	16930975.83	16592984	16681995.85	16753094.68	15524938.59	18304589.48	14213731.5	15586987.52	17946221.94	13901730.69	16147505.11	15662144.89	17697389.99	14583987.46	16574648.93	15876636.35	19053937.25	16051435.66	14854032.21	17488158.62	13316309.56	13387484.38	13514692.74	15436971.61	16760994.18	17023055.85	16466543.73	12778091.72	15490700.3	15807087.45	16601278.91	14974499.16	14313393.94	15351862	13311080.06	13217708.19	16524919.29	13993599.15	13665370.21	17397059.12	14778656.97	18241279.1	14441856.04	14184060.35	12951909.18	14221741.51	12915391.06	11053532.23	16199440.32	13795467.84	17590087.69	15855810.8	17003235.65	15143735.41	14789330.96	17845939.38	17726359.34	19450240.36	22166142.02	16373539.94	18750781.89	20394415.52	16557394.16	17072097.34	18228630.25	14738226.72	15402176.89	17931225.57	15961021.44	18584567.89	17407421.77	20808709.51	20796787.83	21062629.77	15454422.61	21287032.97	15499993.6	20118359.83	19308766.18	15455377.03	17623217.15	13010101.58	16529913.47	15275085.25	18652506.49	19549282.43	18166734.52	19173910.89	15927239.08	20427613.55	15362745.54	18461873.65	18529294.1	18115325.27	16631630.31	19554151.56	17576775.22	15776069.33	19374364.35	13697737.76	18373679.83	16249532.8	22866744.1	17830359.33	18804545.8	14438455.82	19505406.74	16642109.79	14371241.81	17343694.75	16765512.6	20080729.35	16211956.82	21485708.7	17657486.59	17530822.49	15662017.13	18992150.87	17624416.39	16419226.67	16116842.76	17798212.33	20124151.82	19625077.98	17444098.19	18396102.05	18182447.11	19997142.73	16122995.04	14824327.42	15261341.07	17997623.65	17650082.97	13363708.81	17363003.55	13771104.75	16186566.8
C599	4-O-Glucosyl-4-hydroxybenzoic acid	300.084	C13H16O8	Phenolic acids	Phenolic acids	-	1	692087.1235	2860271.962	6336054.618	2711302.893	217602.0246	477673.3628	2415889.82	1458746.105	6061531.596	1461288.531	2557549.943	6080701.339	1399041.178	3172162.682	428090.9	828227.9928	4805381.364	1199550.464	1354149.679	1915869.46	405048.7882	20053331.74	6439566.595	105692.6905	423420.8153	2470912.968	3171812.975	717064.8982	2267515.597	6819046.596	334201.0299	610986.0191	8128388.765	1598583.107	791190.6396	699274.5922	6165690.615	578204.1097	1841243.118	876774.4683	1115915.611	465328.2964	2087967.136	3016251.665	2395619.437	259942.0125	459188.1654	763068.0265	575133.2026	1182010.198	722677.1007	646531.968	1786312.298	12314606.42	1649731.96	1749158.151	1566491.536	1047765.576	882510.3	3243361.05	12620698.62	726540.1483	496073.4514	3487518.595	7198842.827	986833.3145	5359479.501	677942.6291	681932.1803	11305366.84	1192662.636	2253849.675	3042767.614	1478104.683	13335201.1	671966.0112	3932536.281	812300.672	947684.5999	4980049.663	2713595.362	1919408.25	1309648.109	1290536.34	939430.4844	2474327.348	1237385.92	1210152.703	1471491.178	493550.0458	1898127.19	586720.3056	780634.26	26881684.6	2262182.741	1734864.797	816654.2059	1327633.219	4086838.878	531390.9857	2111582.021	1999641.897	1898121.568	834939.02	3840798.732	1721525.4	3200699.219	500149.6059	724504.356	3150312.259	1052300.664	1005370.572	477214.92	1764442.356	935260.5444	1790139.496	8696065.54	27468418.93	399903.4992	2210705.456	10877260.76	6071223.804	2976247.223	573079.9371	2222495.273	808496.5344	1081248.625	4292220.269	4450180.997	983665.8888	759617.9259	2152523.758	1078907.723	671559.1827	3956950.066	3773494.234	716061.7051	1663659.997	3169492.114	8928870.709	1112912.086	1122701.194	576137.243	449420.5664	7048932.282	917313.8425	1892666.556	2297358.352	1453573.464	2429003.005	1855454.247	1439755.914	304813.6728	242992.6964	3801638.127	1788070.05	716082.2772	1123928.057	567169.3792	664525.512	997410.2295	637810.7629	2044790.777	1327709.744	1009558.309	332355.9804	1075202.955	1092457.813	2842183.172	4187812.86	535234.1309	1029309.841	285983.9004	505316.0271	7045647.522	2672570.198	459168.1284	26099808.43	864419.058	1437383.979	2591513.899	2571545.185	526173.328	4722397.942	400844.1604	898080.37	1661750.226	4782686.834	3270485.347	6432468.807	1938753.158	6397840.969	473322.9976	189690.375	1029736.097	273037.1	954808.4931	327078.9417	1869703.373	2593853.396	815096.9087	1497361.448	4054173.964	2836935.785	906507.723	1514531.703	271414.653	2107885.745	4026452.657	3832369.151	1138017.016	1092451.223	478720.8179	2053284.628	762346.3718
C600	4-O-Glucosyl-sinapate	386.1208	C17H22O10	Phenolic acids	Phenolic acids	-	2	87898.4748	102670.1287	81056.62875	135090.3787	106904.0737	102069.7537	91863.37875	163908.3787	45861.837	61857.505	35428.12875	91863.37875	73442.26017	64926.9215	51221.337	60643.87875	70264.505	52240.32375	99668.25375	35883.588	51816.837	35435.505	123191.588	78625.33817	44075.337	115302.005	75117.71125	45311.46125	177116.6287	80473.005	132116.005	151332.005	60043.50375	14925.02	38438.005	38430.00375	114344.337	46457.337	83848.611	52419.6715	90537.00483	23510.8665	37825.80267	50437.50375	80005.164	54051.005	NA	114101.005	39350.21125	70287.1715	118905.005	57654.005	130887.7537	105834.8785	144096.0037	33584.99625	49008.63	78054.75375	108673.8787	208379.505	65446.87875	177609.588	56946.5575	77426.30133	111635.8013	27022.87875	87183.7652	93664.50375	97368.3785	63659.005	70249.87875	196423.66	255165.3787	102370.8612	264171.0037	81056.62875	64246.12875	139922.505	66661.505	132116.005	49039.588	160353.0737	63058.505	53221.6285	48988.3785	73867.505	42353.63	100319.9652	60153.837	73251.75375	71945.995	58804.8	29902.1748	96557.96	143495.6287	85259.25375	38430.00375	25827.505	88861.50375	149499.3787	49847.505	75146.63625	68945.1285	71424.63467	115302.005	141724.005	61804.8	61257.005	73225.13467	46463.83817	47694.496	52412.337	58842.75375	61083.3785	128486.2537	53450.505	48646.505	108096.005	71465.505	105093.505	99088.505	121838.6347	36028.50375	26831.58625	137520.505	102091.005	96686.505	57041.62875	65688.1652	135478.575	102633.3013	48636.37875	69049.12875	53450.505	86478.005	40508.00483	89461.87875	52419.6715	NA	95521.5555	156736.505	62578.575	68448.75375	41103.58817	112299.505	88279.505	45634.50375	35236.0652	69664.005	45644.005	57472.7588	59727.1664	139293.0037	42343.2576	59455.505	49847.505	88912.8576	60756.075	53439.37875	36825.98033	168798.63	162707.6287	111067.7652	47376.37125	69840.428	46356.01017	68973.63	47052.837	18834.69875	37063.575	82257.37875	73785.5475	57233.96125	88093.575	154217.2975	135719.005	95543.1652	134518.005	101490.505	40040.865	134482.5575	75041.337	89480.505	57176.337	60468.54625	115878.3788	165973.164	36333.837	29430.505	88701.075	76827.837	137908.575	34615.02	34460.127	NA	63217.224	57099.32375	100289.505	65964.74625	71676.32375	42632.62875	126761.9748	103888.575	66647.62875	54188.428	73850.337	94754.328	56441.25375	133289.2537	142294.8787	109297.005	69850.09583	52249.505	88861.50375	70264.505
C601	4-O-¦Â-D-glucopyranosylferulic acid	356.1107	C16H20O9	Phenolic acids	Phenolic acids	-	1	75378.618	69922.6165	202037.495	74343.995	138117.0575	NA	146883.495	37674.8748	241654.8712	133661.6867	62188.7748	161904.7462	53917.8075	280441.6867	129687.0037	NA	72363.618	52100.5575	133094.995	207478.4748	137890.995	134518.005	91882.505	157707.3712	93684.005	73867.505	51918.35333	171713.2537	291423.7463	1853973.342	125301.495	75597.3785	96066.00375	73144.995	183593.176	245201.495	397557.3713	666561.005	281074.0575	271499.176	164508.7537	76552.8665	36479.0748	156914.828	438880.1287	105237.5748	49175.24625	46588.63	86104.7748	248850.3713	135522.42	123152.8293	125327.6213	62966.62125	143637.828	314166.618	65787.176	402539.328	126581.1165	113696.6285	66389.828	48901.82933	188493.66	250370.1285	519281.2462	104471.2537	309072.837	84535.495	89247.618	115902.505	107960.9975	157383.66	154819.6285	112487.1285	226664.2462	116480.328	NA	226983.496	95945.99625	58664.3785	109749.618	69667.3075	162210.618	66993.328	227389.6285	177482.8293	79688.82933	59097.618	176258.995	74959.12125	2238485.302	30494.9736	95945.99625	28415.127	474367.8665	78963.8665	43169.995	77957.24625	105013.828	64765.49625	143677.496	33237.3755	91767.7475	151483.328	35611.328	581642.2462	114254.127	92348.24625	154500.828	NA	76066.82933	684902.127	153509.9962	77155.6165	97744.87125	89968.4975	63474.918	709313.1627	70554.618	121206.618	108061.1627	161338.7475	95840.8665	17532.918	792619.1627	112735.4962	82614.618	81554.99625	131457.618	38433.66	68962.87125	167900.9962	169376.3665	109872.1627	90549.37125	29550.618	288786.3787	286027.1212	329534.0575	2433989.836	50712.82933	189103.66	118191.618	88750.49625	144281.1627	82754.24625	199039.995	157937.505	254846.6212	99609.82933	127819.3075	159739.005	292375.02	92685.8075	1155483.371	85152.74625	1017456.056	328322.5575	270436.8712	238106.7475	151742.7475	84494.828	53372.62125	88150.87125	299513.66	52100.5575	82154.62125	270231.005	230796.8075	84205.3075	98323.995	80808.03	93064.12875	82388.0575	102636.9023	163703.6212	203835.995	221820.995	62870.418	104940.3713	82319.9085	78556.87125	187088.9962	330330.495	125430.03	83935.995	92328.995	111536.2462	72575.7475	234431.3075	642070.495	68933.66	63552.995	52162.495	188061.6165	62024.89625	26556.8408	88005.1165	1040954.996	96320.3075	53372.62125	142914.618	82353.66	78171.68667	144174.5575	159657.6285	38981.62125	49538.6045	44378.24625	664836.8665	170548.005	252655.9338	238656.7462	253647.3712	18093.618
C602	4-tert-Octylphenol	206.1671	C14H22O	Phenolic acids	Phenolic acids	140-66-9	1	26254.928	26227.36636	26081.79467	22806.83346	25218.886	25742.7175	23902.88025	26917.08042	24672.21455	24469.05183	22636.45791	25696.15417	23892.565	24509.397	26391.70017	21969.81818	24633.6025	24947.03782	26221.70136	25072.08709	24807.9105	23291.3725	22251.22782	26004.90258	25126.99175	22644.71864	26424.496	23788.35936	22604.81818	24775.707	24253.1025	22966.00815	22977.62133	21070.61733	22848.36925	22281.72009	23081.98582	23264.53533	24867.692	24541.679	25112.931	22771.06364	24417.62345	26695.18133	24716.1375	22738.83733	25431.7945	22194.03209	23314.09745	24627.341	22162.51125	21780.11143	19879.19057	22105.34764	23785.19273	23856.48708	24108.71564	26598.20392	24165.33127	23009.28191	23844.50509	21725.85436	25480.12892	24452.99455	22150.21582	23023.95142	20864.76173	20334.64791	23154.15842	22542.051	23522.306	20808.04688	20194.992	19249.0005	22591.61745	23725.36692	23344.93709	21266.712	24232.99582	24200.32491	24979.67733	20718.385	23656.99255	21944.28	21948.36	18965.00025	22210.39071	22123.49818	23256.25264	22321.22525	25570.26683	19476.88082	22730.57186	22650.50455	20375.94983	21620.2805	25660.28508	20963.327	22607.88055	20423.33236	22149.19164	21635.47273	22546.27345	24630.403	20275.0675	24081.638	22702.64012	22954.533	23137.29491	22061.0995	22858.66727	23225.69618	22152.20891	22873.08436	23390.91491	23565.6275	22608.17083	22611.16455	23681.89133	24675.06225	19866.2035	21019.63745	22593.67855	25654.248	21532.48942	23209.29455	21747.62909	24320.71125	22475.77527	21431.82508	21033.026	21598.96583	23433.62155	20261.23629	21005.74292	22520.47255	22366.0115	21815.25882	23267.14133	21505.34782	20134.61745	24980.137	23352.2355	22095.626	21921.52567	21772.25867	20928.32727	23836.54525	21891.12409	18830.185	23134.57067	22390.41636	17235.67427	23329.212	23268.13067	22556.75067	20402.69573	23375.898	18694.44267	22335.998	24658.158	19538.27018	22337.14	21053.65783	25950.42033	20983.61273	20203.96255	23730.756	23548.72508	21712.726	21746.40167	23155.66167	24790.36	21544.49446	22141.23358	23398.72267	22980.286	22544.79575	22293.93833	23356.82375	20633.65309	19390.1935	23388.78109	20712.62518	25008.18036	23599.53833	22784.68754	22548.76991	20619.737	22668.25742	25903.749	22017.65964	23534.604	21804.761	21974.82382	20825.39225	22601.92291	20931.23618	22590.55273	21728.14182	22389.36055	23553.824	23686.02808	23945.26458	23298.96727	21950.98773	22682.43333	22273.552	23787.4455	25251.46527	22423.54333	20315.22617	22014.84717	20679.43017	24082.632
C603	5-Acetylsalicylic acid	180.0423	C9H8O4	Phenolic acids	Phenolic acids	13110-96-8	2	735507.555	922626.462	806649.462	804592.555	694134.462	603256.962	239526.651	788883.46	442273.962	722870.055	815502.6075	776345.1075	543537.462	348598.46	311822.5565	839337.6075	523197.555	1378110.207	402646.3575	733873.4933	361782.462	520885.99	1115142.608	583857.555	686660.99	1085145.055	757395.106	444004.962	367335.055	748987.555	482757.555	350748.49	693736.6135	933495.055	788585.055	886315.055	691220.1075	661728.46	681385.3035	297735.462	668107.555	545102.555	302198.8575	477703.54	598357.5565	732931.3575	452870.1075	824015.1075	476893.962	750918.54	1527091.76	826078.46	696926.208	1217417.555	349642.555	634414.962	332425.99	879314.0535	760171.3575	492867.555	771964.0565	990860.1075	701807.555	650360.1075	1078416.462	1112435.057	499542.106	959897.3065	779317.555	1242237.605	786331.464	516706.962	399608.49	100398.492	444227.106	940299.876	854360.328	827384.3733	711963.49	951702.6075	539208.49	444978.49	560469.492	876754.962	408333.49	1671304.32	782187.488	1036771.149	629036.328	894162.8065	979456.8733	850087.555	1067452.555	885719.1495	1131316.358	968592.5535	1213036.358	954649.962	769535.1075	743799.492	739720.055	495583.49	447153.3995	623163.462	585665.1075	684380.16	620085.055	753200.055	545852.1495	803187.462	450213.49	328901.139	706020.055	442088.1405	871685.1075	660486.8267	988306.3575	826499.8995	829867.555	842742.6075	525549.492	500818.49	410878.46	731793.46	540890.055	379130.055	254528.8575	657783.462	408605.1075	380413.49	423927.6075	644401.3575	741553.4933	647806.3575	576619.5413	1287946.358	453270.055	765596.328	440542.962	596731.3575	692060.16	433892.555	452016.208	305693.609	548155.2067	327686.8267	481812.6075	492867.555	568026.208	1202214.208	674005.055	722921.328	234289.5565	403970.99	533895.609	761625.055	977015.0535	540940.962	525226.3575	578003.8575	426481.3575	435234.1405	1065174.828	869328.46	561042.7067	756570.055	841557.828	455797.555	237150.462	267860.99	618863.8575	628916.8733	654378.49	1157126.827	537520.055	671477.555	572905.055	720162.6075	519827.555	502135.055	787642.609	914041.3995	549315.055	796640.058	1100825.804	534992.555	642832.555	782303.8575	1129613.858	878934.3733	702789.462	1263793.493	316593.46	716690.8747	708547.555	1000308.828	1070340.609	639462.555	1156669.541	584473.3995	693354.3733	388612.962	1091404.294	406788.462	932383.5413	1097782.555	1035125.107	948526.8733	768283.6105	641147.555	986103.46	524375.1075	515615.055	822312.6075	455662.3035
C604	5-Glucosyloxy-2-Hydroxybenzoic acid methyl ester	330.0951	C14H18O9	Phenolic acids	Phenolic acids	-	3	15169.778	38018.65875	91603.8792	8374.392	26470.193	NA	NA	17390.70875	60717.2852	16382.778	8327.756	7891.778	11636.49625	NA	25867.4168	15776.278	19434.4852	23210.1272	NA	60343.53375	21841.278	82653.6955	46214.9012	NA	15009.7012	NA	46458.6955	NA	60003.6	8008.4445	NA	13883.1955	9578.394	69394.15875	39423.2768	8999.8485	34789.0985	15692.9455	15827.085	4005.6805	92786.4768	29119.278	27938.4864	30778.15875	NA	12201.54533	25351.94783	NA	NA	20516.5325	12003.6	27304.2792	18909.712	24267.278	19203.6	73794.712	NA	NA	8509.86	7849.90875	19203.6	NA	8451.5325	NA	43668.0768	49803.6	NA	13579.2028	30000.24625	13954.4768	30933.6768	NA	38010.7825	NA	30771.7825	NA	8400.0985	NA	NA	42845.65875	10924.278	25203.6	NA	61598.04533	NA	53695.2825	30771.7825	10766.392	42233.5325	NA	16242.906	10864.5325	17502.6955	177003.6	NA	NA	NA	NA	13203.6	11700.655	113403.6	10864.5325	8507.525333	15690.5325	18003.6	NA	5465.778	NA	9152.378667	10412.24625	22257.906	NA	18103.5325	19195.5985	9660.03375	11998.5985	57918.0325	24136.0325	8999.8485	86270.7825	NA	NA	11467.7825	8327.756	NA	11403.6	NA	6542.421333	1723.941	5480.151	7800.3485	NA	57615.2768	19917.40875	28674.88	NA	NA	NA	17044.085	NA	15597.0985	NA	NA	NA	NA	66172.218	NA	NA	NA	21862.8852	80210.8725	NA	NA	NA	NA	NA	32635.25867	13350.278	30938.778	7323.66	NA	13280.28375	99407.712	40021.78125	NA	55379.585	27237.22117	NA	61598.04533	62070.651	NA	15309.24625	6003.6	9603.6	47218.73867	4866.4888	NA	24291.2852	16196.8485	17145.62125	65367.71833	NA	18710.65875	NA	13652.296	9239.9445	11232.546	72632.693	75213.278	10998.1272	22469.9852	4803.6	NA	77626.4768	NA	NA	22335.535	NA	40398.12	63347.2825	94107.7852	26091.0792	21879.72	63093.6792	24278.4945	83289.12375	24136.0325	49006.71883	50086.15875	13803.6	NA	19443.16933	NA	18706.7825	NA
C605	5'-Glucosyloxyjasmanic acid	388.1738	C18H28O9	Phenolic acids	Phenolic acids	-	1	111814.4748	278030.6748	138098.9736	38864.1736	82083.242	48338.35333	72659.337	201499.4748	484904.0748	78332.0748	60208.80333	87718.35333	66959.94433	160511.6867	132120.9736	61465.02	135451.6867	51873.60983	208639.3736	82359.8545	128309.6045	108227.0748	107629.1748	188943.5748	99651.68667	58769.24625	99055.02	68962.87125	45951.68667	35845.86	135730.4748	30788.15375	267911.6867	137241.6867	179033.3545	81056.62875	125922.6045	147688.4748	103753.111	59368.87125	25118.9748	66303.1115	639162.2748	202875.02	40066.4748	92681.6748	66256.85567	285851.176	230796.5748	217679.176	93547.49625	136120.8713	131923.4963	61167.74625	123567.3665	46776.74625	111235.176	107629.1748	60555.495	52772.99625	99856.4748	129751.4748	59287.4588	196085.5736	63255.02	158526.8665	194292.1736	57395.9736	41860.1748	90549.37125	239765.0748	144554.4576	476166.328	200319.9328	105835.4748	135109.9736	222986.5736	151873.7748	80723.6748	56082.618	35813.3545	309664.8576	171534.4975	121131.6867	74744.6748	55013.9748	153069.5748	40180.87125	159646.4748	329707.8665	99424.6515	89926.328	35523.15375	2327890.168	192530.9748	154863.2748	90872.7736	139317.8748	97721.59687	118731.7463	142283.5736	78038.5025	68777.176	68167.7748	132763.176	205086.8748	91748.62125	92083.7748	54406.9736	42968.35333	104059.176	258854.5736	87402.3665	86933.495	153641.7736	121999.176	74744.6748	344397.5748	107338.8712	157550.3545	45577.49625	92367.4975	359705.995	234459.3712	31786.12125	170655.02	35881.1748	72801.68667	370107.2748	383622.4443	333686.418	162635.9748	564330.3736	125587.176	303497.3832	239305.1045	292380.2748	206880.5748	54285.94317	271556.337	161305.1212	333168.5575	58591.5736	207051.6867	425114.0748	150080.0748	122921.6867	106433.3748	276573.696	66844.3545	64538.35983	151561.6867	98046.3736	240638.6932	135470.6045	452019.5748	146030.0408	35613.742	73172.64412	99275.176	142034.8545	104318.995	119331.3712	114230.4651	30166.77767	96926.0575	137857.6045	38350.96333	161745.242	106223.242	173041.6867	299201.224	344397.5748	120987.2588	80430.73567	61590.8748	72938.7736	47831.1736	54901.68667	37650.865	66253.5225	152471.6748	56824.65263	135707.7736	92421.2345	70547.5736	83699.1736	52622.3748	121978.7748	210147.6462	182933.9736	77858.742	107940.618	113589.1736	35808.35333	104032.1156	141625.5511	120782.9748	142881.3736	78462.242	327656.3748	50732.1045	150882.242	223758.3533	34214.36362	368203.1045	126164.0748	74159.176	76538.3748	142283.5736	89949.74625	62322.26	90714.3545	130947.2748	355757.6748
C606	5-O-Feruloylquinic acid	368.1107	C17H20O9	Phenolic acids	Phenolic acids	-	1	865845.9732	907614.9816	1749185.277	939735.1438	649567.0188	621328.2228	335807.1412	4042026.685	3681707.628	865506.924	807460.83	2581718.414	857033.6976	1710478.574	473484.1972	4082145.177	2608496.369	887637.3984	504771.3937	1839284.021	452950.77	4266590.651	1275826.829	2138737.05	227882.4228	2023492.9	797072.9816	447279.0988	920996.3816	1361430.769	358447.1627	774382.7816	1031458.269	2218768.466	1374401.018	1223557.644	1542875.954	2378162.947	1013957.028	978962.6438	7130947.869	332183.4964	4107040.965	3420420.226	909942.1816	1190163.956	726029.0212	70668.096	413155.9828	3489993.617	1984798.817	1438037.844	2959962.841	1830522.696	776154.096	963622.2225	2906300.47	2489351.013	1544768.55	1619464.944	553983.264	523614.483	673668.4725	2284714.909	968544.8976	264791.3938	928222.983	3987743.476	434832.474	9138618.609	1032955.596	2801679.296	691960.644	988042.7025	500043.4725	1931268.396	604218.4725	6678961.098	3290802.28	4419438.371	3660487.626	4707664.585	8512538.587	759323.4725	3021298.947	2064399.164	2454240.427	1723033.783	1408825.899	2831887.446	1397648.84	2984504.841	2363667.087	1620303.477	1849991.469	1682067.249	1462752.472	992825.9475	3054850.995	7488719.55	1852469.032	4702230.87	3559987.813	3367468.82	1874132.816	5395852.231	2525152.704	1772831.466	2132464.587	1156574	1372133.676	6571490.331	3214326.115	3533195.682	1275833.79	5958425.71	1713705.672	2649759.892	1966848.307	1258931.184	2446335.353	4782216.648	1209620.661	971004.996	1904470.633	969732.6437	975446.513	2297700.077	3098188.536	1114283.264	2411913.707	2405716.56	1204999.17	1115682.019	525786.6427	1796840.316	1815720.985	1484597.84	1787225.716	2122099.184	1291350.83	1118808.77	2620569.842	1673751.214	2696424.03	641164.68	4796653.488	1262267.698	818946.1462	11706897.32	3426685.289	2331451.794	626999.5825	1567975.574	3771351.464	4002643.634	8517985.287	1401369.298	778787.0187	1785581.876	610406.83	397376.3816	10019737.66	6013885.795	6919267.924	2509481.01	3969609.791	2400005.165	1423701.973	3267807.591	1781080.013	3187700.939	496367.6828	1300858.894	404816.8162	105305.85	3644185.104	2528844.935	1233167.399	4623146.722	10632069.59	2874055.86	1459950.932	2022152.392	1718657.897	3476194.524	2206717.365	2506363.668	2525824.113	2700912.341	964908.684	1538287.77	2566677.091	1731899.741	2828986.881	2638816.105	573175.4087	1331721.77	856114.5744	1136695.264	1569539.17	1911430.316	1148524.7	2662650.786	761480.2775	1263535.774	421701.3937	1469168.471	395279.83	2430810.988	3180358.222	662574.9744	628879.68	587771.7972	379084.68
C607	5-O-p-Coumaroylquinic acid*	338.1002	C16H18O8	Phenolic acids	Phenolic acids	1899-30-5	1	1271142.575	1079633.974	3302188.616	1855493.486	1129729.808	1239844.374	1556648.511	1088924.996	5129200.518	2121738.063	524875.5736	4475928.265	1530130.558	1865676.418	477207.995	4358599.255	1771093.174	1398920.242	1755147.974	1524054.275	730236.618	7549078.225	3026303.137	2398597.822	890131.3736	722149.5736	2831677.12	1328318.774	2677343.614	3543076.477	528291.8155	2521438.768	2584276.002	1747376.574	2013399.024	966399.995	2946130.317	2178641.45	1034874.672	1346763.746	8436639.251	834316.182	2539226.613	2389681.588	799399.4748	1922655.589	1164118.475	1085195.675	490499.2462	1554233.996	2474831.519	1770647.223	2768620.014	748492.116	1808183.698	2431184.903	1656324.777	1165676.996	881563.1147	1254856.949	640882.116	1706226.941	557056.3387	1384034.385	1318825.116	708837.448	1459493.246	1950828.154	373052.7827	3317470.884	827500.7748	1104430.505	2442330.627	561690.3187	1711908.952	1205236.783	1967438.413	4074452.974	3754616.886	7101763.022	4039693.066	4234487.923	2073236.1	2413620.56	2291293.099	2725157.488	3848745.781	912635.2462	2316363.687	3143532.016	2371017.761	2400522.696	3276773.522	3386426.824	2138251.833	2504054.808	1182817.062	727567.9493	2103247.116	2368649.468	2220003.63	2796866.499	4238335.764	4795787.558	5447135.699	1630696.831	1584251.224	1335970.496	1951351.783	4473445.347	1441086.712	2438761.843	2169014.66	5673282.048	554196.2827	2111463.848	1905664.294	3504901.32	1259639.616	1441785.085	3188363.932	4290525.136	4697143.616	1583429.736	2048661.796	5164716.841	1156214.449	650640.618	1615197.404	1244147.005	2859753.402	979255.7827	1940867.515	973999.9975	3508450.794	1171891.175	2573682.065	7671324.398	3814156.419	3038221.924	775394.616	1478005.814	2719928.981	2957720.713	1282357.283	1394749.949	1644378.025	2173003.823	686915.2827	2963088.911	1450073.552	1439509.574	1533961.974	2077492.315	2881774.278	1645138.591	2572696.526	855239.172	594938.7113	1034374.175	910010.9748	1349480.495	4012644.417	1060561.116	6056602.886	1517558.241	1698379.195	1438175.854	2015367.569	3427824.478	1197998.374	1633113.342	541260.6045	831026.742	1394281.812	2038846.175	1412608.574	5077487.232	1343263.774	2749799.498	5218967.21	1193415.575	500449.4748	2392988.618	1861817.958	5050789.898	1408830.995	1251411.875	1372187.675	1066369.396	1529330.495	480242.5053	1387575.949	2132355.555	885065.96	1434869.896	800719.0408	3148415.959	1306089.153	2700788.028	1829930.778	2246239.183	1112257.742	3691337.286	2174883.129	1707811.353	3428063.617	1664560.775	1596776.406	3235094.974	2702662.18	1977408.086	649999.4962	2079739.026	766326.7462
C608	6-O-Caffeoyl-D-glucose*	342.0956	C15H18O9	Phenolic acids	Phenolic acids	-	1	331010.979	102182.3945	141258.7237	460674.8903	140414.6244	169831.9311	343390.6275	246689.8857	75486.37556	231695.88	114468.1275	NA	86202.8565	192587.26	102678.1275	186735.71	209770.6275	280776.86	166926.353	90834.31667	348439.3705	118418.212	461096.4617	NA	105027.3705	123292.5689	210785.2289	136664.7223	445854.73	270033.8985	116790.5633	314759.2311	NA	75991.43222	175695.3705	154276.5556	87449.3775	386016.1695	137720.2778	122632.1111	144409.353	128251.9055	95028.56444	66647.37222	791271.902	89416.9274	153769.92	110097.54	85792.9587	132284.3588	211340.5313	166403.3076	203687.8896	258448.212	149270.4195	132864.6135	81858.7365	180408.1695	99609.7365	264566.0383	362671.1205	263717.3175	65531.564	220556.3076	287967.5698	91777.1205	406732.5304	162638.212	248326.3705	147256.8717	293087.9175	297148.8647	145144.9113	115745.1992	455133.915	87642.27083	173938.8787	216939.4896	278155.4076	94408.6695	310651.6205	396147.1887	324055.853	142772.9076	75732.4505	181769.3775	59093.9088	91704.902	345038.2896	84920.54	584959.353	88253.902	100610.6205	131144.902	735532.8787	299228.8787	NA	75204.415	358988.7918	127182.0633	72942.353	141875.9908	142469.3775	132623.902	327200.4195	501062.6205	135088.902	82337.902	395522.853	457438.212	116944.212	164996.4375	96879.6675	169114.3623	127303.415	168366.1852	416081.853	179926.3822	128255.853	93360.212	165911.0076	301447.6675	137088.8787	99239.3775	239074.1908	121892.353	314153.2912	139995.2342	289636.8908	88316.7142	80362.944	288460.6532	88251.8635	107189.1018	393677.6135	313276.6135	99898.89	96783.1275	97599.7825	308197.8705	146054.6675	83188.56889	213475.902	123278.7344	629808.867	91141.01667	142469.3775	304301.8896	243170.8635	154750.6275	258550.8553	391448.902	225133.7844	101519.07	227849.9043	88446.87867	228809.05	188205.564	62156.4055	142537.8978	83028.1275	117415.6275	142081.4285	479052.5523	243785.367	151164.0487	206966.3467	177486.902	84258.191	116294.8693	383673.1275	78037.33029	108861.0067	387725.4033	705846.8623	292031.8896	158189.3775	178360.8787	185527.353	140873.92	149609.367	133981.6205	143511.5633	332639.5453	147412.916	135175.2356	281557.4865	103235.4982	106951.733	130948.1158	433502.9311	302234.0243	NA	129086.2896	155906.3635	111123.353	106482.6822	79420.1555	150813.8997	361870.522	101762.4344	91720.40317	292785.6158	326935.5412	384003.1158	75027.86467	127003.198	111424.902	452524.8787	267751.1532	133689.9022	119465.1875	312075.902	482653.902	81844.902
C609	Anthranilate-1-O-Sophoroside	461.1533	C19H27NO12	Phenolic acids	Phenolic acids	-	3	776498.2755	339417.223	387146.277	522488.777	1060596.708	456391.277	601298.016	468795.0255	1222937.092	954955.277	755702.639	1033642.777	866159.588	393285.0255	680055.9413	548898.6338	1163425.903	552248.723	1885367.66	1377903.085	1277478.18	1062104.94	264179.792	360510.2588	815206.277	948030.777	881794.94	667084.9413	434224.608	833671.7587	1613732.27	1191378.938	489754.777	911434.94	542632.777	794432.777	2745573.063	640834.777	644082.723	980135.277	704064.2785	771770.777	544103.476	993212.9413	522387.5437	979977.44	1443043.923	930828.608	1074377.961	505119.94	889132.767	1104392.941	587094.0255	702567.476	873120.277	1156790.294	1631804.086	518082.277	1313275.071	333009.277	1158068.488	500932.608	639174.9375	977858.2755	591733.777	1326455.02	262442.44	805134.277	759734.9413	514934.777	649647.777	1790918.376	377074.277	539838.723	594251.777	1666178.49	929775.277	563528.1813	1494633.614	594723.78	1436880.986	742184.277	655682.2755	944883.277	550040.5075	1820780.308	721410.777	2138879.1	403513.277	1149789.94	800098.277	1088007.634	1374090.226	187107.5555	757620.7755	548344.94	916788.225	1792143.694	1973095.987	758254.723	894523.277	579386.476	1698465.434	1515620.711	847443.608	1169394.452	913408.277	1402304.75	919967.2755	1689413.112	1584575.655	724270.5255	1326318.587	465019.5255	1224210.515	734608.776	476535.277	770027.44	1139599.941	868634.307	1048261.026	982533.639	894523.277	623848.2747	2120072.906	471941.2755	855473.2747	1251822.441	992863.767	896626.223	1704074.126	720204.2747	744702.277	442411.5075	852637.5255	1077707.777	1946367.417	1721216.574	882975.223	2383772.974	966531.7755	682110.7755	923096.639	1065027.129	424747.5255	1017905.277	316642.277	813252.44	1634713.298	624331.0147	456210.0255	581032.277	886400.307	705043.777	1326050.563	1650359.626	421976.016	1901027.175	1036790.277	1659427.97	778386.0255	1027524.94	675549.94	518396.1813	806653.723	686897.223	740173.5555	825544.5147	425714.7785	1162619.766	519462.608	687417.777	613965.608	670449.756	506751.277	2514584.177	752405.016	1088421.365	752940.608	1255565.448	664754.518	1319741.714	1358923.878	563926.2937	650277.277	471196.0075	582920.777	1856808.452	1176585.424	614298.723	552392.016	1266848.606	1108541.016	1132586.307	1363058.697	1283080.893	913318.62	977617.277	1266793.764	696860.277	520393.4715	673985.7638	916585.226	949289.777	860845.711	1340850.108	1115587.31	744910.9413	937622.9413	890116.777	519135.0255	907113.277	558842.44	1273907.44	1763228.928
C610	Benzamide	121.0528	C7H7NO	Phenolic acids	Phenolic acids	55-21-0	3	38939.75556	39245.22222	50745.3807	144448.3878	96702.8307	31517.44444	43583.2735	49346.16556	51728.55556	146839.6667	57673	26167.44444	38650.77778	14012.66933	25573	52323	45779.83222	40190.60617	55619.89527	58087.91725	13991.8275	73812.57	148031.9307	57673	83083.2897	35080.83222	54796.07875	51019.6482	51264.32717	87011.33667	138517.4444	41201.22556	62428.55556	41032.39	32706.33333	32245.7318	78193.9296	146825.9433	78478.55556	NA	83836.39	98175.08222	62434.39	33494.71236	40434.11111	88951.2318	112559.5317	105218.7211	53308.14333	17142.43833	126557.16	77957.81	58267.44444	30145.02283	NA	95681.81111	57322.0215	42217.44444	78060.49222	30827.16725	98689.66667	24384.11111	82639.66667	65643.65889	41626.89	153364.2211	38052.77667	30925.89	45484.58889	49940.55444	36905.19933	41623	38961.42889	NA	93348.39	39839.66667	56901.14333	42176.19933	44876.68111	35080.83222	NA	93175.63222	59378.33778	115343.4956	89685.20333	38483.83	89429.01	55137.89333	45385.134	59456.33333	122455.9989	51129.33222	63869.82556	175065.8367	127136.5478	89793.14667	64217.89	52210.2493	64979.03444	39362.77067	59859.47862	49712.21613	53921.39222	31634.19933	28550.55778	138975.16	54419.60556	91564.89	37566.89222	78659.16	54814.26667	47556.87	52917.44444	44324.354	60294.9807	46070.81	54106.33333	120550.8367	81171.8328	59145.16	52973.37	79208.56963	29362.0452	52912.49889	84572.49333	43766.38111	NA	41405.16	62687.27	70288.78333	55515.5296	41195.7807	58068.2328	45623.9817	41366.605	55295.22222	46867.9482	115928.5556	NA	113547.8267	29357.044	55571.04333	NA	55597.16	38056.33333	25405.7	61834.11111	NA	26621.82667	77476.49333	34930.00333	NA	42087.68778	35995.1934	95816.82778	62610.7	NA	61182.08738	52912.49889	66860.3307	37265.82667	101721.87	60050.77778	40434.11111	128704.8971	27009.044	NA	47562.99889	41354.59	77297.31556	39716.54225	66269.0318	NA	64014.16725	41767.46125	73470.6328	56291.0328	142351.9624	44439.2817	113558.4944	78651.77	69133.41	57886.25556	97491.66556	64972.92222	100396.81	30731.605	73921.54778	78302.2482	115913.16	222332.27	52201.4471	41619.11	34326.7405	96302.88778	70149.77667	129513.8267	62693.16	84415.11	74037.53667	44780.6318	30536.2452	49346.16556	49816.99667	29877.19933	50426.5482	112375.7167	68967.44444	48801.9	103723.8856	52912.49889	52102.95	63023	146071.16	81500.81
C611	Benzoylmalic acid	238.0477	C11H10O6	Phenolic acids	Phenolic acids	22138-51-8	1	31800.8808	61997.4388	33918.28	21900.006	NA	25635	24923.738	22323.8388	44822.20275	NA	38598.45275	37537.506	36897.64629	NA	NA	49879.4808	46684.63912	11839.492	NA	NA	20649.006	NA	NA	88554.28	22568.7204	36286.506	34901.0772	NA	NA	NA	NA	14325.82775	24391.0025	11242.99467	NA	NA	32408.6772	NA	29467.1216	NA	27530.50787	15019.506	NA	16892.71886	NA	32384.45612	37518.57371	22618.78125	31782.968	25696.524	10684.40625	12608.37467	28936.9468	32919.21	67064.4204	18210.8324	11812.229	12942.588	31640.852	25969.5825	18963.792	22486.996	31895.932	35565.76629	12675.068	41823.42062	48089.466	NA	33843.9192	31885	33052.982	26328.9204	39979.241	23672.64933	36901.86171	37729.5444	NA	44121.22629	23062.1772	17510	34882.7185	36339.506	40826.28	36903.37875	49312.17062	14878.67417	49410.87875	47934.07775	NA	43154.71886	33164.3072	24309.75486	41278.86171	57263.95162	23723.32667	52209.729	34745.92457	47531.71886	29795.23733	47173.92013	27041.6444	37258.70875	41033.0592	50652.36057	31885	35816.5325	30579.822	51668.32775	84882.0444	20521.4805	56700.476	50658.14743	25485.229	52636.024	31056.21	32538.7072	48795.38288	NA	38794.7072	29202.4775	58639.12229	33190.88625	24873.7305	36667.33875	30649.62875	66301.00675	35961.6388	30645.50343	35341.7388	51470.7312	32676.966	21634.944	14423.508	52189.6444	NA	44412.88175	63156.64629	27623.184	28835.7204	33790.86629	36593.3412	23262.042	NA	25709.508	24503.15625	44863.476	33028.968	NA	90719.5072	36587.44	50646.57371	31752.32775	NA	58154.932	62026.45143	41014.79771	33783.14971	NA	NA	53465.0592	NA	39839.20162	55456.968	NA	36927.15429	NA	NA	NA	26497.8075	52031.9216	35406.936	NA	34941.98057	64743.042	38108.85029	NA	NA	NA	NA	36904.69312	75850.3216	35541.2808	34241.82775	35341.7388	NA	38226.524	33660.2784	NA	50036.25562	46928.44763	NA	NA	NA	NA	32653.1336	32361.38286	42759.1444	NA	43154.71886	16979.7432	NA	NA	48805.13512	24395.87875	NA	NA	20721.6324	23062.1772	23065.8784	27674.7456	NA	68524.9432	24304.476	21196.2784	NA
C612	Benzyl ¦Â-primeveroside	402.1521	C18H26O10	Phenolic acids	Phenolic acids	130622-31-0	2	35043.17483	37383.008	63080.176	38280.3588	18660.664	NA	45421.3225	13437.84	33039.35111	10470.56375	NA	65625.05	51724.55183	10325.294	14076.892	34794.9576	28447.983	32924.19889	NA	34215.1576	35787.24583	81370.8701	26445.725	25123.7605	13302.45867	36933.77	26822.3275	38090.078	30396.338	212918.77	35850.8095	32150.02	121433.953	19888.47	NA	NA	268588.3388	8087.31	186524.9025	112801.453	91567.3793	NA	126963.5738	106880.176	38015.02667	8126.9815	59000.59383	7464.296	NA	58870.57917	89372.92717	NA	25970.77	33091.983	41549.77	56664.95867	116455.8225	86204.59733	11613.483	159800.1437	NA	132204.9488	NA	140939.7015	31170.57917	20145.953	48778.30625	121139.8237	10470.56375	140793.77	20721.453	171115.516	147108.8937	202105.875	100909.5588	23153.4725	10362.453	209615.8225	27542.36833	456989.77	63528.37667	149835.664	14610.2605	44892.453	47896.77	85373.7345	NA	26137.2345	105393.0725	261443.3963	12217.315	33006.474	NA	24394.9845	28208.225	12193.983	11083.5775	9786.953	42895.19333	28536.0725	283312.77	80692.983	10456.9845	61238.3282	59108.61183	9786.953	51369.89625	39130.336	NA	71085.80333	65220.725	21354.77	28709.9505	41179.8588	10456.9845	27627.453	46515.81375	82930.336	NA	61923.09125	25071.1	450667.3225	72480.338	NA	126882.1107	343576.953	19983.225	NA	NA	158159.4012	164235.5737	41896.65467	41179.8588	39530.95667	325645.815	31316.1576	57165.89875	83533.3092	242091.8667	55826.953	40579.54625	167189.5747	127018.0763	45021.52125	498055.1576	NA	26948.866	68842.2326	20451.09383	135673.4633	96563.2425	58299.8275	75357.04625	66197.05625	14305.72	525607.008	98306.85125	51670.305	NA	11641.32133	31737.72617	24964.983	331888.3225	NA	115104.6525	33136.94883	262903.5775	15041.29333	242404.8002	17591.0175	16872.98667	55976.162	33681.7672	37458.81333	25816.4525	15283.225	14621.41	445967.7978	23095.7725	87733.18767	85592.1525	47542.3564	19168.2345	NA	24551.3535	139491.6233	23295.8225	22796.35111	81398.31375	NA	106171.7956	38992.14556	NA	NA	NA	NA	17633.4217	28734.2453	NA	31207.57467	NA	96850.2588	18747.5145	599192.176	54685.42444	12796.06375	24822.6625	82685.3225	17473.3225	169680.5212	73654.2588	192529.4925	49367.2345	45421.3225	43092.3225
C613	Benzyl-(2''-O-glucosyl)glucoside	432.1632	C19H28O11	Phenolic acids	Phenolic acids	-	3	14770.54383	23398.61333	NA	NA	NA	NA	NA	7129.054	26921.47783	NA	NA	NA	9412.7215	15307.31125	7487.9856	NA	NA	NA	NA	NA	NA	20442.06117	44373.479	NA	NA	12055.4407	NA	7089.5232	27670.916	14944.47083	5451.32625	NA	7369.371667	9975.311167	17638.40667	NA	NA	10588.24111	NA	NA	7442.976	NA	20595.0951	13815.5184	26826.93222	NA	NA	NA	7378.129833	8468.7185	NA	NA	NA	11558.1951	7441.466667	11335.30125	NA	NA	NA	10398.8388	20689.925	7001.1846	NA	16829.1376	12939.79717	NA	7376.878667	5900.949	NA	NA	8392.30875	7846.86	11069.33029	7898.961	5974.962667	NA	12379.95	7436.9448	8377.425	10977.648	7822.9325	NA	NA	10973.979	12564.7973	6940.1436	NA	NA	15118.40556	NA	14926.96267	11366.99817	5914.925	6946.976	NA	9478.479	8618.2386	10973.979	7938.976	9391.3315	NA	8827.4415	13464.22783	NA	18309.8364	12806.67375	19240.7184	NA	NA	19464.47667	5944.95	12831.7196	NA	NA	3897.948	NA	9456.296	43926.435	14562.61017	NA	NA	NA	42424.4325	7375.449	18562.8308	NA	NA	NA	10417.984	NA	8917.20125	NA	NA	5974.962667	15615.12333	7431.7215	6407.425	19464.47667	29612.961	12976.65033	NA	NA	14111.18333	NA	NA	10831.604	NA	NA	NA	33099.3315	19311.112	25952.2	12965.81117	NA	12596.18	NA	12222.15975	NA	NA	9478.479	NA	13978.86667	17225.3386	NA	NA	NA	11980.98483	NA	8929.984	12356.916	12079.042	NA	9483.1856	NA	9393.31625	NA	9476.8945	194888.0588	NA	NA	NA	8981.480167	NA	18316.17	NA	9329.1575	NA	9412.32625	NA	11516.58917	24702.74817	NA	NA	NA	NA	NA	NA	NA	14311.6196	12682.4007	8988.976667	NA	NA	18831.1448	21053.022	9648.9095	15365.2596	NA	NA	15924.29717	NA	9546.6125	NA	NA	NA
C614	Benzyl-(2''-O-xylosyl)glucoside	402.1526	C18H26O10	Phenolic acids	Phenolic acids	-	2	26600.292	27924.65333	50398.16222	39909.62667	21287.2009	24096.97111	49497.0725	10456.9845	34808.68444	NA	NA	NA	41221.305	NA	8080.308	38174.62667	29791.008	NA	5199.81	38694.81	34116.45867	71196.40213	18626.4715	13344.6588	13276.77	19046.77	24460.3225	39827.39625	57220.24	182757.96	32611.8225	27298.7345	104288.1107	NA	NA	NA	161747.3068	NA	100296.192	216889.5588	90230.05	NA	98427.19875	128362.9332	50660.79187	22368.84075	43147.2015	NA	9871.983	82875.453	84672.3588	NA	17328.08267	51667.983	27984.98889	58416.5105	87607.008	65516.59733	NA	129280.0564	14024.176	132787.3238	NA	152333.77	32231.453	NA	23840.2756	119637.9845	NA	84657.7576	17843.953	190030.692	90440.1564	117505.875	47194.453	6948.4725	23598.953	140910.3225	24174.453	276123.4515	50647.453	31944.7345	NA	39137.453	37986.453	58078.4845	14024.176	29124.57375	60401.4845	136863.3588	NA	12861.338	NA	23814.2345	27786.20778	16308.8225	NA	NA	40288.453	20990.15967	186953.77	95370.652	NA	37410.953	66392.97111	NA	46752.89625	39557.98667	17588.38444	41128.97	34358.5725	24294.62667	34292.05183	34300.45667	NA	29210.512	54060.12333	83739.81	NA	42123.308	10974.81	321407.8225	125634.4622	NA	106150.7687	237186.0588	NA	17320.57917	NA	94707.2584	136153.6547	49460.488	33479.02125	31975.79	198912.6588	28417.1576	40999.39875	76524.1092	186937.516	36835.453	28407.42125	142228.305	67774.2104	37700.4588	448911.77	NA	23260.81375	33641.1588	13961.815	57522.486	106280.7345	42960.483	57033.1828	27177.36667	15569.52444	342229.84	134927.2845	41780.77713	9257.96	22425.46333	21049.68778	22155.82633	240573.8068	25703.008	91092.02088	9447.90125	228296.8237	NA	174883.4738	21711.36	18111.008	47401.20111	39539.31375	20910.4845	31072.288	13360.7345	NA	369010.5595	21941.2725	78995.7696	51947.9025	37378.8415	22738.65967	13576.68444	15869.55	122945.7588	19792.09762	25962.01778	102208.176	21845.1525	95915.71575	16983.013	NA	4187.8365	NA	NA	NA	25915.55222	NA	30839.90787	11685.84	48138.6588	22262.0145	329787.7935	38454.08337	NA	15084.3588	43674.5725	14607.008	183835.2588	46175.77125	154518.375	50751.8	21241.79444	27286.983
C615	Bis(2-ethylhexyl)phthalate*	390.277	C24H38O4	Phenolic acids	Phenolic acids	117-81-7	2	2959544.039	2183414.086	2834936.732	2036002.083	2618739.769	2279553.563	1691740.291	2652087.705	1922899.329	2952185.938	3413749.373	1793176.87	2384997.601	2136749.211	2470017.444	2549770.002	2978256.537	1878054.027	2450411.217	3188426.993	3479918.978	1856435.816	3808289.768	3143552.955	3830699.499	1824642.202	2209655.046	2115103.671	2099732.775	1812250.905	3108648.676	2242379.063	1556950.37	2447502.822	2693853.96	1812824.502	1584214.401	2071949.33	1741244.966	2224658.949	3108247.998	3383551.592	2013005.433	2190770.382	2037848.836	3228485.717	2435276.583	3181574.141	2907330.592	1843870.24	3715217.172	2491834.744	3032323.331	2114662.647	1757445.326	2184802.316	2427326.147	1619125.959	2427748.983	2606347.284	1277116.663	2607469.377	2572691.677	1562055.113	2064415.736	2365657.305	2425769.029	2638978.932	2266124.863	2162265.988	3248949.926	1912342.623	2420780.923	2384871.654	2549104.917	1983807.833	6730503.684	3265414.565	2069072.376	NA	1347350.783	2359475.171	3457591.128	6240746.729	3926892.157	2991830.938	2573336.49	4919993.541	NA	11785414.39	3291245.522	4718169.057	1874634.235	1046179.867	2063223.03	1784950.989	1568725.761	8096481.954	1601560.249	2980552.829	3370320.654	3414087.376	5466393.161	2883376.856	5091690.487	2940117.143	3827391.371	2499522.062	2807408.843	7327117.393	3570361.813	1949823.065	2080088.828	7280993.784	2761232.787	9547640.191	2899607.735	2478778.562	13117069.9	15014938.85	3492273.878	6269315.069	3079737.698	1260847.431	4072509.562	4300295.183	5613382.484	2779760.931	2502627.485	5832313.987	3479724.871	2551373.102	3283678.102	2744142.481	3789902.552	7985973.785	1830717.788	5099833.07	2952221.757	5760032.872	3597016.964	9543009.947	6104852.67	8120227.679	2049823.198	5611840.531	1659843.652	2739768.393	1990688.232	3176817.675	3641011.376	8089236.061	2452195.149	4748735.635	2920257.854	2868906.623	2918151.479	2962977.639	2652329.605	2219770.903	3411245.553	1728233.382	2267569.668	2432981.893	2155900.052	2445754.238	1954930.966	2348341.362	1528939.317	NA	3714085.611	NA	NA	2549932.775	2894081.268	3448901.688	2327889.632	1548017.69	2554312.61	2378143.572	NA	3606637.229	2425936.764	2318842.058	2754212.301	2653057.6	2337890.836	6493379.086	2828587.956	2996166.517	3752568.871	3506352.547	1854029.752	2354906.388	1758263.568	3744366.692	NA	2885864.499	2434218.906	1564645.735	3571044.271	1822823.971	NA	2027777.5	2451813.794	3077943.264	2740571.508	2410548.889	1889245.282	2527318.28	3543504.107	2369901.608	3040861.284	1681902.252	2195569.199
C616	Caffeic acid	180.0423	C9H8O4	Phenolic acids	Phenolic acids	331-39-5	1	2244653.804	3808251.013	2793205.356	5641339.495	3028110.07	2929861.583	2246644.828	4176065.364	2181319.177	2823694.302	3383817.178	3313089.316	2654558.703	2408338.865	1369349.283	4236550.256	2585236.53	5150900.306	1357023.682	2215767.035	1853884.533	3414460.455	6613011.085	2991441.743	3017766.127	4249074.479	2789713.728	2416899.902	1825990.535	3736641.041	3003273.475	2718948.628	4050717.203	3359835.305	3175917.65	3155122.203	2546016.587	3277247.793	4067676.537	1456853.348	4392972.625	3007004.898	1716365.471	2396893.878	3349216.197	3741787.681	3219855.505	5279583.134	2922904.108	2697214.754	5839468.562	3429974.675	2354342.27	4290743.988	1576849.74	3127312.98	1877424.962	3204115.069	2338655.029	1894626.314	3402233.31	2848952.77	2939067.455	2065491.845	4846279.675	3805841.81	2052330.885	2715108.488	3690063.634	5197703.572	3923951.426	2812379.433	3693697.648	748650.5278	4053623.072	4422668.058	4225796.454	2931079.942	3765031.471	3801985.326	3921427.828	2687484.803	2705613.091	3287358.614	2967987.3	6237877.549	3157849.812	5331536.642	3153099.923	2287539.753	6180464.803	3089894.163	5335587.301	5778891.62	4794039.09	3854726.033	4423899.292	3462257.162	2896949.652	5258697.35	3210427.501	4398518.302	3464456.493	3308573.433	3746459.324	5390593.779	3875153.759	3625546.064	2740667.137	4679340.658	3767150.076	2542185.582	3722801.18	3081947.048	6568685.737	4073694.662	5430613.174	4207416.093	3727061.621	3411918.542	2911027.648	2599785.109	2003322.455	3527127.346	3724023.003	1955489.972	1982067.346	3507877.209	3216131.348	4737204.36	2900056.551	3862436.969	3998760.58	4365252.431	2277176.486	5850083.802	2100830.942	2961651.772	1709733.792	3344886.105	3157005.815	2124436.163	2426168.995	1970610.62	3705047.307	2553979.498	4125117.77	2719580.753	2374547.61	6037794.832	2684076.852	3324587.831	1712880.094	3285948.819	2259384.001	3519283.825	3994284.59	2479126.406	3415448.216	3385767.251	2333518.997	3765654.644	5820287.84	3968417.551	2342943.473	4394568.066	3593666.759	2665105.439	1988445.059	2160021.803	4304646.381	2049329.862	2865700.035	4132500.838	2839140.846	4505428.138	3686949.266	5558659.612	3680312.614	3633201.288	3943854.673	5289927.595	2804201.751	4250922.369	3773115.678	3521656.203	2821174.893	4628442.304	6211987.295	3187073.509	4824263.513	4292610.991	1622323.535	2807016.867	3142603.325	4061121.891	3843386.041	2498981.312	5240234.409	3717795.799	3243062.658	1704843.784	3820914.726	1745833.686	3224136.014	5795950.361	3832000.57	3059490.356	3914151.824	2444516.679	3412471.904	2148165.169	2215181.785	3397936.898	2350639.068
C617	Caffeoyl(p-Hydroxybenzoyl)tartaric acid	432.0693	C20H16O11	Phenolic acids	Phenolic acids	-	2	88975.0652	106010.9064	83601.1652	74644.6652	132974.3573	60810.71125	83004.0652	65080.164	75241.7652	82253.96	171181.8076	51018.968	53709.8408	70287.1715	67353.96	51221.337	84198.2652	66219.26017	149879.2652	59333.3055	77033.0652	29617.1064	81138.5064	40616.7664	108679.3652	138903.0863	102133.3125	56637.83625	48575.7076	84212.3664	69867.8652	67368.08625	89572.1652	64373.96	87183.7652	116862.1377	28229.505	116268.971	74841.242	142737.9664	159171.3363	70348.71125	54949.5664	72256.2652	111800.598	235264.5652	90655.136	109471.6004	132414.5625	64672.5555	56134.5652	149633.3363	45617.468	45386.7652	38754.08625	40239.505	29216.08625	74059.9664	80018.5652	100133.96	80465.96	44715.33625	121914.242	47775.1652	158265.1664	72256.2652	71071.1064	82867.33625	193705.96	53994.0555	261220.3365	50802.6285	47170.164	50104.7568	52551.9652	53203.3365	75838.8652	59009.96	131749.5862	69752.58625	160029.9652	36908.63	47695.96125	73850.337	45907.58625	177613.96	96879.588	118830.0652	131721.96	25211.80133	123973.96	101325.96	155594.5862	112649.96	123586.164	89424.71125	46493.96	132161.588	78098.33625	86425.96	18009.80133	118929.5712	54241.96	131125.96	139131.4652	56134.5652	39415.7652	54837.96	122211.5862	101347.2113	132345.7112	129337.96	87780.8652	37553.96	88809.96	71659.1652	134701.96	46493.96	46845.005	69282.3664	65699.1664	27427.71125	85829.96	141883.7113	40609.9652	54421.588	120638.3013	131749.5863	43657.588	90148.63	47099.83625	143908.2652	122438.8013	86601.1664	60749.337	136518.5863	109096.8362	97947.9664	86271.075	62585.96	115266.7664	36217.242	103305.4652	108697.5664	47775.1652	164209.6652	112261.9652	164209.6652	90184.3664	57817.96	103792.0408	105849.588	92297.91917	42848.6408	47395.66163	32847.6652	71650.524	51908.242	157044.4652	57338.3664	106694.4184	105849.588	42998.3652	102434.337	38536.428	127012.8435	32847.6652	75140.2992	37418.0408	57472.7588	40012.8652	21101.7324	147854.3948	194334.242	138628.2324	79421.4652	88232.46125	75625.80133	80465.96	64601.9772	94371.6588	109276.4652	92981.96	115844.5652	124142.8312	77630.1652	125974.164	56134.5652	107503.1664	74237.742	191676.2652	66984.6408	81675.08625	180928.4652	139893.3788	51893.9568	166545.6408	97350.7664	114677.6288	135168.8408	131347.164	168534.837	173143.575	69296.59687	50399.69067	84569.337	245781.588	62095.164	142690.164	43479.837	90184.3664	79604.95125	60836.21375	183316.8652	100467.588
C618	Chlorogenic acid (3-O-Caffeoylquinic acid)*	354.0951	C16H18O9	Phenolic acids	Phenolic acids	327-97-9	1	4729431.267	4603098.423	6823631.219	5328347.922	3886827.812	4709217.157	3783198.707	4072598.545	5458508.01	3802049.025	3593551.74	6544075.04	4133296.066	3396507.294	1437840.776	7339047.567	3084311.521	2505013.115	2675484.955	3900858	2928713.042	9354631.574	5057071.588	5314562.098	3427132.802	3820084.953	3048518.936	2721241.587	4369383.539	5826019.464	3309507.533	3814380.916	7452572.967	6068080.635	3464460.591	2885445.18	7263474.38	4761727.46	4966928.525	3281796.254	5843278.316	1751411.009	3323026.645	3024567.312	2873346.838	5308628.058	5505281.723	4540300.094	1838853.541	4109717.169	5424682.824	2541712.038	5016757.49	2654212.792	2325379.266	4783016.844	3534399.879	3588713.068	2809388.27	3170016.142	3533182.22	4093229.932	2555573.619	4380951.538	2765075.157	5431887.903	4919982.939	2641852.191	2996907.771	4785500.153	2458281.912	4747264.195	5034451.154	3131825.63	6398376.036	3519392.486	4627499.146	3326131.227	4906899.467	4803612.901	5302772.919	4530239.296	5354961.056	4870733.391	4138239.923	6389902.367	5326254.414	4609665.72	5201889.233	5420456.637	5248600.146	4830309.808	6135424.601	7021713.89	6597954.258	5673414.372	3951428.642	4209503.447	4281834.795	5435033.331	7794377.292	5648170.176	3830632.664	5699054.918	5595843.793	4955339.124	3150344.805	4338459.439	6606256.967	9828582.653	5007676.311	3157098.93	4535918.995	8630117.121	3697081.047	3816618.097	6268652.888	11470896.33	4257342.396	5509083.923	4150119.841	11484020.03	5222274.173	4873343.419	6667364.961	6457730.674	1902322.701	2675436.677	4623599.115	5180632.283	5651887.078	5126023.165	7620997.73	7235026.157	5452780.089	7133768.453	5357704.036	9540948.4	6938033.248	6358451.184	3483284.22	4706305.885	7057061.506	4797359.567	4979777.474	2400530.798	4904293.777	8300584.889	4003226.664	7192266.794	4131944.195	4842151.768	3427215.911	3307047.488	3047123.494	7232889.87	4172576.44	3175605.734	2372773.699	5715854.607	3692632.154	4554579.446	6920845.129	3216967.748	4780211.385	5171414.984	3648978.299	2630059.983	6199531.405	4362597.566	3780735.48	5641411.841	3196806.224	5277716.566	2551567.584	5491491.008	4134882.446	9701352.412	2722544.73	5950533.908	4473654.45	6810077.409	1853969.388	6228737.843	2518890	5851687.842	3774457.958	3643473.604	7468652.06	4117933.046	9649518.822	3525492.558	3284872.417	4668218.305	2581994.498	4246694.492	3582207.744	5839787.082	5286432	3421886.306	3744963.512	3714457.296	3524243.637	5550891.552	2625348.204	5519272.759	5662068.279	3444795.129	2720829.447	4653944.977	3236203.965	3028624.133	3275848.174	4655812.79	2045258.738
C619	Chlorogenic acid methyl ester	368.1107	C17H20O9	Phenolic acids	Phenolic acids	29708-87-0	1	19984878.6	21350225	28648457.22	23117815.67	17186085.16	19413316.13	8267801.482	41617927.4	37890785.26	21876741.51	22397802.52	34320497.39	20122363.88	27723210.99	19084274.19	39864027.81	34657995.46	22851999.74	15554847.44	30006860.14	15831840.66	39848789.6	26491014.23	34791553.77	12981834.17	30075030.93	20303609.86	14951464.54	19942544.78	27223304.1	11900252.23	22089499	22552085.96	37441174.36	25887944.52	26766264.31	25936820.99	35025745.51	22205239.76	26789867.9	45645537.01	15111141.11	35503173.55	35493206.32	22288266.96	24767785.61	20958012.32	5285203.714	14881446.59	34848168.53	23886626.77	25968457.76	33671896.45	29043041.76	15296733.11	20610142.34	33930287.9	28310825.81	27649426.85	18888007.79	15376465.3	12873984.29	16114346.64	27882234.83	23769326.18	8603200.214	18874741.26	39587358.82	12965093.46	49159535.46	21155269.14	34390649.58	19652339.88	23970490.56	14023566.89	31812346.99	15217431.78	46098467.36	35430623.37	32511409.49	35907891.38	38663041.41	45234025.71	18523480.9	33409315.11	28765524.54	30272033.69	27548569.41	24702787.48	30636728.49	26749008.42	29783959.4	29671557.55	24889463.16	22199129.87	25111670.31	24830553.49	21515356.02	35800804.45	48669572.25	28628591.11	40240708	34527166.19	43231393.16	27980980.33	45470936.52	35753830.92	26841216.63	28997647.56	23066057.14	26443216.1	43092352.41	35902047.19	36846041.13	22129566.95	44171181.96	27583323.07	24996918.95	30843707.45	24285229.26	35399041.17	35650367.39	26315011.81	19483487.72	28420390.06	16046389.37	20401610.87	22798180.89	37482554.74	22141284.5	31936863.76	27198504.12	22350330.79	23306391.46	19185925.78	25631011.61	27400432.02	20547947.53	23230182.96	30251397.97	20038850.14	25886795.62	37057520.61	28806574.09	32739836.45	18755720.16	40204011.27	26142939.79	19493091.76	62900115.98	35369386.84	32842191.35	15178939.7	29250034.96	44914339.28	41311168.74	58642329.79	32600636.52	15889352.41	34121363.13	17726636.13	13336859.72	64661204.63	54010024.54	48131032.95	40126261.53	45549150.08	35804037.16	30673752.57	40134433.95	27738993.66	44058027.64	15875864.79	30988897.04	13503532.28	12195874.32	39695706.29	32396690.11	19607542.1	43966315.16	59798016.58	33096957.22	31522133.91	34909666.66	28474716.17	39981983.77	32776146.7	34962160.04	31530302.22	36625302.92	19837625.86	30833528.52	30951916.99	34109137.59	41194751.52	38627472.29	17992230.85	26811765.14	21658459.85	22807593.77	28841902.89	29265979.13	29890375.55	37282214.96	19976757.84	25730517.92	15678862.14	26207809.68	15872975.88	36961755.88	37794769.94	19799012.74	23035034.15	18531133.75	14086890.59
C620	Coniferin	342.1315	C16H22O8	Phenolic acids	Phenolic acids	531-29-3	2	415257.479	170205.9951	182108.557	611770.057	246506.902	224322.888	480449.3775	346759.6825	120522.5815	229582.353	153276.8775	105144.0956	129044.7604	249422.7342	135100.6275	237580.8315	189812.888	362606.86	181611.353	141385.1631	366597.1205	135614.8787	452219.8903	149650.9736	168491.7394	164732.1531	193784.9606	208925.7223	401881.6785	225868.6589	124261.8891	339217.7908	59465.2968	114400.4606	205140.3705	157020.2027	119824.2463	416291.0966	132419.3658	133987.3097	193359.353	189837.1543	121584.2275	76698.41625	729153.902	121366.212	148185.8766	159277.008	165102.1316	174642.5137	319704.198	146054.6675	306265.0896	325435.032	218465.4195	193165.3635	85803.40317	154945.5438	94198.176	294651.0263	388190.1205	265549.9175	NA	178018.4175	334317.4032	NA	365812.902	167691.6675	256182.168	188224.7406	345108.2076	323626.8647	117802.0538	191442.1394	406781.353	111610.7949	212754.212	202706.2896	280124.6076	122224.3717	291999.1088	333959.522	345104.353	151634.3076	135925.6695	182583.4896	NA	90018.04375	365373.8177	116816.2896	583001.353	91001.79375	107971.8705	121958.9175	592679.7463	342466.212	105643.5453	102678.1275	312870.4124	145934.902	112591.853	102113.0908	107004.3891	126384.6675	326090.1669	511859.1205	185794.864	122270.902	400498.6896	482987.5453	142002.212	170607.9377	154832.3177	140194.529	196743.3891	162003.7685	377411.353	189117.8944	146367.353	101087.532	192631.2394	294485.8896	171482.212	105134.3775	210473.9175	163701.1509	363841.888	151425.4163	310642.8891	109699.6028	98165.8896	212619.9285	111783.8635	108681.6675	417699.8635	321610.8635	112823.0966	106531.1908	116726.0325	336807.5088	148364.3775	77863.85533	209531.902	142373.5513	636675.867	141713.1625	173418.1275	316134.2234	295528.1531	166049.3775	261411.5909	504913.032	302616.8775	156700.1887	210095.9043	104229.4163	204174.7097	189079.3932	183909.0103	175904.212	138067.8891	130558.6896	154832.3177	503644.219	259971.867	122840.212	146083.896	194248.902	100422.691	170900.7143	359950.032	NA	148892.902	315841.8553	688200.8623	489063.888	168638.3177	265818.212	253492.4631	194145.8635	184560.205	135604.6956	207590.9606	305712.1749	174457.934	113308.6763	284515.9865	129867.5028	NA	173283.7838	414621.8775	333583.3577	117341.888	157698.1275	175026.1135	80610.915	103358.9373	81402.198	156048.4884	342283.8553	173447.5453	111610.7949	227765.568	234372.8787	373704.3658	85173.30514	152500.5313	117340.902	544930.7474	382926.1887	148505.5817	131704.7708	298271.902	557178.6034	74750.9175
C621	Coniferyl alcohol	180.0786	C10H12O3	Phenolic acids	Phenolic acids	458-35-5	3	5970.45	6598.9092	18516.39575	52077.188	31659.957	6577.63	7295.45	6617.86125	NA	11240.966	NA	15868.39237	663.457	10562.612	NA	8554.075	16485.4092	11936.925	11240.966	NA	2662.66	15252.978	23685.5775	15213.2332	18511.14237	17933.2668	13263.978	NA	1992.978	13861.6164	13082.616	5934.770667	4632.7175	11840.26	22441.1176	661.1935	22992.8175	12555.44587	5219.912	4624.112	4609.95125	2618.616	13189.9092	9208.945	655.912	3300.2055	3321.973333	NA	NA	15962.66	3270.114	1324.945333	1318.4435	4596.366	670.499	1970.433	1326.969	NA	4580.616	14467.63	19800.27867	NA	34010.616	1987.7175	14467.63	9261.4675	13263.978	6632.95	3969.966	17957.66	5925.762667	9847.749333	5265.26	655.912	12545.28	15841.27867	21779.77867	33062.86125	15293.2385	21055.92933	26399.9176	7909.269333	17755.13	11819.4744	21119.94533	29560.3175	21121.5176	19230.978	6633.978	10583.9675	46865.28	3303.4092	9857.628	17082.0675	18560.9765	21087.93733	13924.60114	25645.13	14523.5176	31621.26933	3304.445333	12519.936	16467.768	9850.8744	17857.7175	39665.288	10564.7176	4644.978	5293.9675	6581.928	15154.60267	8583.112	46865.28	7917.957	3957.269333	21121.5176	19801.9176	1982.272	11222.44533	5970.978	9922.7175	9233.908	1959.912	5916.19125	154075.2175	7938.9675	14999.912	9215.0775	17822.5176	4601.628	12484.8175	7945.40025	1970.433	15841.27867	20502.0332	7226.752	30914.95125	1327.968	9245.1176	59192.82625	17178.284	4620.457	12519.936	1320.0675	NA	4615.936	NA	7263.445333	659.433	17791.353	17857.6332	12484.8175	1997.487	11246.6332	4645.916	5961.24125	22441.1176	NA	19154.70514	12475.6744	5936.272	17703.6648	7913.853	44516.7065	11816.24933	11884.3176	11151.366	8537.1732	NA	17819.8164	3298.602667	9894.4092	654.6545	8525.433	8630.8596	17738.8175	18364.6672	21831.08888	14523.5176	106206.6375	16500.4164	29082.14237	14347.912	6599.9104	1959.912	63473.5332	5965.0428	17144.5092	6558.933	6605.9176	3303.4092	9228.937333	NA	5917.3175	13848.2055	31107.80057	7844.614	28898.06625	25224.38625	5291.132571	4644.978	4637.1435	661.948	7935.966	5320.333714	1970.433	16412.8744	5963.1525	13191.9104	1333.872	1971.1845	NA	1987.7175	8576.2092	4706.688
C622	Cryptochlorogenic acid (4-O-Caffeoylquinic acid)*	354.0951	C16H18O9	Phenolic acids	Phenolic acids	905-99-7	1	7471001.969	6280884.337	10600768.47	8300916.295	6669814.488	5725062.497	7732039.344	6890901.85	7985122.651	5478452.539	6396376.43	8160143.512	6456808.276	5780203.488	3189770.588	5887639.51	4933883.171	5423731	4964838.795	5954933.542	5503660.695	10972087.2	7107084.386	8401329.784	5807125.117	3857072.714	5153916.915	4638054.302	5551138.474	8413709.084	5855166.463	5184733.68	11905218.36	3689463.035	6604854.342	4086406.569	11716893.75	8948384.366	8279154.352	6000796.356	5798457.348	3696525.339	5447573.008	3229752.198	4653662.9	7775423.212	7923322.302	6454595.07	3648111.987	5626954.862	6519437.919	5508531.858	6011395.081	4414756.644	4868042.257	5549268.433	5550566.951	6079646.34	5449062.203	5612303.225	4013326.348	7061284.663	4731029.916	6845419.198	4088877.47	8568464.581	7957423.583	4624808.922	4711910.294	7662326.942	3890131.143	5441176.018	7679229.339	4999612.801	8657933.602	5326330.647	7429047.13	5726054.404	6130980.344	7471505.044	5700134.233	4402867.384	9146873.617	8480252.235	6319333.079	9756331.042	7213750.453	6289704.415	4673917.585	7275180.386	9278517.806	7540540.198	8404891.341	10088251.28	9442294.255	7216736.16	5749687.512	7147301.236	4505693.874	6755686.55	7432408.188	6882358.82	4900221.82	7095933.649	7947024.1	6567702.572	5841046.626	6868854.76	8045618.956	13155551.69	8106874.636	4594309.702	6443581.089	10993883.43	5744339.298	6556027.428	9236789.991	13463559.27	7464320.774	7875303.185	5871836.867	13762968.85	9603495.522	7997206.455	8603946.653	9529146.396	3179410.724	4888247.57	6171980.322	6967036.413	8013016.975	8064644.123	7417542.132	7630220.976	6518507.538	8226811.178	7473941.162	12535056.74	8612796.788	8308049.94	3806448.736	6405163.213	9554236.545	5554328.658	7542816.217	4955081.406	8775148.489	9887743.293	6469334.578	10855664.16	6925281.908	6844208.152	5461882.344	5775694.214	4645639.821	10405682.12	6364402	4535688.512	4858131.667	6477221.743	6423051.127	7180481.258	9039147.959	4278645.515	3687559.808	6924555.7	5800636.42	4655893.668	7784088.335	7184088.945	5302993.435	7961178.427	5656434.697	7654112.296	4961358.92	7276894.17	6996957.952	12238832.33	3667212.911	7865363.89	6943429.891	10846943.05	2508429.744	9094060.43	3052940.546	7770738.041	6153371.163	5120333.264	9474281.186	6494519.781	11918230.84	5878937.354	5474727.857	7745660.546	4030312.085	5850993.855	6521127.588	7855882.98	7543288.258	6173317.116	6405512.468	5436486.369	5685163.604	6658635.412	4809840.065	7263665.426	8090692.187	5591611.414	4880256.858	6520473.876	5489781.506	5453863.213	5972685.863	7984590.495	4467333.087
C623	Dibutyl phthalate*	278.1518	C16H22O4	Phenolic acids	Phenolic acids	84-74-2	1	9944697.818	9682006.583	10009693.5	8872130.734	9263690.2	9867833.958	9094702.829	10081260.22	9113950.871	8610110.976	9175916.017	10309310.05	8558582.655	9413794.359	8956744.078	11333782.76	9764068.34	8281011.357	8409167.104	9482525.057	8420141.386	10958676.45	9958639.5	10800907.43	9264168.942	9494373.933	8224823.787	8578370.059	8957667.026	10409680.35	9422615.549	8634375.813	9292382.466	10368014.76	7484843.085	9573894.087	8978312.57	9461851.284	8268465.494	9064195.848	10382170.07	8090929.591	9826009.032	9475841.176	8940842.621	9156194.371	7694832.762	9114769.737	8477788.76	9617259.051	8885971.436	7940521.286	9410519.897	9444492.161	8677308.897	8936101.401	7903095.579	8913950.203	8791092.137	8974517.672	7515344.762	8628864.27	7384806.486	8237727.651	9412849.218	9599321.64	8394230.661	8137572.067	8218447.871	8138663.59	7722942.162	7918915.038	9517090.683	7964513.122	8098069.591	7183075.33	6866696.393	6494379.032	6475794.73	6097361.846	5882664.331	6212183.533	5988965.981	6733999.594	6427746	6361198.402	6567712.608	6947896.256	7112436.593	6928564.271	6593322.593	6465161.462	8583485.204	10570209.26	10438299.32	6652362.345	6303042.968	6072394.205	6914589.631	6119137.725	6098695.738	6377746.29	6467508.715	6447800.069	6432648.604	6415135.988	6620808.551	6216465.723	6374629.348	6617002.534	6294242.295	6586823.272	6054329.83	6473718.425	6459889.981	8149126.278	8104327.593	6287140.682	5961350.304	8867633.716	5939390.019	6248097.88	6191916.955	6447459.942	6221248.18	6541660.535	6532093.504	6418185.226	6851713.778	7710815.874	6555296.201	10118702.16	9005185.024	7628685.573	6445081.941	8660628.48	6667372.319	6120312.287	6118242.749	8356853.063	6660343.629	6610399.444	6715269.255	7300609.216	6255677.6	8854088.349	8502025.285	7899542.12	8759072.434	6401764.546	6409018.462	8692052.063	8739432.51	6452781.223	8386200.827	6485218.643	7488695.391	7508939.922	8016064.449	9925412.478	7908463.366	7848715.876	7606664.144	7667673.266	7586991.133	7176000.865	7253454.742	7255692.308	8733342.606	8423971.083	7674632.028	7552072.932	8764662.991	7697932.422	10293173.42	8271036.046	7792987.37	10286137.68	7291088.52	6547107.786	7062517.191	6862016.138	7715082.78	8845664.596	7871108.773	8143476.73	7519529.015	9828760.887	8310240.965	8808961.8	8269187.144	8088372.245	7025842.025	7809981.76	8794690.982	8154865.9	7298409.252	6500246.525	7077591.561	6533300.573	8466508.861	8334480.779	7398272.339	7510931.321	7601755.828	7226142.3	8047463.139	8810133.728	9755447.229	8807221.216	8548895.082	7624952.11	8080162.848	8042398.074	7587135.917
C624	Dicaffeoylquinic acid-O-glucoside	678.1796	C31H34O17	Phenolic acids	Phenolic acids	-	3	37081.92067	42230.4274	27845.05222	80156.7516	13484.48111	32165.6765	11440.94	39700.27967	28948.75667	23884.61444	92820.986	41921.31222	19607.78617	19414.61778	9480.834286	85829.36183	14978.31222	28919.74667	10985.53333	19003.66333	22826.5532	NA	38430.1269	48515.39	48911.98	34513.83444	57881.08889	NA	NA	27347.99667	32935.48483	42429.0705	22458.23483	37937.3205	NA	NA	NA	27946.31817	20539.7154	NA	46413.986	NA	122261.986	63867.75556	37431.986	12483.59	53194.87583	37950.87333	27092.4192	42414.9015	54561.507	NA	48900.81817	56819.73375	19939.98375	22527.505	19849.9532	15974.986	37425.73483	74345.56817	58813.23375	33461.59667	20519.2044	23954.98483	74357.986	57056.5285	36106.8168	21460.4015	85834.986	73858.986	10485.986	37976.21333	NA	77707.97317	22353.97333	22963.98	34936.986	NA	75842.31817	NA	30445.59	34177.035	57816.48375	NA	NA	12528.006	NA	23462.98	15473.4015	81240.10875	14024.0045	57318.10875	19845.952	131029.028	56393.986	20466.70111	22431.85875	13479.986	107790.986	49906.986	68369.986	45310.7516	13464.485	26952.986	45415.986	NA	16065.69233	50146.0168	32436.56817	9517.2545	104796.986	12962.73375	36432.92333	41541.58917	49109.952	47362.485	22461.986	76865.8205	62880.986	20418.7005	11968.985	59326.485	25398.7516	62880.986	31285.68655	13947.9505	47848.98375	46912.986	15458.485	44470.43556	18943.23375	60884.986	107596.5892	25604.77683	NA	47046.1725	34437.986	73359.986	23581.43883	NA	72374.0705	22429.9604	24493.99543	18022.00583	94798.86667	22000.21778	NA	43447.15222	80587.507	24955.9758	78608.93886	34437.986	21414.2005	81425.53617	22022.22778	46921.20333	NA	15522.507	20508.9489	38426.2758	44916.986	NA	NA	37975.3275	36714.90375	21067.7297	20941.985	NA	38057.676	44989.99556	24365.66333	51911.75889	29113.359	91462.035	11938.9725	43911.6515	19467.986	51395.4015	NA	21425.952	30092.01983	39427.986	32935.48483	30330.33	35978.5901	NA	21978.20778	41324.2005	215244.0425	36977.10222	67383.23717	55403.78625	66373.986	10044.016	16993.989	32439.4758	63688.8308	6568.03	19493.4401	45180.03778	83614.96733	54887.75556	121349.8532	52900.986	35862.972	25508.4489	31538.507	57003.66556	117770.986	15953.3604	32034.89667	NA	58389.986	NA	134498.359
C625	Dicaffeoylshikimic acid	498.1162	C25H22O11	Phenolic acids	Phenolic acids	-	1	52369.928	81001.4265	107164.506	158045.9265	62234.1765	113597.1765	56686.9272	93881.4275	35096.24625	38528.1765	65630.412	127425.6765	33589.4265	53287.89333	16797.6765	116560.4265	72042.894	107670.6765	33554.56	49405.928	45453.928	89582.208	106682.9265	37889.77067	44234.769	103719.6765	58699.864	55261.22667	23926.4792	105721.928	42753.772	75784.772	112581.1973	88399.104	53330.925	43833.896	57234.56	100396.1212	103335.0804	38998.3108	107825.7707	76637.76	27044.506	23367.894	104707.4265	127432.0108	112609.4265	111953.1445	36543.425	92854.4265	327525.892	69148.4265	42434.56	81819.896	36514.56	56444.978	47603.104	98112.43733	37532.19733	21736.4265	27669.928	85940.1765	56466.894	77108.931	36058.006	108193.1213	29520.3228	79927.89333	50104.008	224168.425	110142.3712	77956.69867	74826.10667	8522.737	72287.412	78057.928	113653.7707	99128.032	81594.898	73230.7108	58985.5332	71898.772	99602.57625	123881.6775	38867.772	187985.896	101546.604	122416.772	43094.4888	54112.008	99687.9275	91866.6765	160021.4265	130653.1272	178098.6787	216323.1765	148181.364	144217.4265	173263.506	204619.3272	124338.4373	84528.272	77727.772	98780.9265	109694.6973	182618.4373	144217.4265	61246.4265	115636.1067	234102.6765	89001.912	68001.104	125736.3712	64126.772	134339.9265	96829.928	184999.708	158653.269	103719.6765	142268.9275	127771.3272	88414.272	50381.1765	131584.1212	88700.62125	65301.245	38943.894	61240.2804	107474.412	237279.7272	91413.53067	74181.6108	96186.272	122898.0513	82754.03067	154970.2	70274.394	89891.1765	66275.745	82739.696	81001.4265	23367.894	31613.9265	26681.928	80846.412	45652.60267	69295.69867	86114.4804	33597.928	183781.5307	34568.425	61191.26933	15034.008	87417.026	48507.3108	159874.8947	111945.3804	48116.03067	34243.8108	81777.696	54218.412	128223.7707	128223.7707	42350.36533	39945.0096	101026.4373	82976.9265	143229.6765	19125.736	43686.4585	105846.0307	56775.53067	88882.4025	169019.7707	59461.87125	179776.4265	101026.4373	157732.5512	63144.43733	71823.99	35198.412	260369.772	144473.1804	128223.7707	123367.104	66966.478	41454.89467	128413.4265	226156.032	77034.3108	165767.8933	137776.2804	50519.2556	112268.6775	63140.478	94724.7804	129333.8108	55364.26933	184486.0108	82623.1272	59918.1108	8024.01	49458.2108	30625.8804	49078.19733	81585.76933	98894.6096	44400.392	56038.864	45928.2792	66581.412	15809.9265	27755.7804	68321.53067	53581.0792
C626	Dihydrocaffeoylglucose	344.1107	C15H20O9	Phenolic acids	Phenolic acids	-	3	265823.9563	224229.8843	419640.992	548266.2347	296858.208	185843.6257	241475.6129	279810.9815	122257.621	194692.3569	391451.113	142855.372	156081.9433	298147.7963	298116.9866	226633.055	241887.936	229467.94	147892.8786	500751.2529	224994.8011	274503.9143	532517.242	148952.526	480914.6898	212342.127	177508.7108	411681.6673	542830.3406	220722.0789	184718.8072	158455.44	211057.119	239690.165	284363.2674	298650.8914	221836.68	311653.8087	311436.7341	142309.2613	173785.0343	255979.5117	227211.545	164843.7403	662386.5269	218266.7779	499990.9429	179092.5597	129990.1834	549132.575	233689.261	192458.9142	308125.2563	486594.0845	207467.1466	276090.7357	186506.8364	314794.7712	105946.3608	142520.3535	640280.535	260047.8437	160511.862	301929.3976	536438.756	265616.8474	556972.536	201507.54	325395.4628	478780.9415	465943.415	126354.34	198400.1364	282161.3326	394962.9375	188275.256	438290.112	246401.0645	364537.9624	373070.88	217883.3014	257480.2595	556557.4584	253815.406	196471.548	315114.0914	141122.553	378833.112	589120.0998	165468.1544	499305.456	276720.48	300079.3768	435032.9769	676737.9452	205502.024	366686.4396	263684.5445	301659.525	66571.07617	568051.974	240640.891	251030.3432	240229.1908	237560.1053	367002.621	475271.5524	192253.2122	587881.6373	560159.3625	377946.528	174166.1935	232980.4917	184648.8793	409484.312	195862.5432	1016051.013	1200425.305	442677.5784	381121.4505	261954.84	306119.4519	368712.267	300529.2564	455791.9106	176279.814	132247.1753	520894.926	178932.5352	290621.4127	192694.9384	145436.184	244270.8125	291013.218	370599.6476	434452.8067	100194.1752	326614.366	427914.162	274119.8524	188254.022	188736.4869	290365.6186	137427.6888	694763.3367	389118.938	784441.8103	356911.7695	227957.301	510773.0547	480803.47	439906.4949	138797.8663	225683.568	382535.1609	164668.972	784445.824	405293.328	177521.8643	285391.704	219186.9373	320296.2416	469108.7886	1425662.062	190422.4652	557069.6512	323335.524	249860.0019	516000.6804	479096.844	357522.7686	141241.9087	225051.606	368022.4275	778638.4281	176150.35	247582.354	1300817.711	380729.3057	431367.144	199489.212	822445.1177	310106.4274	443766.344	237424.4614	166523.0233	361226.942	140639.811	743654.8288	139531.818	586048.1714	521529.8624	72304.71171	626045.3563	195390.624	138244.6329	244275.189	157690.98	433502.6043	681684.904	242327.8427	105265.6935	368139.9484	255758.2021	401750.63	248027.568	152768.4767	267174.9371	484146.995	263197.4613	151463.4333	327169.1383	680582.8223	673021.6457	134385.864
C627	Diisobutyl phthalate*	278.1518	C16H22O4	Phenolic acids	Phenolic acids	84-69-5	1	9921432.735	9750727.709	9943228.646	8875856.683	9287065.296	10388995.01	9186358.657	10006358.83	9226346.018	8590858.99	8631331.999	10063585.02	8507382.198	9594250.906	9378402.973	11122610.58	9614397.598	8273245.829	8388051.774	9573666.607	8285541.545	11207176.47	10018861.2	10975710.12	9450553.666	9438200.961	8417807.307	8478952.67	9237296.714	10152293.35	9063889.976	8510127.313	9300219.673	10376644.66	7437257.696	9768384.716	9084024.169	9447559.2	8387557.121	9087144.917	10369648.31	7991860.67	9616089.323	9224151.742	9158136.448	9068034.169	7649361.202	9043627.106	9079495.583	9490210.155	8589225.905	8014786.26	9669679.9	9421191.026	8834907.363	8989021.66	7896214.232	8982167.496	8429250.103	8996142.366	7557038.936	8633857.901	7746923.398	8390695.369	9131205.231	9764509.458	8371071.289	8216980.558	8143760.763	8098799.581	7608196.128	7700701.558	9667843.337	7982871.268	8218239.704	7242296.367	6972845.909	6407834.933	6542127.061	6264562.309	5960542.464	6036164.681	6305435.707	6550622.98	6369272.1	6460443.542	6503405.801	6827611.035	7078839.912	6915778.29	6498076.364	6660622.744	8299228.737	10935869.41	10509724.14	6801961.48	6205948.745	5994948.269	7033354.924	6226192.711	6162958.6	6280901.553	6273394.2	6718931.984	6579758.442	6513918.092	6575722.722	6406757.365	6226859.255	6519617.222	6322943.187	6635615.781	6247837.045	6467778.051	6361075.724	8273358.961	8094924.002	6391781.469	6183465.784	8663432.083	5998661.821	6276669.847	6092823.157	6289268.616	6142945.438	6525062.749	6474106.256	6413658.552	6611796.434	7820619.691	6620898.151	10412340.18	8713142.563	7734511.431	6407134.799	8257624.678	6842734.113	6271484.468	6210360.856	8343408.397	6501114.814	6727032.664	6705376.715	7240882.573	6278105.192	8789015.664	8292201.54	8018333.22	8718180.168	6553851.976	6276592.377	8650587.731	8918593.013	6567220.636	8709930.877	6467362.847	7523872.198	7740224.811	8131081.455	10173087.47	7799472.716	7792917.557	7824269.567	7920817.402	7410472.847	7324081.685	7229386.492	7250798.63	8693055.322	8346849.687	7630305.152	7539318.856	8930799.648	7706600.8	10386788.05	8244643.479	7789217.596	10401470.42	7372337.034	6039604.39	7152779.976	6859627.702	7787460.407	9029737.676	7960158.925	8100394.521	7615846.96	9958634.829	8415857.094	8870096.016	8514199.089	8011482.267	7049535.392	7609981.546	8944054.976	8031801.633	7575370.21	6359536.348	7318613.461	6422060.981	8325783.6	8235027.095	7656165.191	7555770.325	7636090.708	7477384.05	8097907.628	8589518.839	10043522.18	8899342.585	8753481.623	7693207.456	8067478.586	8023066.218	7536930.788
C628	Diisooctyl Phthalate*	390.277	C24H38O4	Phenolic acids	Phenolic acids	27554-26-3	2	2959544.039	2183414.086	2834936.732	2036002.083	2618739.769	2279553.563	1691740.291	2652087.705	1922899.329	2952185.938	3413749.373	1793176.87	2384997.601	2136749.211	2470017.444	2549770.002	2978256.537	1878054.027	2450411.217	3188426.993	3479918.978	1856435.816	3808289.768	3143552.955	3830699.499	1824642.202	2209655.046	2115103.671	2099732.775	1812250.905	3108648.676	2242379.063	1556950.37	2447502.822	2693853.96	1812824.502	1584214.401	2071949.33	1741244.966	2224658.949	3108247.998	3383551.592	2013005.433	2190770.382	2037848.836	3228485.717	2435276.583	3181574.141	2907330.592	1843870.24	3715217.172	2491834.744	3032323.331	2114662.647	1757445.326	2184802.316	2427326.147	1619125.959	2427748.983	2606347.284	1277116.663	2607469.377	2572691.677	1562055.113	2064415.736	2365657.305	2425769.029	2638978.932	2266124.863	2162265.988	3248949.926	1912342.623	2420780.923	2384871.654	2549104.917	1983807.833	6730503.684	3265414.565	2069072.376	NA	1347350.783	2359475.171	3457591.128	6240746.729	3926892.157	2991830.938	2573336.49	4919993.541	NA	11785414.39	3291245.522	4718169.057	1874634.235	1046179.867	2063223.03	1784950.989	1568725.761	8096481.954	1601560.249	2980552.829	3370320.654	3414087.376	5466393.161	2883376.856	5091690.487	2940117.143	3827391.371	2499522.062	2807408.843	7327117.393	3570361.813	1949823.065	2080088.828	7280993.784	2761232.787	9547640.191	2899607.735	2478778.562	13117069.9	15014938.85	3492273.878	6269315.069	3079737.698	1260847.431	4072509.562	4300295.183	5613382.484	2779760.931	2502627.485	5832313.987	3479724.871	2551373.102	3283678.102	2744142.481	3789902.552	7985973.785	1830717.788	5099833.07	2952221.757	5760032.872	3597016.964	9543009.947	6104852.67	8120227.679	2049823.198	5611840.531	1659843.652	2739768.393	1990688.232	3176817.675	3641011.376	8089236.061	2452195.149	4748735.635	2920257.854	2868906.623	2918151.479	2962977.639	2652329.605	2219770.903	3411245.553	1728233.382	2267569.668	2432981.893	2155900.052	2445754.238	1954930.966	2348341.362	1528939.317	NA	3714085.611	NA	NA	2549932.775	2894081.268	3448901.688	2327889.632	1548017.69	2554312.61	2378143.572	NA	3606637.229	2425936.764	2318842.058	2754212.301	2653057.6	2337890.836	6493379.086	2828587.956	2996166.517	3752568.871	3506352.547	1854029.752	2354906.388	1758263.568	3744366.692	NA	2885864.499	2434218.906	1564645.735	3571044.271	1822823.971	NA	2027777.5	2451813.794	3077943.264	2740571.508	2410548.889	1889245.282	2527318.28	3543504.107	2369901.608	3040861.284	1681902.252	2195569.199
C629	Dimethyl phthalate	194.0579	C10H10O4	Phenolic acids	Phenolic acids	131-11-3	2	29720.01	28703.70564	31825.42367	27372.056	31186.88129	30862.113	40780.73542	27055.267	29127.714	24553.15892	26576.592	24990.79375	26913.98233	32033.046	37588.237	31135.43691	24992.56467	29425.94909	22549.22675	25409.482	24892.55273	26518.98409	26901.07745	25475.038	26923.21818	22354.47686	16830.208	29865.16727	28597.744	31184.637	33750.76808	35988.487	23080.59429	20865.516	23372.711	24149.484	27035.27008	29121.11367	30393.63892	31981.70682	27338.4415	28691.92517	28096.758	30653.55817	32481.83242	23668.29218	34263.88592	31606.74	20636.806	29693.815	24579.57655	31029.49764	18425.786	26148.90545	31331.03	29090.77029	27788.032	27111.76536	24492.07091	17661.832	25972.14913	21919.0135	27953.44	31766.399	26247.64542	24699.07071	17257.74692	26685.87209	21598.05	22446.20455	39344.04618	35059.14464	26842.569	21421.40486	22874.177	27707.287	23817.25325	25431.81712	25010.265	25626.4775	30388.125	31361.78867	27487.369	20116.24786	32432.10545	29665.30909	32879.9935	31051.56382	23113.79509	32103.05	25177.57714	31132.062	28800.82536	26705.47	30919.00375	31024.6875	40978.386	39803.61891	29685.80571	35816.11	41149.7685	48212.35218	53298.31164	54744.168	29079.79075	33147.05143	33063.95218	33750.76808	35442.84345	32410.03636	35249.5	50665.37175	29266.287	33482.41664	36297.31625	30651.27633	32189.652	28308.972	35702.23575	42030.2055	34434.85067	26091.28958	25278.28129	26247.1875	29864.896	30264.88917	32514.70545	40393.094	26214.522	29687.66391	29888.65927	25755.831	32982.83064	29228.80373	37242.618	31985.44464	30288.05817	23350.69688	27002.206	31590.03609	28218.06857	34384.801	38415.429	39285.40355	20699.74	30712.334	29018.55145	32533.93082	35223.768	31346.27773	34336.428	37612.5	29430.19625	35924.32255	30792.67964	31017.42273	38358.40933	40972.468	39925.65091	45131.45455	26130.62375	30104.59858	29368.048	31557.46445	35542.089	34832.83745	42836.584	40273.344	36249.948	29476.112	40239.48164	33629.346	30883.16458	41404.74645	32528.902	38798.494	36248.072	36849.17233	37241.61231	33320.90667	43730.53733	32322.35236	38697.18809	34764.711	32848.76	44224.41973	38794.41367	40106.38091	39135.72867	38966.37167	38173.76618	37907.65975	34762.24582	28267.14891	39269.096	42284.0625	34598.76975	33852.21575	38174.69673	44716.98236	31745.86764	27845.15745	29970.76064	23398.04318	26053.52718	30731.4405	32613.83933	33363.71427	25631.58673	28262.8125	29370.0225	29335.33155	29644.6875	32100.24975	31662.1875
C630	Ethyl caffeate	208.0736	C11H12O4	Phenolic acids	Phenolic acids	102-37-4	1	NA	NA	NA	5403.4848	206678.4175	NA	NA	12704.79333	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	16263.7485	NA	7723.11375	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	10887.525	NA	NA	NA	NA	NA	40294.69843	12541.37333	67601.4535	14546.9825	NA	NA	4927.811	9778.032	NA	19112.72962	7287.1952	NA	NA	NA	NA	NA	189453.7793	6552.198571	NA	NA	NA	NA	NA	10348.44114	14673.96	11039.43317	NA	12293.15714	7586.695667	NA	5587.6782	920296.0923	363478.72	104181.721	NA	7301.602	12176.68343	597224.2567	294523.6075	570769.7366	507692.212	11602.847	70181.92912	974843.8975	795071.277	1370139.347	2087388.951	48136.868	106738.8795	29010.5075	3714627.423	330811.5887	73475.172	NA	873406.3059	50563.10588	1174223.358	739134.495	421624.784	347745.3727	99126.216	1019057.376	17363.47171	23282.92233	887473.6324	1410030.826	299073.4065	116718.2021	236156.8275	106486.0137	45932.75775	525321.0375	6939499.91	992756.7236	104259.3997	805174.5859	12270.384	18349.3762	99311.93125	11749.82483	112707.3791	735028.8104	26232.80767	330687.61	357860.448	1853551.971	1589398.359	NA	1298872.792	15755.24442	72662.2875	295011.1974	43238.38686	1290375.701	13879.15075	2051869.078	278336.7	257992.4573	17243.68629	32701.55382	1277704.991	NA	522453.9185	22738.32	NA	297904.4116	16780.949	1240947.314	NA	243792.7444	NA	3124752.719	353254.0247	NA	NA	79672.05458	NA	451617.9639	960097.7431	345694.6207	95638.90909	970907.8742	198852.4287	NA	NA	135900.864	1082493.973	18006.75975	NA	173677.756	NA	NA	2154185.048	NA	28517.10764	54030.88	2871592.361	NA	NA	NA	15754.44937	733566.7107	1258480.801	NA	1925374.495	NA	24251.25527	369933.586	346329.6612	497005.2656	491139.7958	591412.4853	419514.2035	49148.2215	426510.6907	818280.6291	57464.61967	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	13356.52633
C631	Ferulic acid methyl ester	208.0736	C11H12O4	Phenolic acids	Phenolic acids	2309-07-1	1	51156.9576	86254.56636	76926.38014	100922.4131	84143.41	78137.157	47628.22723	124074.1762	110486.4895	82157.92646	45403.312	104292.858	86496.27767	82770	53377.479	116861.0042	81233.72808	89561.15723	52652.28614	95337.606	44151.23056	126639.7978	127904.2329	100302.8083	62983.7775	96627.82031	62887.61862	71291.38477	63178.17536	197378.0111	75803.73723	61653.81207	68907.63308	75613.85778	93412.94862	97775.56431	95097.212	167299.5467	63725.832	59197.374	152360.195	67840.83877	110077.6635	135262.8403	109630.6984	75456.72837	52459.71	35231.802	49672.01862	119652.8564	78934.0545	83079.3915	81023.448	83473.65675	57390.71714	83615.2065	66203.7705	82302.53862	68729.603	72647.1585	66018.69923	39512.30138	69232.95167	81160.6635	112759.29	60149.851	96236.97675	71449.71086	45258.636	158551.0605	46498.37733	71070.15867	64130.2515	85042.127	60258.73962	97734.77512	72113.886	114756.264	71349.48175	64891.5845	103910.808	92945.07127	132332.9044	65068.02667	104894.6349	87340.39375	87525.957	127127.6329	103807.1075	118252.1389	212479.5152	59660.8914	97804.098	66909.32962	171269.6976	74158.5988	143009.8267	137536.056	225585.0012	299567.3764	196184.7264	228749.696	213395.5124	184743.9222	173728.7743	399618.7034	194831.7154	162539.9055	187846.5467	194948.3867	153857.3833	248125.3449	242471.956	235097.7615	146774.5554	263324.1555	NA	237336.1816	179185.041	143637	127793.5785	236503.8452	113461.8626	82144.74686	251066.3211	85283.36	79861.58954	186654.2541	139974.3828	NA	188769.7287	143124.2926	123778.5464	104849.3559	77633.17846	139058.6095	171985.7852	206019.4	116625.3535	409633.932	133865.7797	133098.8822	190300.415	74400.41917	168312.8053	99709.77343	228826.4197	145168.2831	124861.0402	513951.2619	153269.6633	154239.2073	103463.503	87082.592	269134.8257	248340.1128	228938.171	167222.5737	192673.3082	129378.8008	87412.72246	104490.4987	317955.5067	216064.6329	177661.8608	179652.7702	225958.0479	128820.7553	121159.8115	180281.409	158045.1504	68498.216	98720.532	143422.9183	93517.91183	96662.01671	216590.27	247369.4222	100700.5171	196020.375	336211.1394	153961.5378	95524.76225	238490.1044	128074.7507	170306.3381	138768.0646	171995.3225	232292.008	159579.882	158737.2223	104178.5901	201245.4856	189168.8412	256491.4709	222210.8841	122343.969	164547.537	273254.9959	209840.9436	177704.838	146549.8251	206999.506	172334.0884	169314.5806	155768.175	92523.67108	188240.8222	123929.289	150300.3589	269943.6834	136899.6206	146432.335	146085.7507	67014.95215
C631	Ferulic acid*	194.0579	C10H10O4	Phenolic acids	Phenolic acids	537-98-4	1	469490.1925	621862.6536	399469.3452	386727.3452	253372.62	1121303.645	398394.0368	220838.4368	725186.2536	616083.3452	610382.2536	438969.5452	518639.2176	605889.7452	753249.4536	759430.8452	441933.7524	621672.7356	498778.644	898814.644	306452.7452	767160.7524	465528.6524	726301.6452	313460.8452	565115.3452	448381.0536	372652.644	431346.1845	559469.2464	902494.6536	755800.6536	333848.0452	435625.0536	235697.644	693700.644	597626.2536	1104504.052	528772.9356	291799.4452	732557.644	755608.2452	358451.2536	772383.4536	958644.4896	480195.7524	143495.0188	294938.644	456672.4536	987512.6452	479668.644	474010.0452	783866.3625	574665.4536	577129.644	664113.0188	744634.28	877600.1325	663641.0853	402654.8452	148918.1138	242697.6125	681148.0176	635096.644	686164.3452	419153.644	589510.1437	601025.088	407751.6452	268532.936	546771.104	679469.2344	435420.7688	450514.4747	214317.1027	182473.104	332403.104	345155.1133	210481.6536	118642.1027	242512.865	243083.104	240831.4452	144193.104	197147.104	432863.2688	223629.7452	273019.5188	287630.1133	256718.644	755635.09	216043.4467	266315.4452	312660.7688	227573.752	186641.78	281296.4368	364224.8205	347624.2693	392582.6438	315322.644	235355.8536	293124.2533	323662.5087	190917.885	491134.644	298589.104	228941.9524	340802.644	357175.6536	169662.4536	357285.104	222564.9524	225857.104	297222.4536	209907.104	226142.644	385422.6133	501963.644	312480.6524	226495.104	180949.5188	188622.0188	143855.1147	697977.104	137175.104	931979.5548	226495.104	221324.2536	186004.0176	265898.4467	577216.6536	228535.6176	289251.0452	238283.0452	256718.644	302630.1452	359974.5187	212498.4344	276812.8536	166479.6868	295236.1188	200276.8536	162468.1452	251622.644	748029.7524	405648.4536	265636.644	546002.3452	276131.7524	185369.2176	387729.2524	591793.2524	467639.0452	1055045.218	237269.2536	468250.8344	943552.7452	761110.8638	223419.138	464890.9524	315080.8536	285104.2536	336716.138	319879.5944	211259.2356	357231.6548	630154.0536	614494.0176	208351.3433	230384.4368	252459.0116	331634.7334	224092.0176	421351.6032	543785.4345	346093.6908	1038904.83	228690.644	228022.9339	386441.335	254811.466	861294.2311	643547.8536	630043.6368	270138.0452	260189.2524	762334.8497	359304.4176	897826.9356	473967.3548	392314.0176	200276.8536	228304.2524	291426.7188	321771.1035	175210.1452	257817.62	390740.6137	279998.5188	216255.7548	492408.644	343555.6344	480942.644	551043.4356	460237.6176	289522.0188	409606.208	357657.1845	616083.3452	1280167.62	353591.2176	932325.0524	423506.8536	635139.5908
C633	Ferulic acid-4-O-glucoside	356.1107	C16H20O9	Phenolic acids	Phenolic acids	117405-51-3	2	7269269.107	6500611.363	9139669.727	7855610.313	2301332.754	6465668.417	6281389.172	7414440.198	9086198.56	6040202.291	6600984.961	9588100.964	5666533.464	6190960.906	3366028.501	10031055.12	5629549.256	5101132.208	5079067.66	6684656.257	5685483.16	11639113.43	6684325.37	8146976.567	6070867.767	6008969.016	6135657.938	6193973.716	6959016.408	8604953.612	5975277.209	6890327.932	10480705.64	9803418.524	6785266.842	4645306.792	10830247.77	7135881.038	8601625.462	6153597.262	7983008.002	4286142.6	5922398.702	5547196.816	5802006.682	9027393.741	7472596.174	7108063.707	4321169.492	6699906.164	7692960.296	5044729.3	6783183.32	4722701.149	5306269.664	6688105.111	5356969.69	6485186.932	4974100.707	6732885.093	6411426.627	7339166.755	4650742.553	6978746.258	4675950.384	9113249.275	7738903.176	5340532.281	5776727.727	8389996.114	4692789.248	5909891.167	9587669.083	5240975.253	8480593.558	6093305.966	6732148.736	6860861.824	6798276.815	7935879.571	8216327.402	7579700.503	9463103.27	8043256.065	7532816.259	9736236.766	8491774.904	7049207.027	8754261.169	8306676.442	8342991.456	7848275.432	9288944.167	9803537.868	10401314.07	8625060.257	6541204.621	7730801.737	7758348.001	7175214.004	10167831.99	8163230.478	6415781.506	8339395.844	9294321.453	8300148.412	6133082.165	7263480.281	8855862.146	15338819.44	7421126.524	6377490.793	6469253.501	11801631.78	6438105.322	7188616.138	9911840.332	14046183.76	7984692.944	8308528.934	7828907.943	15671321.52	8262366.153	7288616.788	10006479.18	9770794.56	4114893.275	5223321.356	7707917.531	9206629.261	8891595.216	8349413.789	10381281.77	8175871.605	8109243.891	9801214	8423394.646	13312863.27	9727588.226	9845978.883	6791373.994	8927665.638	10247892.47	7872719.868	8082341.373	4607557.288	8575701.748	11705408.3	7947095.211	11795374.8	7374774.575	8033580.806	6174035.174	6609541.386	5660412.37	11365904.26	7674444.399	5475174.716	5249775.969	8603432.902	6078939.893	8280381.775	9964499.716	5133721.861	9155421.123	8434387.525	7223743.989	5903561.296	8990107.464	7641710.364	6221105.85	9891233.012	6772549.856	8837739.535	5641835.487	9272574.023	7326289.057	13001903.31	5646065.24	9973209.253	7728219.875	11367402.71	4872130.994	9991040.831	6038398.546	8916108.816	6160935.808	6272285.129	10637654.61	7050030.385	12794613.77	6137332.325	6232970.231	8433513.817	5306612.646	7020044.849	7057205	8543755.634	8541082.368	7668182.962	6665199.852	6337353.551	6524352.645	9350794.681	5757384.142	8774785.431	8099923.29	7311598.035	6186369.963	8008875.542	6549349.341	6693943.431	6340821.721	8146026.246	5003101.882
C634	Gallic acid-4-O-glucoside	332.0743	C13H16O10	Phenolic acids	Phenolic acids	84274-52-2	3	NA	21170.83333	291398.0338	NA	NA	59381.98154	NA	NA	543136.1093	NA	41907.182	186123.305	35194.72083	51635.628	23358.99585	NA	24074.65662	NA	NA	NA	NA	1533411.77	NA	59058.10608	NA	45311.08569	NA	NA	273650.4894	648842.375	NA	142060.4353	321583.4058	NA	NA	NA	1119377.251	NA	844895.9247	167667.312	542228.1291	NA	51804.445	63578.8265	34019.01662	NA	38895.23175	NA	NA	58068.70192	35830.544	NA	NA	39477.90338	12211.66507	197970.12	172345.4006	79428.195	NA	218644.1969	137555.7846	199615.466	41028.03417	865121.2862	NA	NA	42771.49455	20823.66492	NA	328147.8369	NA	51360.69031	167508.312	308510.3653	34505.38162	NA	NA	196856.8855	NA	507160.8713	30926.21862	49311.47175	51659.622	27610.329	51834.83933	469604.8794	NA	NA	38832.03967	226958.4848	17214.44945	109180.3634	NA	15290.179	28654.82625	NA	NA	NA	107777.154	NA	2059213.882	161777.119	147706.097	44892.045	166729.167	53433.024	37692.14155	28074.72885	NA	73004.58958	NA	NA	128678.8912	40146.03417	NA	NA	123651.9477	1439819.243	38497.905	NA	NA	1309616.316	124422.058	NA	320441.3121	304212.48	NA	NA	95263.20875	29840.81462	186830.8874	45770.19231	77640.79723	NA	86753.02708	NA	73622.11875	68993.642	598696.2816	100371.1025	45701.60431	322877.6367	107679.504	76691.50892	1322684.48	NA	64893.54967	143838.113	NA	1384383.149	64086.22985	20327.06146	33880.97733	NA	85470.41917	114642.9205	301118.6192	114214.3417	NA	39500.06933	NA	NA	394056.1368	NA	379445.2195	64514.63362	NA	NA	161036.946	48726.43846	NA	75848.49225	NA	NA	23877.469	45675.09615	NA	668883.7225	NA	248967.6493	155170.0698	69370.17538	NA	21663.73592	41457.7405	257579.419	NA	189068.1129	35342.11731	NA	621426.983	NA	NA	NA	NA	NA	NA	45320.08091	NA	55327.99	NA	93551.172	26770.20215	227277.2226	59766.69667	27861.91971	13824.39683	36247.51262	39463.07354	104625.0972	234818.837	601971.9833	NA	40814.21167	NA
C635	Glucosyloxybenzoic acid	300.0851	C13H16O8	Phenolic acids	Phenolic acids	-	1	2138687.342	3112488.955	4626452.687	2849006.751	338375.0376	1050361.007	2527696.495	1137229.83	6520294.541	1605973.916	3626436.605	9564578.02	1251037.925	3223807.216	886772.89	904465.708	5754755.445	5491759.404	1023918.625	966508.9085	407826.1212	20989271.04	6635612.329	152453.6233	338742.4015	2416339.101	4153728.675	546535.409	3646610.318	6149539.783	497515.148	915377.9096	6844092.956	1927826.53	1011745.488	827885.6449	7245112.013	849891.42	2878708.789	1309753.181	1172948.175	446600.3036	2517617.279	2621412.165	2845416.33	257598.8625	640333.9354	704365.9935	698394.8796	1834743.957	665669.492	897997.8024	2223617.009	10682833.74	2151524.387	2455467.703	1802824.261	1079098.841	807929.1733	5890337.275	10748986.1	1479526.315	864083.0577	4793873.304	7672554.194	2248056.656	4243845.354	930233.4075	682204.6525	10672339.75	1210882.078	2648840.319	778527.18	1574814.318	13686715.99	765311.8272	5082900.009	1165772.625	724650.1344	6045164.452	3163023.424	3305121.643	1453189.297	1223527.371	1304909.379	2723860.44	1502373.285	1103100.727	2022287.993	610731.1931	500082.39	708086.5424	758384.4499	26781202.17	2457441.65	2088505.977	1187569.643	1511989.128	6354232.68	649807.4486	1542425.206	2536320.249	2124989.312	1427483.06	2990328.499	3736576.14	3085951.543	515459.2726	1064070.842	3345666.142	1149655.12	947566.89	676482.534	1950874.541	304805.025	1758135.445	6791594.422	34035109.02	478537.1304	1931258.176	12733379.49	6257648.633	4413897.829	612274.432	2098388.713	1592227.72	1208487.412	3696489.338	4946669.452	1314858.189	1121144.679	2422499.786	1850528.314	995139.1025	4396239.956	4401307.368	860671.0854	1808637.119	4330166.953	10302171.02	1714889.087	1301807.097	772576.1685	540537.1244	9012083.523	931174.473	1882574.991	1869408.899	1601629.081	4282950.54	2581361.028	1769133.02	357508.8077	330513.8738	3680353.018	1939189.035	938264.6696	1426820.537	768312.0424	674786.2425	1548043.535	660308.0264	3112256.077	1711444.686	760788.4758	350877.4217	1213067.805	870541.2073	3493245.204	5128384.998	832285.6998	747634.464	468459.7714	339235.3251	10288192.06	2640705.175	495592.5009	28803685.73	1198468.046	2157778.728	2819103.952	4148579.313	566875.7692	5065318.447	723450.269	1274872.834	1759572.557	4384629.791	3080830.628	5348824.156	2578800.224	9095344.795	487412.4987	268320.5764	955958.076	315001.6807	700774.2791	404602.398	1728755.629	4218946.077	986925.836	1252765.47	4864661.712	3419829.289	1139353.693	2147544.467	302635.9804	1895305.195	5430294.893	3270237.762	1864490.61	863334.3698	486944.67	3565311.126	1050179.28
C636	Glucosyringic Acid	360.1057	C15H20O10	Phenolic acids	Phenolic acids	-	3	122028.3022	304007.5338	338289.6495	1128947.602	306766.3989	132569.9273	80161.529	240926.8874	184145.6867	341398.2377	579823.624	342867.56	179075	209307.2734	142357.823	157530.5983	379237.8497	261001.9469	191639.02	107832.0729	231237.776	653122.0269	667886.0112	273046.4768	390562.8135	337502.0505	280911.832	209859.63	99018.965	287601.415	483092.8384	435879.6544	215689.243	455047.5888	400406.3511	137447.8757	582899.4967	502835.195	407484.0851	104434.677	707204.1071	187904.5631	194988.6078	346378.1457	511896.202	437847.0249	78026.0832	683900.9861	257275.4151	431118.2316	1545776.694	145685.9794	338721.3137	320196.55	97230.10286	371075.445	111237.5875	193886.01	176798.8051	560531.2533	220684.596	451322.2646	552856.479	423896.007	335753.4844	239799.0214	952868.6063	105707.1934	177326.2779	380131.83	201692.4267	434866.0584	342216.2296	297524.92	327353.3483	325881.2196	402436.656	464766.268	170546.838	285430.3888	120199.8926	154369.559	516867.0389	200101.0811	242655.5114	127548.8764	117813.4783	330658.438	253597.2936	352932.7397	138697.7743	233477.1413	166946.104	361862.6429	182703.2	270376.004	148811.58	92672.58986	246741.1564	438667.716	538298.4651	287137.106	198656.7867	152327.7026	429740.9949	522619.128	124687.0192	152539.0843	179495.4523	529588.1235	271083.8135	156879.6409	365714.0806	145492.9868	260336.5471	386609.99	227454.0433	202544.199	251667.588	155867.45	107476.9607	1478092.44	142925.0783	94889.4345	647568.495	219284.9367	74404.586	122087.1154	132680.799	559273.8844	223380.6669	194368.2178	177990.8696	161998.7841	144187.2594	156392.3227	207392.562	567435.2065	192273.6312	338891.399	375170.618	148341.55	144219.8126	113464.857	249398.6165	129479.6364	92176.438	399539.532	193347.93	590217.75	106133.2757	194110.852	148808.205	256932.648	538248.8726	733909.9183	580277.3309	426455.678	378124.9569	132679.8703	204485.3014	365763.598	476755.0817	296720.1129	406855.9537	193505.8563	387021.854	130037.7317	302007.85	125377.671	186024.9953	278778.993	158237.4733	367549.3	256936.5692	602214.795	219739.9777	441413.746	127604.3586	663919.828	307999.7046	571944.2232	192245.8	284344.9425	82484.7	362132.793	131427.5606	302114.5363	122109.68	285798.6021	689682.7128	131700.5424	192548.1343	68371.7	139444.6075	370893.92	339294.8045	273182.9388	203090.7246	219480.97	292849.2086	278654.3109	248193.5979	190478.3546	237674.8953	372162.9729	338164.5757	229714.9333	257249.7234	348732.1703	268350.616	120210.0393	904832.962	143539.3624	363152.1158
C637	Isochlorogenic acid A*	516.1268	C25H24O12	Phenolic acids	Phenolic acids	2450-53-5	2	95561.466	124508.1834	283422.2396	362890.24	279145.2475	170341.1134	126886.4188	228386.4188	72429.3908	136342.8421	148659.9345	385188.5509	147000.3544	104694.7396	34642.41863	404546.1546	144948.1686	254886.4694	85130.24	123516.4531	167099.8824	214189.0425	298192.7925	124183.6461	116790.5509	324928.6452	150822.8015	102141.4896	65425.41862	270125.9671	111180.1845	173807.2311	265828.8634	349492.7925	142730.24	74890.24	178516.6845	158095.9739	405330.7356	115308.466	259248.1812	167705.09	81674.208	81771.4975	269310.2914	348128.4345	191747.4188	326221.1158	105918.208	372074.0452	632548.644	158712.5246	85120.73886	229971.9345	71355.466	161615.2475	90216.9345	306615.5812	78785.34037	61927.80212	73782.27444	273067.64	146222.885	184385.2824	152313.2389	349087.466	100257.27	186531.4392	207065.1452	466518.1674	235503.9531	205500.2344	369015.864	29402.62588	319193.8838	242445.104	470163.5921	246159.8524	278341.1686	277099.3103	141443.8452	177751.6176	298060.1125	223629.7452	166252.1524	547950.7688	266277.466	346961.6061	144952.27	142695.644	448062.9885	205245.7688	261218.6452	311354.208	542402.0437	379292.9981	356565.2949	219772.644	413035.0087	984420.36	207478.2587	193083.7813	302908.9017	266474.0509	382607.8009	575218.644	437753.8625	142942.6845	269673.8622	564460.6536	215996.4345	128701.8452	341174.2481	204143.5566	480908.8536	277102.644	326788.644	316612.2908	248953.3646	306201.9345	317870.644	232807.9811	113721.1845	324647.8536	220927.385	136006.885	130872.9345	192922.6759	309340.6536	560536.0176	287779.6845	175402.6536	246944.8176	372320.8645	182617.385	613693.9851	141064.7385	286379.8536	177691.9406	306041.4761	194367.1084	107949.6839	66825.14	136531.864	233680.6824	126991.4186	236956.6967	276285.619	138251.52	457864.0425	68885.1125	182963.4345	109752.3533	233030.3423	185681.6044	422595.2925	358748.0319	129931.52	87502.49444	250351.192	203287.7925	277031.5425	380914.0425	89672.77787	105147.4069	290213.5131	184869.1845	286650.2925	88789.05888	77103.59325	322760.5267	168856.0121	273338.3278	359890.96	149786.1461	415986.208	328331.5425	673662.7783	164518.4872	551648.8176	173963.6569	732728.4531	293732.6686	364009.6845	231930.1943	171045.716	125067.4811	370008.7783	582809.1044	244190.0846	478477.2948	272757.7475	120061.8709	275107.7925	109237.7475	306110.7768	359708.8949	174407.3111	499260.2711	202718.2451	189988.5617	66909.40889	131259.2183	109319.8033	105784.5944	335654.4424	203153.8736	183335.02	165176.4345	152147.3423	198565.248	75658.25487	83737.35222	159698.3561	125143.3709
C638	Isochlorogenic acid B*	516.1268	C25H24O12	Phenolic acids	Phenolic acids	14534-61-3	2	100660.8634	164812.7925	285184.4884	378736.6759	299175.6055	250989.5509	158309.9908	250637.5878	100056.2936	169695.9259	173684.77	272715.53	114453.2982	128344.885	52599.16863	437558.5804	216133.8561	531002.2103	99370.48837	138042.84	162598.8634	254587.7925	352425.5756	137149.1437	118177.6925	326961.4752	210349.6173	147941.2532	83382.16862	239478.84	179431.27	187274.7936	317802.84	341580.5467	190989.9787	106467.5509	245610.2925	175621.6212	367521.4602	130984.6759	322605.3634	217382.6449	92938.1908	101434.3218	286674.3244	365524.0425	270161.8555	340670.6134	150416.8206	263168.63	960713.8324	172259.9873	92918.61338	317492.1697	100231.2587	210844.8555	94925.79362	308896.8891	64097.6908	71627.42587	80032.6824	185775.356	199825.9771	196549.0824	134210.6134	332148.5331	110581.7143	269178.4233	213547.9872	694878.5509	318734.2384	237509.2103	325406.6212	28171.8789	318734.2384	337444.6759	378091.4884	316116.9789	360429.1686	340025.4259	238090.24	262424.8555	553582.4884	316373.1258	181860.032	698332.7925	381962.6134	467154.9206	151724.5714	179373.7384	647446.8891	227655.2925	425190.1759	345452.7908	688481.8404	473895.2925	393880.5904	310346.8009	423899.8009	594337.5279	449663.7372	345645.2925	261284.5267	355509.9259	485192.6134	738751.3009	266260.8622	203694.27	259996.9872	658549.1212	237224.5714	220551.4606	375172.083	311158.5187	641122.5489	381962.6134	423213.6123	432701.2154	375510.7384	404038.4186	423858.7372	252688.6686	126010.2857	497670.0436	289027.6122	170986.3009	142382.9186	260022.1759	307811.5425	740459.5695	295638.27	228296.5425	375330.1867	442007.8645	238165.7709	664664.2267	182052.6022	311822.5593	182792.8267	319012.1235	268868.05	160538.7919	137893.7311	114777.8097	333573.5509	148154.7311	310791.8944	238201.119	132169.56	580342.7925	103301.6201	191122.6686	107741.5425	260080.5199	246282.2294	444370.1022	310668.3703	183852.9367	119695.36	338129.5267	216112.7925	368730.2925	461711.5425	107442.395	117376.8267	411931.5853	236896.27	381464.4771	96329.1262	164179.9367	363354.2178	183565.9496	253184.155	445380.54	183198.4878	529735.6686	364689.02	666270.2925	169544.8925	353510.0767	185999.4933	1095264.84	321309.1061	506707.2717	265819.029	215052.66	112840.2765	471225.77	579585.6669	309162.2722	489380.6698	367982.2451	99405.2925	279596.5425	188330.4656	316562.8896	337066.0824	231476.8555	524126.8933	384438.4427	180237.9198	72272.61338	127598.9328	118053.7222	130023.8353	258387.1878	243082.3555	166874.9507	168035.4186	203762.6733	199761.024	53486.02286	121860.9186	203796	132750.2925
C639	Isochlorogenic acid C*	516.1268	C25H24O12	Phenolic acids	Phenolic acids	57378-72-0	2	101110.2167	231854.8709	328933.5246	441517.9452	311285.562	218225.8817	165884.8404	287383.2938	149978.2908	165647.7171	206467.6845	310346.8009	90912.54187	145903.5452	39647.64375	468889.4671	229579.6524	382323.9694	90890.24	166268.466	167564.9452	269336.5425	350134.0425	162418.1994	152578.0088	384525.4851	155746.3908	118737.6146	72479.85612	285450.24	167394.1061	231525.3561	271412.2452	328331.5425	167690.24	116790.5509	314865.2925	223114.5989	329611.0356	137436.5509	354623.0812	191505.1449	115447.7936	104606.8536	301358.5467	433251.9345	231746.1188	314685.644	123772.7925	266499.8645	711536.644	219776.466	109693.4884	317632.0536	107664.466	219701.748	121979.4345	377409.7373	108885.9029	76143.73837	106890.24	232785.2925	215866.7453	223437.4824	141753.385	361186.644	183043.84	239369.2392	233186.2452	645403.5088	314086.8838	240053.2763	338964.7462	47931.81338	282835.644	228092.64	396437.2587	334800.1524	326174.8896	378091.4884	154185.8452	253292.8176	301933.3021	252936.3452	208926.9649	685022.8896	300681.0087	264963.84	146750.208	200441.6146	549544.7385	355202.56	429413.0452	350910.208	804398.9187	521715.14	487893.8574	311477.4885	467210.24	732672.0279	412891.6122	327366.3938	268325.6051	306663.4824	379646.2824	763770.644	293027.644	241589.2896	302571.6146	578640.7688	250690.395	178220.1925	370511.3524	177308.8336	493603.8938	337617.644	454188.644	496064.2908	391634.7693	195779.864	354816.644	230731.6908	166473.4536	611426.2908	311594.385	225182.0509	190586.4345	265050.4824	372482.8536	627374.8543	395136.9345	235993.6536	365652.4176	480722.8645	220444.2452	916491.52	184121.7967	196610.14	186051.9682	363568.8735	288658.4209	172457.1214	198209.4345	143798.34	313610.24	169623.1845	325970.7522	344902.7464	158091.52	481530.9345	162191.77	205231.5436	123885.1845	283517.1452	228875.6669	426222.2459	569619.7103	173374.1437	140185.2086	344533.2767	346927.7925	345645.2925	380136.4536	110166.7779	130634.9069	430750.2194	136322.56	390532.7925	106672.3089	131259.2183	324681.6517	204031.9496	280961.1709	405240.615	181149.2086	604134.1845	403357.7925	608580.9345	165163.6122	381663.1029	261895.5319	1041989.426	326439.6061	108162.56	242389.4233	295555.14	173807.2311	461070.2925	624713.7919	381681.2103	481483.66	410088.9975	122490.2925	272542.7925	215908.9975	349656.2768	364884.3949	324103.248	513341.6461	273730.1201	218398.7711	79651.63111	170123.8433	119837.9728	171414.9069	339826.4975	303688.8555	230910.02	215825.77	197508.6452	271451.3555	83679.55887	109909.6845	228318.7936	157117.7925
C640	Isoferulic Acid*	194.0579	C10H10O4	Phenolic acids	Phenolic acids	25522-33-2	1	918565.466	1170919.88	786826.1452	624706.4425	411564.7525	1553010.84	662864.3404	453441.2779	1220824.77	1081345.863	1295462.794	816834.53	1023780.853	1387064.552	1714881.169	1546799.217	821532.8561	1244199.493	582671.5289	1889765.801	610936.3657	1454366.542	930117.6995	1517082.385	640086.84	1118605.95	887551.8015	760879.03	783695.4186	1181349.926	2588343.663	1511585.106	732111.5305	973002.1022	436572.84	1380712.863	1184117.435	1714145.996	988948.8267	574228.4884	1372970.613	1532517.617	763814.7311	1167646.497	1530526.104	817292.77	336828.4111	482611.8634	813116.5425	1982219.615	892290.9851	776742.1123	1398132.926	1425146.795	893990.4531	1140100.248	1524411.356	1425737.862	1654902.028	730124.2452	392323.6145	675247.7925	1318786.477	1130380.113	1271030.988	598343.4531	1201072.793	1195301.155	699452.1674	578744.8009	1086507.363	1236415.21	635952.2462	935010.9692	368830.644	362209.8103	555518.0509	631581.2289	354657.3561	216794.6134	585471.9046	463040.104	406477.4452	337444.6759	423213.6122	800932.7925	433577.6134	662487.3561	547051.1061	377254.1771	909725.9884	372577.7925	516161.6134	502159.2311	460561.192	364241.5425	527732.0279	435161.6674	758306.3633	518765.9029	527892.3806	658352.4926	527680.5267	720040.8634	329057.2384	750006.5246	676747.7372	496980.2925	670296.4872	614646.6212	330255.2925	792947.0509	516742.083	468349.1437	593416.6377	545229.3817	541969.2377	521398.6061	793072.644	611214.208	437406.3622	356581.2936	322568.2154	324515.6686	1278649.362	272925.9259	1614414.34	464546.6134	516094.4211	310459.8195	450169.0425	1123481.542	445447.4782	553636.1145	421774.1437	485861.7074	532239.7373	586926.8584	436389.3352	503050.8735	394867.7548	494223.52	476333.77	306719.2721	460675.4884	1525052.669	826828.7694	602263.119	783452.9574	631001.5425	404070.0364	626573.8561	990742.7925	857850.7699	2385527.58	475653.88	764636.4694	1779292.893	1328670.893	435466.5267	957762.77	533877.3908	555975.2925	631995.4767	697142.16	386186.5853	739444.8561	1476229.617	957586.1867	416718.6344	642307.6517	560268.2621	853123.4209	491908.1669	943463.6461	923283.77	586431.1908	1427434.042	448373.4872	420245.2176	841736.1569	528420.1759	1750794.669	1920579.056	1356684.257	459337.2699	695275.6896	1380622.793	772367.104	1341156.994	637538.2948	833432.8076	352699.0425	555334.0425	591734.4188	477731.2768	360355.8324	500337.6055	747443.9437	497094.7451	425243.1698	1141633.697	793985.2344	885713.9011	1147594.96	705721.8544	455849.8555	764456.0436	657356.8561	1774049.11	2438025.412	835479.52	1625738.731	675437.8536	1332529.042
C641	Isovanillin	152.0473	C8H8O3	Phenolic acids	Phenolic acids	621-59-0	3	57553.604	100199.936	94279.60533	233167.104	74593.467	50540.42667	54997.892	90452.56375	52583.936	124505.976	113000.9293	121900.928	64498.77067	33527.944	33741.604	151656.4293	63495.936	90249.6	45601.596	56561.43733	24862.2155	116945.928	212798.988	133972.9387	123674.889	123015.936	94137.09333	59690.9685	36724.272	84665.976	131959.1952	47129.8905	77331.93067	130003.6053	87333.272	84327.936	154629.9293	198474.6053	75701.976	59457.92667	141887.7707	83349.93733	79979.9952	78925.0868	79381.27067	103071.928	89212.92933	97158.59733	96905.2868	109036.2627	183342.928	113909.3892	98922.8892	191935.1952	58000.3976	116091.4373	73687.29867	108172.272	86239.42933	130998.8988	119067.9373	102098.096	105195.272	92847.2325	102387.964	124028.7707	106075.6072	60987.5952	65490.93733	145880.9387	69459.604	67418.59733	65783.1405	26506.389	75336.596	71568.93875	117083.604	71395.932	122317.03	86924.988	71695.96533	106962.1375	46136.389	86239.42933	109404.945	98446.95467	91271.936	221564.53	157762.4373	86326.43733	96924.6892	104980.4964	149825.104	176240.9653	138771.2627	122064.9387	139857.9868	87333.272	159205.97	214040.464	162750.6053	144379.632	94596.29867	88922.988	98903.0868	130481.976	70004.9988	84327.936	69692.964	251764.2627	89702.5815	99591.3	85334.27067	83657.96667	94168.76267	89302.93733	107053.9293	113532.9667	168676.2707	109971.9253	86399.8905	209902.1975	52958.988	56006.3988	140895.604	58994.2964	74332.928	90993.7976	51539.928	38838.96533	66416.096	68398.42933	33747.272	34692.928	42360.91	118947.9293	145684.928	154785.9373	75425.272	140753.596	120060.104	56663.964	83251.928	54522.096	57647.4375	35725.93733	97125.928	84370.44	59105.91	137780.096	86340.93867	140406.7245	66494.272	72095.4	126013.104	122975.0964	193512.9387	108902.988	112009.7627	113000.9293	59945.9868	69710.1405	139257.4463	105071.596	166844.988	70990.6964	101981.3964	62993.0964	64487.936	82703.63733	128881.264	92170.928	50527.386	133985.1976	85334.27067	117976.5964	86985.8964	167860.7892	45998.1964	127005.2707	168859.8892	185010.1962	85994.7976	123036.604	75996.7976	156949.1952	71717.976	113347.024	106062.7627	96151.096	156142.467	100981.6964	126771.8562	92155.42667	155778.104	176976.5976	98461.467	79394.60533	146850.2868	166312.1333	119959.264	86933.86625	95159.92933	86340.93867	145851.3868	130012	146864.988	159851.988	115079.936	76404.77067	98403.56375	55165.91	236700.945	88865.35875	43663.27067
C642	Koaburaside	332.1107	C14H20O9	Phenolic acids	Phenolic acids	41653-73-0	1	378920.108	224332.2044	359401.4576	277503.065	319623.1886	198094.779	241743.9674	286007.8343	279338.8325	489284.6867	131370.723	249697.5952	367001.6783	683121.175	530641.832	206505.4658	433816.9436	223610.4821	130447.312	559185.0437	411928.9405	194252.9332	395179.6073	260594.1794	173326.462	467278.5285	303243.7729	397371.3346	214413.405	280338.8	431879.7168	118724.996	307208.0922	88230.46071	277370.4696	401692.8716	353967.8606	655688.6834	504046.2387	339048.942	236210.7	183619.8	494206.17	438509.195	329691.6443	382350.9104	441365.3634	604047.31	351478.7648	396895.3294	351947.43	168990.484	349810.5554	300231.96	284992.8343	258689.2704	236871.3493	295135.8144	234907.4322	268037.8782	715062.2952	108050.7916	455476.8936	352923.2349	737143.5456	108913.816	386281.5432	305537.4	170724.7848	538105.6296	349796.4624	380141.9886	284345.544	252677.048	441001.7304	417897.9104	309062.4863	523264.452	219429.8736	343230.4408	364356.3538	556106.0184	1023031.608	539446.7232	603947.0004	219013.8804	353123.832	263946.944	394031.5264	273170.2033	166620.6324	146200.0176	184478.1913	317071.9944	191116.8766	115278.992	259461.4665	223231.5552	318413.088	739975.0116	257036.3124	319427.3536	242767.6776	641649.3552	533873.9467	882920.665	531667.7856	965132.5347	289588.9242	151343.3376	346632.6673	267856.33	298631.792	460793.7072	297824.815	353750.333	258595.1592	202530.9048	398698.3728	268090.9592	273884.4192	285282.6354	930533.8944	437393.3856	559238.733	321900.1296	108297.5292	303721.3384	171063.4716	265675.9328	485185.5295	190151.8688	317689.5864	172488.624	260544.7368	162293.3143	456691.144	68685.7184	461748.5862	594168.8928	336666.208	551687.9144	351507.105	873968.0451	546202.2	687277.9368	227250.961	144591.3	154976.2131	340705.7248	409637.408	308606.8957	430230.9848	785548.401	685441.332	577047.2321	495180.8144	409637.408	639526.6548	1097835.823	233143.3416	568716.6906	786901.302	538151.4533	295048.0821	285752.3626	509842.9504	471868.1088	321245.7122	338262.0648	249318.912	516306.6348	306878.4936	364403.705	120786.2606	124698.1837	234966.6828	245913.0098	364312.7064	470584.692	473699.2088	450204.7202	289914.2064	279213.0642	270275.5911	635962.0392	373164.246	477442.6224	302220.044	235030.6853	294956.393	146026.026	514619.1604	331948.5067	337042.296	117078.9943	169810.06	364343.7996	252796.788	222901.5	608953.278	271829.7036	519127.6336	320668.2231	450133.4664	478080.7472	279303.3965	247188.264	223797.3588	543965.5602	597752.8305	527005.8244	628915.357	333272.3229	207954.5162
C643	Maleoyl-caffeoylquinic acid	452.0955	C20H20O12	Phenolic acids	Phenolic acids	-	2	439044.7944	410932.9328	189409.1428	443630.3132	263022.3884	474166.5746	240995.0451	296728.9564	250031.9451	301941.1234	352616.8136	287814.3273	317527.0829	228831.8396	41465.1825	251681.5407	166478.1445	156314.9	55633.952	383946.698	466202.4968	276501.9514	122760.944	NA	304675.4879	464914.1406	120483.6675	279754.912	210178.5211	261924.5385	375979.9719	146546.4175	308869.1213	293605.7118	243798.39	403722.2798	252304.7858	217549.9333	326848.6828	347252.3652	357039.6161	132507.4075	495301.8841	424700.5289	465003.0289	291662.2858	265665.0478	281762.368	163107.4425	143431.5537	261401.92	225552.9193	260322.4167	278620.3846	241701.3785	225468.5736	288994.7349	269144.4836	110240.7856	522060.634	254231.0379	322094.69	253045.7582	245676.5291	250358.3714	300371.1455	306283.1152	417044.7444	414729.5966	299834.5947	292543.1921	374597.2325	270364.2766	112703.92	271612.8845	247341.1767	242063.6887	270658.6857	100745.9507	353398.9998	250646.1455	234639.6093	277597.7518	247696.3484	NA	259460.881	242244.2379	269119.9825	266006.7987	238610.9631	254669.2003	210420.4162	255229.9379	257137.4371	247743.0764	295626.1857	265690.2807	262669.0857	261801.3912	275542.4238	260355.182	274625.9846	204889.1989	255812.4218	288615.1332	253731.5879	247313.0571	352833.2652	281282.0464	205661.8054	301956.1911	225445.9725	264685.8262	273955.1324	248524.0372	235138.6131	229911.6714	240009.6558	247840.0203	212956.4171	256696.6465	275027.0368	254328.6735	277150.2357	226372.2389	271735.7013	343050.0749	233025.4711	150712.1908	249940.1356	274705.5069	251184.0357	249909.7736	261350.5606	236827.3142	266752.0607	237749.1879	226788.3272	254456.5972	241317.272	227181.0735	253397.6235	255969.2988	220480.5736	256299.117	227661.3856	241561.5069	155572.6575	296674.92	272696.7796	254764.5743	144686.9868	229915.1533	406865.0017	421520.264	184762.916	271993.0953	69073.004	266774.1867	283175.1693	274228.1444	278051.7987	308414.5993	292996.0611	263452.5548	319588.5866	243322.7079	45852.864	312927.1647	241036.7535	383030.9925	227525.6452	269095.4815	282673.1235	89842.6564	229157.2996	237202.2357	217357.1782	NA	244938.13	211447.45	305859.8739	100429.6212	266433.1192	NA	277532.2417	409367.7922	248592.0524	210580.7539	279214.05	254541.1339	329371.7995	293108.0488	310606.6857	253445.2907	252033.9384	219067.3808	207337.92	277467.2233	430036.2478	415139.499	264812.0138	394873.5309	283268.2353	239854.1472	288883.8286	NA	280409.9956	230107.3967	405138.855	276463.7687	302440.0214	435968.567	121086.054	229092.0067
C644	Methyl 3-(3-hydroxy-4-methoxyphenyl)propanoate	210.0892	C11H14O4	Phenolic acids	Phenolic acids	129150-61-4	3	8555.70125	18399.06875	20359.378	35221.158	27778.3344	10531.948	6717.686	10584.61125	6512.604	19735.26133	5233.9225	10562.612	13893.1344	11972.66	1305.4045	11819.4744	24261.366	5925.948	10557.976	3257.6545	7896.9465	22291.4648	47254.2744	7226.752	7814.604	12637.66	13895.469	6583.948	NA	8647.66	20434.272	12526.272	7899.948	22336.0675	22365.928	NA	17864.469	15135.42933	13224.39125	11188.42933	41348.4744	5251.866	13115.8648	7930.37775	8559.264	11061.102	16526.64171	9245.28	11426.688	4626.5176	11847.948	7241.429333	3952.32625	15821.272	2635.948	7218.366	3947.0675	6581.928	9312.985333	27626.82625	25937.66	12523.104	10494.2648	20392.95125	4657.66	8557.096	9889.353	22603.984	3966.7176	17727.9756	NA	18387.252	13821.948	4652.495375	13819.76267	14523.5176	15135.42933	33740.469	26463.969	27626.82625	34203.07625	16417.752	21055.92933	24943.4744	24943.4744	10587.969	32405.2175	22178.688	28448.469	25599.6744	33545.45125	13895.469	9200.628	42695.3175	32906.186	45732.69	25790.48625	12499.075	14477.596	55186.48533	10530.596	35582.27067	24803.2715	28597.66	74340.42933	29001.272	8557.948	30421.4675	7317.66	21282.66	15821.272	17766.76267	18384.2756	15143.6995	25712.77333	17762.45125	14444.2744	7941.969	25272.66	21219.978	21713.76267	33078.969	6633.978	9264.969	48684.92933	20394.1965	11212.6092	15759.0756	19693.8744	11163.2744	15879.969	11274.978	2653.141714	9196.0756	17738.8175	20474.99086	30257.928	6055.19	11307.66	65637.8756	30197.6756	22988.58667	12484.8175	3285.366	9196.0756	7218.366	23631.0744	20401.948	3327.66	48122.2092	26928.19125	NA	7941.969	15853.99086	12505.948	13916.475	28898.58667	19048.58667	11168.58667	18423.5775	6562.866	33066.4675	22946.8648	39547.908	32747.8576	13105.8588	28194.366	18420.07625	7937.426286	6555.29875	35046.23625	15167.2092	1992.978	5913.752	21804.426	13840.77067	23609.4672	32127.366	15181.44533	78029.5344	21282.66	28224.4744	17742.19375	5938.353	3290.13	75390.366	5907.366	18462.7092	16526.64171	11796.0588	14457.81875	2634.9465	11426.688	5861.604	17074.252	25880.481	13214.84914	30211.31625	11907.7332	11165.752	7230.8175	3945.6756	6652.66	7163.604	9873.948	13229.9332	13126.56	14503.272	8066.688	3992.66	16417.752	4559.604	3971.4675	27683.272	9926.469
C645	Methyl 4-hydroxybenzoate	152.0473	C8H8O3	Phenolic acids	Phenolic acids	99-76-3	3	38881.79612	71169.1068	87007.97371	222690.4836	63607.95	48260.932	55951.992	157952.7	59069.26125	58646.17112	85373.06925	97279.1625	72721.898	40213.90229	33619.544	106428.932	55834.3752	75722.912	37567.73475	53344.0004	29087.5308	113654.5752	161505.7752	123240.6975	96012.8004	86055.66375	63975.12229	31074.932	30258.80686	78005.932	130953.8764	43504.544	103108.3308	67644.19425	60686.8016	69845.98362	75107.7752	177289.938	61612.79775	25990.4125	104104.2336	39508.534	67887.544	60635.4125	95869.94312	79075.9068	39043.29943	105200.4423	72449.3752	58677.6004	88665.37333	67002.3105	40676.7004	105542.8875	31347.6016	79498.68	56229.35467	39692.71467	63142.04	61967.9125	109271.6625	51838.974	77480.17875	62687.2016	80725.38133	62645.91375	57828.1752	26872.04	34676.4004	96012.8004	57344.2004	78667.1676	65344.6004	17442.95625	115267.9125	69962.9125	79298.688	69126.3752	59157.3752	56686.0016	87907.6308	65457.08663	51974.1625	75344.048	61344.4004	72438.474	59969.1625	84320.35333	77777.8764	74700.8028	85286.6625	63592.02133	87259.932	111784.0213	85856.155	81089.1752	85307.04	60545.38133	83345.5004	123883.992	114601.6625	100804.3056	160134.02	101552.88	74678.4004	123262.9125	69344.8004	119786.1867	75973.41375	223200.4125	91058.1752	71308.048	104902.3063	68501.058	184063.5305	163838.062	105274.1625	118971.3752	113269.1625	94259.1375	77306.16375	161984.0213	55834.3752	63154.4764	119347.3004	50010.5004	89696.02133	77406.084	71109.474	62130.68	103020.9752	87735.1752	45581.6424	41314.1625	77902.058	59780.4592	67875.98475	131044.032	50303.58125	180997.5493	89904.4908	52110.68	85741.3752	41546.7	47357.9028	50525.1764	88093.8476	119067.7257	90406.07125	139573.9752	77913.6592	86418.9764	42692.44425	73023.07375	93165.8424	103101.9443	85896.1896	110388.7817	91612.3656	90636.084	67215.7068	98860.544	94906.544	91249.992	136159.912	51644.83125	79747.974	41877.7752	48925.898	123199.4908	111657.5162	108256.4184	36566.4764	103137.6491	69480.016	89728.9752	73005.38625	183167.1362	46644.1625	177311.728	129192.5908	121938.7594	65803.3752	104425.1329	46925.1435	96654.78987	55186.3776	106733.5056	81784.6436	57691.2075	93243.69312	108569.6649	84287.01125	71120.1752	73389.83663	180493.992	62901.916	57524.33662	101569.3656	94032.0592	89064.3752	60158.932	70422.33125	74095.938	73288.7676	81517.93125	97187.0424	120633.6891	74332.63625	79037.1975	72721.898	48111.68125	153676.6954	59108.06925	44147.5056
C646	Methyl salicylate-2-O-glucoside	314.1002	C14H18O8	Phenolic acids	Phenolic acids	10019-60-0	3	19992.14357	31641.606	27555.61343	104456.2447	33544.548	26957.008	24501.906	15504.47229	14215.08729	22800.48657	22923.00343	23727.73527	21940.25	21704.39743	23926.152	16467.69943	31310.661	26197.91625	12283.28229	27309.60214	18434.25257	48491.60114	43354.43086	20893.733	19922.357	40529.29514	26909.654	22226.175	24753.42257	32481.40143	13753.22629	19600.7175	27260.565	19252.45029	12110.74264	16437.629	80463.122	31065.44814	28223.08714	31448.5744	24804.43186	22019.43286	30001.92557	25551.01343	16099.74163	16447.90057	45415.956	14383.71814	22591.426	20797.496	24274.11429	11957.4	25477.72283	31245.29543	5232.632	23461.17	23499.93714	32067.89814	20604.826	17964.84943	143780.9261	17941.35171	15475.623	20546.40614	32069.80757	18445.76333	35303.2125	14964.75	14431.404	27062.56114	25056.73633	13532.3804	17750.216	18255.668	36577.96843	21547.90143	30764.592	23998.132	24759.893	22549.39671	26147.797	12793.19029	35575.51843	36572.49514	16724.9496	29644.29429	22517.856	22347.3516	22428.87714	21043.52714	49427.1328	21703.1486	23785.128	45628.16429	22452.2214	32021.154	26410.25457	25203.402	35082.84918	26186.3712	21804.56	36223.0505	15214.9536	30018.069	26764.25143	44591.84014	36576.059	14754.68614	29764.74514	57519.839	29925.2448	13758.461	14217.984	23270.33114	10948.69786	24550.62257	52614.53829	32676.875	162298.3063	15963.8688	14249.05114	25839.724	10672.804	30283.352	46802.4064	18975.673	19056.144	23262.98567	26691.868	11850.72814	13568.56771	19873.867	34153.45	16287.42571	17158.87886	26779.34343	20421.531	24172.29029	15809.82214	23512.128	18194.73814	17203.55	15497.4528	23382.68786	26821.917	36247.92043	19335.7558	20902.34443	10682.21067	32253.8415	32916.69567	17508.516	25349.296	26038.5875	46960.256	19135.036	21479.23971	40687.44129	36309.2702	11467.8	25666.91571	19685.452	29172.23614	19700.262	42952.76914	18482.37186	15203.58814	26752.21714	32532.5	39087.7136	20663.85733	39535.07143	13502.7	12914.6838	26364.0048	23444.4672	17396.60629	32643.417	12721.104	24117.74171	22170.07886	37628.64233	16752.87371	31420.6956	16715.3504	27162.3584	21693.66171	11160.37133	40463.258	20232.494	16826.1516	24325.02629	15657.22971	16448.47629	22992.8408	20544.28629	17456.02457	9763.108571	29643.88267	31962.85033	32256.12	28850.0842	48784.6008	22701.54686	18484.19486	28694.016	28794.8934	18211.5948	13358.5272	17392.716	17451.72529	17385.368	21610.43182	33275.424	13504.725
C647	Methyl sinapate	238.0841	C12H14O5	Phenolic acids	Phenolic acids	20733-94-2	3	5142.148333	5402.743286	6161.4575	6556.904667	7179.603333	NA	4444.0245	NA	7930.59775	7523.792	3134.734167	6707.458333	9476.710077	4437.491143	NA	5054.8145	3408.172	5251.664	5259.759375	4922.400333	NA	4056.429125	8491.440833	5098.2425	6715.251	8221.885714	6358.133833	5724.572727	NA	8077.08	7522.841667	12994.94875	5809.183333	NA	NA	7412.205583	8388.759667	5752.44	5965.602	5259.708	8257.05725	2539.9584	7277.67875	6533.003769	3357.243	4451.338125	NA	4210.11	5825.486875	5481.30575	5176.97225	2856.5086	NA	3965.35825	3309.611429	4345.101833	3643.75375	4379.29975	5227.267667	6162.29625	4312.633667	4208.644375	9110.291143	5072.937	9157.781	5178.5825	6322.393875	5285.9045	4829.2325	NA	4115.531429	6931.169	6985.8385	NA	7113.60325	9102.8825	3360.16475	6460.68425	5323.84	6787.502	9401.276333	5596.135125	5823.813125	6438.17925	6149.439	6148.520625	5501.601	18236.4585	12197.46417	4518.430714	9380.531875	NA	9137.00125	5581.953	9542.8125	5724.868571	5413.2045	8085.42	5178.5825	12034.98	3189.903667	5143.663	6421.42	6647.9325	18467.36113	7601.335625	5966.811429	8492.6075	8976.32125	6682.528417	7359.595833	12835.158	9137.00125	6788.0445	6309.200625	8247.403125	6815.8832	8328.43625	6147.68375	4634.442909	6707.458333	9701.2795	5160.057143	6787.9895	11239.236	7605.82975	5379.894583	6289.68	5563.891667	7818.091429	7602.1725	10556.07786	6036.682333	7212.777	6053.629167	12661.52727	20259.94125	13560.24545	14313.39055	11776.38525	7912.749667	8511.531	15037.225	NA	11194.53418	6290.092308	13076.9865	19710.4	7927.827273	11687.725	8414.69	8257.870833	14210.56273	5085.65225	6805.558167	5316.491909	9264.63	9248.2035	19119.4085	NA	10046.7275	13906.5	7285.566667	7556.9355	7135.626167	12269.72846	16015.122	9411.546667	4589.836667	6141.078462	8481.381	6546.59	13090.31333	20016.64583	25262.71875	16668.041	16033.21125	10886.20731	10719.855	10912.76975	15376.60964	6223.990583	22164.528	14164.66842	10111.5	13567.16667	12760.55058	16427.628	6055.0715	16959.12242	26783.15455	4834.09575	11443.27917	8094.625	7855.941818	7748.234667	9320.382	8772.574	14628.092	13403.075	5349.63	7213.013625	10391.02625	10539.72409	8013.425	7024.026385	6820.30925	6385.778083	8175.0195	4499.509091	8015.060417	7193.661429	5563.891667	6378.6465	NA
C648	Neochlorogenic acid (5-O-Caffeoylquinic acid)*	354.0951	C16H18O9	Phenolic acids	Phenolic acids	906-33-2	1	8205676.484	8259254.35	10050346.78	9110230.687	6236658.549	5345333.842	7198240.619	8606289.758	8215514.014	6782018.341	6429113.953	9273962.621	5742142.036	6452180.045	3199952.246	9708187.567	6001162.421	4743255.032	4710840.235	5950798.178	4390750.278	13072214.22	7046333.092	7503326.059	5643175.577	6797489.683	6068000.176	5990704.969	6180805.627	10517680.66	5644757.929	5673445.457	9559172.134	10524775.39	6537490.754	4236862.582	10624377.76	6240415.158	8033814.737	5306785.724	8457551.998	3855606.019	4954481.18	5331887.465	5824883.886	7624804.096	8113285.018	6949241.664	4269333.139	6818033.857	8718079.481	4461322.142	5415737.129	4312474.813	4550293.166	5544316.983	4580997.354	5857078.119	5355098.904	5489027.421	6262550.608	7216180.716	4678729.48	7205713.692	4789858.235	7424023.189	7238477.972	4619763.467	4898936.236	7742449.926	5221321.956	5585318.475	8074159.521	4825011.677	10316140.88	6136030.765	6081161.356	6417836.606	6816395.888	7732504.878	8575435.256	8266434.503	8151874.064	7915500.116	6674349.131	9184694.71	7525541.925	6899902.191	6846397.452	7627841.593	7954690.347	7514561.879	8989044.603	10580810.12	9620336.976	7329134.681	7411345.282	6384413.831	7410485.489	6604941.644	9347346.842	7550124.318	5553093.87	6898784.512	8953085.944	7884185.007	5141498.124	6918800.668	8605200.682	13534854.31	7248553.191	5589355.715	7216349.274	11334841.18	5731071.889	7404195.416	9020105.859	16999097.89	7497203.878	7168728.207	6580553.922	13523088.81	7478837.22	7367018.356	10260865.86	9011660.258	3646605.317	5338455.233	7305381.146	8229486.672	8810754.093	7914243.745	10976287.78	8180230.752	7310926.569	8605958.263	8172331.536	13151500.42	9047558.629	8741040.251	6331226.233	7497286.716	8959736.616	6991495.533	8200728.425	4511930.433	7768858.075	11234561.18	6419547.542	10243011.42	6959868.497	7565490.696	6906095.591	6216603.284	4323590.396	10854742.58	3767069.233	6060631.313	4937341.716	7071251.517	5616926.25	7567281.824	8622817.272	4611823.425	7093590.731	6842496.598	7296047.743	5053068.781	7481607.215	6417405.065	6266656.328	8696043.991	6509008.894	8428141.22	5000515	8248344.209	6607416.443	13007545.64	4940524.53	8799953.923	8212590.396	10710962.24	4012946.897	8206363.846	5720391.85	8076194.126	6025030.938	7666440.595	9750746.351	6610849.18	12656955.37	6299581.789	6172142.53	8303701.869	4784081.992	5654420.288	7117947.694	8013785.007	7467195.425	6573906.155	6283956.718	5211495.692	5917721.457	9339748.902	4559084.132	7698872.541	8531506.521	5836347.295	5127678.189	6579763.29	5761519.705	6226157.234	5778916.006	7324766.11	5062780.178
C649	p-Coumaric acid	164.0474	C9H8O3	Phenolic acids	Phenolic acids	501-98-4	3	23023.7775	21977.5275	36616.276	39887.297	24177.204	13718.0785	6227.292	35527.28229	25240.206	40170.6564	14751.8195	33486.46125	NA	25332.3315	NA	37994.44133	23595.1035	NA	24001.17867	15611.662	24422.238	34697.5575	17945.5815	27698.35467	17733.0065	23695.4564	45102.3832	11570.706	5237.5275	32250.4	16742.276	31549.206	32181.1524	34251.30133	16746.2775	30599.168	21101.3285	29130.4	12558.276	NA	32370.3256	NA	29373.3832	17937.77067	NA	18708.234	13724.5815	34540.83875	NA	38717.08625	26087.512	25326.33	13723.44	17801.70667	9370.4	26016.6525	NA	30340.276	7417.236	34457.9256	18834.276	17673.4855	26784.5564	10536.318	10501.297	35570.276	13718.0785	13405.9345	20926.276	38708.276	22670.1588	NA	30275.56125	NA	20051.33	33218.8524	NA	32519.1832	14725.206	19000.8315	46397.72312	13621.69	21171.3495	32519.1832	NA	42645.27375	29581.3375	16836.208	20926.276	20604.3552	164588.44	12558.276	31408.37333	10524.208	33768.44	37694.37467	24130.3832	21972.276	18940.208	49075.8268	29294.276	22976.1256	32387.856	20051.33	9252.717333	39763.7775	NA	NA	30551.15625	33215.6512	7366.809	NA	17757.1256	16806.3	12666.33	17690.4	21914.84533	14692.9875	17788.276	22166.5815	NA	14702.7985	13680.208	11570.706	23018.276	25985.88388	20980.5808	6313.206	NA	10433.7565	NA	NA	24070.0275	14776.33	14552.234	24277.0815	32603.4675	16746.2775	NA	69652.8315	NA	NA	14830.236	5259.204	11592.0695	11515.0275	NA	17645.8	8472.234	24271.33	21540.5025	23018.276	13530.662	21011.73467	35872.772	23108.1976	32449.872	11592.0695	17907.318	NA	16948.236	7354.5485	13530.662	NA	17575.5825	32965.9576	15700.0275	NA	14740.27125	14157.41867	12622.206	19000.8315	31103.292	19578.5576	14650.276	38851.4964	19891.872	39767.9625	17641.94571	8416.206	NA	28160.5065	NA	27202.276	32367.2244	8376.2775	25124.372	35889.776	28515.8075	18960.318	11570.706	24019.9256	9467.706	17879.706	NA	23695.4564	22075.204	23137.206	55577.7808	13894.774	16854.318	9044.2755	NA	16746.2775	25000.57517	21638.1576	26387.5815	22161.33	16882.3285	10409.162	24361.236	15831.33	11570.706	28027.6512	NA
C650	p-Coumaric acid methyl ester	178.063	C10H10O3	Phenolic acids	Phenolic acids	3943-97-3	3	13766.28575	12381.856	24196.095	20609.9675	13227.07375	NA	6306.421333	6360.732	18488.12123	15696.018	NA	32194.7705	6759.6768	10065.813	NA	23234.0605	6993.902889	11265.3275	NA	9822.48925	NA	37224.603	36400.771	18118.69367	9571.812	8104.973333	19575.232	9431.201167	11290.23525	46507.78	NA	8858.94	14191.86125	12897.70731	18844.84462	9915.831	17454.45814	23331.72225	NA	NA	32722.32233	4242.294	11614.75808	11827.78154	7135.1325	10276.275	9299.440375	8420.4545	NA	10364.64625	14598.452	13266.57715	8601.958125	12010.70931	NA	18837.03525	6219.633	8025.3905	NA	9142.769625	8986.716	9244.092643	NA	14824.3875	11368.35538	9235.99125	13033.39067	NA	NA	24187.47231	7321.845375	6681.789	10950.30354	NA	8878.443	8787.689625	13475.00323	13084.481	10597.686	19990.32389	17367.134	20636.38	15569.268	14193.55108	13174.76087	23958.447	24825.47167	10546.67167	17552.344	19581.10789	83191.37475	9993.455769	22312.86975	15062.99675	18111.80862	17687.5905	15896.27237	16759.49433	30948.86967	46506.05662	27814.99475	26890.33233	70250.48067	29662.002	40338.20862	36563.92833	17685.36867	16584.77333	19801.09689	50010.747	17335.374	21599.297	27615.826	35522.01738	9609.324	24158.2125	28430.39723	33532.07813	18837.03525	20972.876	26160.2	51507.372	32903.53	17038.947	24554.724	22257.14867	7461.787	10289.481	11257.28175	9611.2515	13592.38138	8420.4545	15049.917	10534.22785	23470.564	16367.66767	27315.49108	64939.29867	26200.06425	102389.7969	11006.31323	7786.593667	19079.06862	10534.22785	10523.839	9022.563846	13357.99662	17899.43833	6581.785	47321.54054	15761.505	23716.70538	10273.25385	24129.88967	20577.30523	29900.59875	21291.79985	12551.78475	9207.99	10916.27875	NA	11492.87389	34956.292	13051.37885	39445.67433	23090.76923	22865.67	12356.98962	11001.02357	19597.735	15932.59069	15549.78067	10528.67846	12192.69585	20798.85577	25245.90138	18396.11492	56444.18	11920.136	36356.64267	49732.58446	19425.76	8803.740615	29635.71923	20618.51754	25655.384	11184.05077	16373.19923	26153.64831	12635.49108	20145.40583	5879.0745	16733.37038	35474.11277	21917.93738	23687.06667	19127.19185	46357.3145	73503.55177	39388.61108	24206.03917	22081.035	22682.01346	31442.07692	33371.67569	42958.39154	56080.635	35474.11277	41978.36133	28972.74933	52257.71	22773.43292	9607.3445	38239.95408	11367.21923
C651	p-Coumaric acid-4-O-glucoside	326.0996	C15H18O8	Phenolic acids	Phenolic acids	117405-48-8	3	134137.1078	79128.8025	39606.5065	93303.84764	112243.9633	133102.8664	100612.9596	68076.68	54474.1036	70981.5075	61993.73855	59471.73	80958.91333	21716.961	26429.228	76034.99637	67351.0233	31350.72	98557.0332	41495.74333	28491.596	76541.2244	157976.7386	136898.3498	96909.18	100263.207	100976.8039	36666.16425	91345.9755	32813.80667	45545.20429	56109.18	23624.956	52711.9	88072.21	50233.23431	64397.112	71207.94889	67122.15913	51310.26	62815.0332	26987.18	58959.81571	62304.4332	41124.112	48963.17887	41334.29813	40765.2384	42618.946	87628.74778	67057.0596	33871.92778	22860.15556	73959.18	37343.4508	58862.5085	55987.95817	71927.99363	30834.11067	66453.19125	76509.18	80844.00111	73019.62763	73458.18113	51913.19467	55364.5455	53905.28	56299.67889	47194.19467	83191.25829	63400.97143	52101.02857	83273.57867	81681.32	68121.02	31446.82125	108625.8664	92629.95817	52115.09556	57646.24363	54585.86863	79856.23667	43279.47562	35605.17	107122.3061	38764.42887	41834.30613	45300.70817	43888.4244	62122.41425	147002.0767	37488.00017	49380.126	51918.112	70380.55388	98772.62333	74243.05778	54460.12138	151030.9612	79569.18	76492.4384	98472.6825	43863.80388	49903.41425	69390.09319	111838.512	45315.72563	31502.604	33217.2384	48453.24137	59051.126	93448.443	64771.24138	85024.04383	64261.30387	85029.91	112727.6085	54264.756	116771.5756	61083.25467	94382.30725	65666.09	60349.61314	53741.06778	61444.54333	66521.76556	44013.56667	139110.82	104559.18	49497.37088	170349.18	110155.6789	83373.51837	34420.95429	95148.207	44504.26837	33763.6508	56811.40111	30377.08633	91061.50667	158071.4325	69065.4425	46278.61333	81859.20813	81258.8256	47733.7584	94903.20333	49695.8	37894.144	48112.12333	71960.50088	81139.54171	46339.6472	80888.68222	63980.0085	64779.18	69423.09667	25008.256	54009.45222	87003.01222	30447.99875	62255.6244	97226.9	138207.9975	103381.5712	46347.76582	79335.79111	60006.61333	43520.79333	74304.90975	58340.23333	49511.55925	84355.09929	74113.26163	110556.1167	80079.18	50308.69309	56402.74069	76377.91425	83837.56333	98695.20776	60544.26	79869.048	114136.68	70276.03556	21615.26267	54579.18	44882.98222	55274.797	89140.7205	63463.79	75590.94237	40299.18	46065.23444	42883.98562	48134.144	54128.81513	18950.144	32548.797	67140.12017	89758.17887	97545.3843	61767.26333	49467.87125	75555.98667	61222.56556	67613.78619	60460.47636	80853.56667	90298.26	128891.4559	60934.562	129110.5985	170328.3039	52876.0596
C652	Phenylpropionic acid-O-¦Â-D-glucopyranoside	326.1002	C15H18O8	Phenolic acids	Phenolic acids	-	3	86467.336	67569.92556	28807.2565	95775.02	70542.46333	115646.9	64681.9596	21144.228	28509.09	53787.74333	36854.23444	57170.7789	87619.24667	82279.25538	34397.2596	54474.1036	57316.9	25185.38667	72225.74333	29715.91	36681.5015	130360.7547	155901.8552	78828.4596	54477.7475	65992.4844	60521.67	25541.2332	53746.90222	27688.25111	33333.98962	53977.9975	13301.45483	41504.5904	69265.26	32329.26	59875.23333	57985.50444	46489.67257	38769.18	32366.85375	16888.707	37666.95817	52891.47564	60691.74137	31136.4755	50471.13675	20947.8843	55089.18	74084.4887	40638.23	37822.9488	26414.6	62739.18	31122.99363	30135.836	33288.192	47955.05613	49647.29	63256.93112	88078.54383	52154.8875	48127.79333	37243.74363	105205.1343	49771.26	36745.6244	35194.86637	42339.18	71830.26	57646.24363	29105.54222	51922.51222	71251.65975	39716.03812	29121.1354	85491.12367	64589.67	56758.09556	50128.4508	64787.11863	53101.189	37078.943	38956.66713	60528.28222	38786.4244	43364.49363	26015.99137	31625.30387	64857.4332	111150.41	35872.7248	41563.26	78896.35238	68850.74138	66675.20817	49983.05388	43353.86637	75542.7525	24250.792	56012.91425	44525.23333	45903.55388	47228.32111	43237.39333	156492.2056	43539.68667	42333.99138	27501.91425	30201.84556	54928.17	79951.60288	55479.0415	55244.45587	20401.184	89704.258	96778.54263	55410.60357	104903.5054	41459.73444	92063.2508	39673.17	40685.72444	14648.184	38094.60967	39934.3428	62433.56667	114548.2256	89059.56889	39803.80838	158109.18	93704.192	45527.14337	34120.53925	50865.93371	24558.20587	41329.30725	39193.70817	30511.65075	39177.50667	108129.18	54823.96778	36618.16889	102833.2706	46165.25667	65137.79033	74209.95667	53281.35556	28809.84111	43506.62333	67586.90556	69398.4244	58791.24875	56318.01556	52980.89667	64786.4325	55349.59067	67291.6134	42327.14473	61711.61637	44659.02027	74933.88693	52413.8025	78099.2475	125565.8744	40679.15075	51978.96	48312.39111	37790.81512	71982.87556	55103.9975	41929.6464	50860.17	44471.63663	168388.297	75520.8244	56955.94667	39567.9975	48885.16425	79793.45588	85254.43111	44297.37717	53042.67888	101342.2356	45657.36889	45663.83086	60911.79111	41293.89183	61989.297	80432.4705	44018.34556	27173.952	37477.588	38901.12333	34496.37375	24428.908	42672.11083	15790.90333	39779.797	45405.6711	53402.67	70461.5065	34578.9837	37508.43387	31020.5337	35145.3795	30866.95222	44384.61863	51512.86637	53875.26	82411.0596	57859.96111	87472.17	120864.3664	30786.6552
C653	Protocatechuic acid-4-O-glucoside	316.0794	C13H16O9	Phenolic acids	Phenolic acids	-	1	410528.1177	1204790.088	5462102.481	598639.9762	243108.2641	1647067.137	1128723.29	315160.2667	10128388.76	433480.096	1129737.103	4213220.833	NA	224698.1375	440726.972	927636.4015	888561.6212	576463.7412	269236.1166	593808.4443	378117.5317	22609975.51	690097.2601	745540.8496	189475.2046	898265.8005	531211.1719	1506072.985	7403290.853	15253052.71	840266.21	2895525.064	6341840.431	NA	NA	531113.1416	30327635.13	513144.9829	16339046.68	3378926.434	9101729.299	519699.1661	4751424.224	5292169.505	2064822.826	322227.0081	1011064.647	303282.5985	233503.64	1535287.497	2114668.521	264358.704	398351.8437	1461083.092	637433.6329	2890124.539	3227507.306	1337966.961	787484.8484	4846118.386	5554648.974	4578568.805	1049626.84	11301244.59	1113562.863	NA	983606.3031	1285678.134	224220.2615	7339910.024	623877.6291	5904759.39	2919781.764	7104844.998	4117538.89	289128.7451	311276.5714	4651349.908	240750.3218	13788738.73	2465670.287	1661396.37	1208416.237	960843.7615	1256086.304	4317420.407	971963.9496	610122.2671	2911558.808	5739534.396	485039.2057	2545548.952	210939.1225	833255.478	621510.9152	989312.4806	323267.321	214261.8576	4103060.182	463650.9386	40179019.49	6194668.752	3973885.765	4611769.586	3031767.937	854592.9775	1003518.083	647094.3655	880396.713	2542490.051	449016.5909	432440.8859	1473192.564	790438.5497	465119.4621	461169.9615	2363658.861	27362057.5	729706.4582	747222.7157	1211739.906	25941819.27	15134488	285691.5392	7361871.357	8625314.284	359082.0108	NA	2431249.8	2701728.475	3758869.537	2691530.755	1831568.443	448146.512	8916425.481	1111357.923	1350673.24	1850559.864	14479570.81	3183462.957	853044.2773	9189357.452	2394865.97	1598275.452	30290146.62	446529.036	340326.784	1955948.065	297634.4631	23912505.34	2535897.892	1127436.471	2711939.384	709533.7774	2080787.975	8613888.696	6726901.976	3359204.828	NA	711461.5961	NA	499912.6987	8850856.334	786156.3358	5647725.687	977498.8811	4626806.723	754388.9169	15737930.71	1033083.459	334954.211	1524904.735	251162.7035	616040.0838	1067603.939	1313835.838	490677.4788	47919945.34	613882.6032	4756431.405	902046.1162	1712540.169	491501.3756	891047.22	1342283.718	7489760.65	543413.416	1216624.722	589511.025	869977.6719	8715928.595	671726.4641	480392.38	270777.1851	NA	270758.7077	251817.9231	2921404.266	205723.555	1219586.737	409008.494	1550268.061	548287.544	16105630.28	1449849.918	712275.2661	472477.3776	1392587.847	903847.532	8039572.871	3631140.061	12592775.22	1721364.917	1879412.829	899684.7776
C654	Salicylic acid-2-O-glucoside	300.0845	C13H16O8	Phenolic acids	Phenolic acids	10366-91-3	3	689556.0892	242873.4877	621152.4865	1239070.917	468460.3518	546262.9107	799434.5942	480476.3538	261881.1488	410245.4432	394734.7038	482474.3467	262800.084	158190.2887	174821.4585	484319.4187	661687.4081	620706.385	709479.4385	244573.576	468401.2334	1066689.611	154529.781	467362.0206	317506.0302	334292.4318	322165.9545	422828.0474	901546.2909	874312.5547	575503.942	327743.6751	594693.7253	395051.7083	382169.8922	498516.1813	639501.1255	267787.067	595402.171	554197.3989	763258.7093	297487.9569	306777.4325	249289.3049	358258.8053	294201.7975	295774.4754	263865.6155	211285.486	271027.329	910414.1867	184550.7733	341246.8532	630002.2283	243567.9437	466006.915	319971.444	496897.4395	258422.953	1030395.098	557630.427	833136.9842	389830.5239	815987.482	1003276.796	194887.4372	523508.56	391625.5292	238644.4805	520588.6613	509016.6347	797384.1645	664381.7938	424732.3535	669516.898	188391.31	449595.8799	943616.6868	579168.0068	543210.208	557631.1967	473712.5112	331219.4557	523407.4872	528926.4783	661393.2989	149176.4907	222796.6252	625079.781	483643.9097	396924.22	572506.4714	261551.5522	462533.482	702920.7071	476251.1845	372883.14	271717.9595	1155114.57	401512.15	419997.5384	627493.4055	263110.4747	827964.39	859037.3483	436085.13	425027.584	389360.0783	339792.4835	1174733.498	362091.9365	314966.5462	221988.3262	432103.788	511757.7843	190508.06	653853.3939	1323123.271	974260.864	299537.3554	472634.5977	1618835.205	759829.2724	338712.0458	926864.716	1336624.416	549965.4323	594831.991	593802.776	627905.8246	563857.2513	428326.2429	411685.3992	277404.576	1650727.586	458358.016	507014.976	367074.9092	854646.3863	778150.1291	413831.7132	401103.8857	508635.7805	483043.6067	538538.427	328059.614	363833.652	523502.8658	328405.638	671639.2623	535428.864	747125.5025	603412.2826	299370.484	259161.3521	360643.8753	526441.466	384992.6185	285033.8675	374036.6757	289466.919	775915.1907	570389.2367	522640.5928	351105.3921	384088.0604	499968.2545	564795.5183	402942.562	451565.9667	841886.5892	432183.5775	213957.3988	348955.476	852280.9458	675044.019	331286.599	1248279.717	677995.2688	1285487.405	601417.1367	1040426.915	319926.2874	1023665.861	305657.2732	1070801.754	530862.9725	284334.0383	865604.2222	444896.9482	1306268.962	543598.1895	329664.5021	372318.0532	222297.9383	215444.5577	338521.3375	450695.718	208753.0477	698007.3863	286473.1265	1284458.46	350545.2138	778857.6493	802206.1922	593839.7983	491558.076	410541.0668	697208.4385	1070822.325	579124.041	538656.3023	386497.3593	433843.6702	290010.735
C655	Salirepin	302.1002	C13H18O8	Phenolic acids	Phenolic acids	26652-12-0	3	3093.93	32003.27236	44559.65164	29575.149	NA	NA	19112.5143	14494.722	57608.93236	19941.30518	26505.2175	71598.808	14068.4592	34632.567	6149.205333	8458.859714	51832.1925	43076.1997	13537.125	13286.00727	5866.9716	184190.4	55410.2845	NA	3086.6875	13502.75733	31266.81109	NA	29807.93636	59530.698	NA	11005.44	62535.01855	18381.9216	6622.0676	6675.635909	49105.185	9802.031833	19974.504	12481.68	17370.54	NA	28577.5857	26191.66764	24237.17964	7022.7825	NA	4237.867714	10891.9464	13341.03564	5092.221429	NA	19619.398	106527.0606	13649.3329	18445.74418	14758.848	4874.036	9777.265636	60789.03564	100767.3319	NA	NA	47380.113	81415.08983	10258.82	41976.264	10129.669	NA	69379.4248	11926.72	16098.51491	26939.9676	NA	152316.045	8243.747	28501.8293	NA	10552.5	57991.815	21836.2704	19683.91917	13237.4098	10920.8001	11410.2438	25735.79086	NA	10756.02857	13999.9145	NA	12481.68	NA	NA	42018.747	14444.7402	14478.19909	NA	14118.4008	35381.6	3041.546	24360.21	19490.866	27061.91633	11156.86	26124.8232	11602.84571	29225.79771	NA	NA	24988.8331	8809.301667	6946.751429	8592.7842	16093.37127	14002.1472	17786.93571	92186.43117	341877.8356	6192.576	25108.512	95754.98	52449.50191	24598.322	NA	14511.24491	13150.71771	12446.6698	29321.06536	54316.955	9837.787273	NA	32643.51429	8206.98	NA	47240.5336	32896.91143	10037.17967	21502.23382	37344.3304	77174.4162	14975.8	13087.5084	4668.856	NA	60597.82609	6675.635909	17642.05309	20332.04891	22359.78609	26960.30543	15996.6024	24465.22	NA	NA	19564.6743	20678.17333	NA	11791.68	7866.6364	13305.29864	9726.1737	6633.9064	18738.3548	NA	10506.70833	NA	15637.70345	15137.7129	22436.13555	26239.026	NA	15042.348	NA	4652.642857	97767.5402	19713.1405	NA	308602.38	NA	21086.8658	25965.92143	31669.49636	5680.621333	49368.1461	7017.366545	12915.56	9283.68	43539.2826	36705.2409	45345.61986	23845.15891	48041.1996	4207.67	NA	7460.6034	3043.404	9439.347273	3419.68	24209.9624	18123.897	NA	15598.5571	44251.5185	30010.124	11385.00709	22347.63333	NA	17152.62	48766.29429	38669.57486	14525.014	NA	NA	24263.50791	11796.12
C656	Sinapic acid	224.0685	C11H12O5	Phenolic acids	Phenolic acids	530-59-6	1	36959.4452	46567.0536	40782.0452	90673.385	41642.748	23054.8824	25643.6908	41565.76875	47959.51875	63387.4824	66650.8896	33136.8452	45653.6148	31862.6452	14677.0536	118508.2452	30129.9908	38671.7328	19213.6824	22349.50875	19120.6452	78826.0896	72705.4524	59895.0452	26464.30088	40768.70737	37179.8908	15932.644	17163.1845	38410.24	66563.84	85888.2908	13451.8824	33893.26875	29946.644	40199.104	47204.8536	56398.0896	37382.9328	27109.48838	70227.63375	41159.716	29417.64375	14705.94667	30617.2524	63091.3625	33022.4188	43960.644	35898.0908	38954.885	64997.361	28677.1452	21239.361	54992.64375	17242.50875	63856.385	21105.76875	26891.8812	36538.9908	20603.8625	43424.385	46082.56	86842.385	37270.14	23630.885	48419.644	22455.2925	28857.1932	24526.36225	37773.5812	28035.644	49572.6125	44337.64	22129.4045	25487.644	21669.0452	20498.562	56260.3925	26990.14	60140.3385	50338.5452	21370.09	35218.6824	20438.385	34048.80533	69214.0896	44692.63375	95095.14	47426.8896	14136.472	72142.75875	34610.8896	37341.3625	30202.64	33536.492	25705.14	37881.852	37970.361	65308.0824	70459.65288	26818.13375	27685.1125	39995.16	37779.4824	52690.14	47145.644	30732.4812	42300.4896	45066.3625	115093.8938	60758.895	37270.14	30775.692	8306.885	48598.89375	40224.00875	34573.0812	10285.14	70714.644	28704.1524	43041.472	41767.64	18607.7925	23720.9908	98307.64	25705.14	30626.8548	30097.0824	14782.64	39879.9172	44863.6896	44123.26875	31514.716	51086.385	29314.2452	71504.38375	58109.885	52569.692	44541.6344	48723.692	23674.5885	32805.8172	24998.8896	22943.2452	62567.13375	24361.8908	55774.692	74259.2812	16723.1148	44899.0425	36015.716	24438.85714	62854.0425	54161.1452	33017.2176	29484.4896	50586.1525	24592.89375	42062.58237	25647.692	33997.7925	59611.3908	47426.8896	63414.84037	40604.9328	35410.96025	58056.5548	32052.6908	17782.0176	25455.6344	45192.0368	35819.674	28852.692	61092.716	49296.33362	72079.0536	54653.14286	66650.8896	45170.36225	75238.716	61719.0344	49799.63375	46152.4908	23740.10612	69375.2368	59163.716	35892.4896	39096.4896	29843.2176	47730.1356	248074.692	37460.8176	48598.89375	22435.6896	30660.38625	49349.2896	37670.50875	40878.38625	54161.1452	84335.1125	25643.6908	13451.8824	37140.9025	44222.8896	58581.46025	41888.88	24512.1055	28229.29362	50675.23112	24907.885	17923.84	31925.13375	82042.8908	19938.85714	30770.8908
C657	Sinapyl alcohol	210.0892	C11H14O4	Phenolic acids	Phenolic acids	537-33-7	3	7923.278667	7175.912	23015.13	21659.1732	25794.7344	6605.9176	6046.186	6632.95	NA	12547.1255	9881.600571	14523.5176	3301.457	5283.689143	1329.978	11265.80743	13117.866	6596.4555	15756.6744	2632.63	5945.28	30156.2648	25599.6744	NA	7898.07625	21022.5675	10587.969	1319.948	3290.3175	17819.8164	7887.5675	13840.353	7277.7175	5871.912	14444.2744	3293.594667	24261.366	18482.3176	7255.609714	6627.87125	15131.95125	1974.366	6542.616	NA	4608.2864	12482.44125	6618.9332	5258.2756	7252.437333	7241.429333	5987.66	3952.262667	7261.610667	8545.94375	2635.948	12484.8175	1326.969	2627.244	3974.1125	29536.8744	15840.7164	17461.686	15108.94125	7899.262667	6566.56	11163.2744	NA	16534.73625	664.966	8539.7756	NA	15166.7055	10500.55875	3960.957	14474.32625	11884.3176	13163.948	17904.978	14525.28	14444.2744	17189.966	14507.4555	11245.2175	27776.4675	20392.95125	6631.4765	43646.4675	20328.366	23605.866	13131.8744	19077.70125	8572.272	20494.966	21752.272	16485.4092	28903.5675	14631.652	17722.5732	20392.95125	34576.652	5920.13	17793.77067	16561.916	19693.8744	39601.9188	24388.272	10564.7176	11906.4675	5925.762667	15094.56	15167.2092	7982.66	15102.7756	11171.42133	9948.978	34130.2744	3978.62	4634.469	5257.4744	13840.353	19693.8744	54688.43733	3959.272	4644.978	44080.096	17762.26133	12519.936	14446.4756	19946.4885	11825.25333	9285.978	3362.688	2631.92	16627.66	15761.252	17082.0675	12485.628	12600.978	7255.7055	34861.59467	19040.5756	19052.3175	17864.469	3293.948	7312.158	1326.969	16505.28	11906.4675	5925.948	20328.366	12568.8332	4037.69	6605.28	10543.936	11819.4744	14437.6708	21121.5176	9198.586667	4601.628	10507.0744	6562.866	20429.104	23717.853	33723.98625	18997.92375	5300.293714	24963.0675	12473.7732	1982.457	15723.54875	9975.317333	14426.6648	4644.978	10585.5332	16520.426	4634.469	22953.8672	19121.8092	10507.0744	54516.8175	19781.4555	15789.57625	17111.09486	3950.26	3282.6845	78128.752	3908.604	23057.16437	7909.269333	9219.4495	7887.5675	9236.957	7258.0092	4606.884	12484.8175	34203.0912	9184.866	23627.4732	8565.768	18518.7332	18818.688	2662.66	5960.22	11222.44533	4591.4576	3974.5332	10511.92	6722.688	11214.3104	NA	4635.070286	2606.604	3971.4675	5279.853	7232.19375
C658	"Syringaldehyde; 4-Hydroxy-3,5-Dimethoxybenzaldehyde"	182.0579	C9H10O4	Phenolic acids	Phenolic acids	134-96-3	3	7125.09	NA	27463.162	37033.61463	8877.08625	26128.466	9618.090375	13918.1876	15940.74875	22306.1452	22925.91217	19757.7452	20369.2356	15302.07444	NA	17888.4632	NA	10777.96125	5178.588	13399.60267	14025.76457	54212.1524	60989.43338	34501.4425	14009.365	23580.3452	10303.8625	14021.644	NA	37533.44111	31897.6536	27500.284	19757.7452	22880.4345	12752.71712	19796.00875	45346.27	28066.4524	24706.2996	NA	40859.4885	NA	14705.94667	18868.6533	17225.5524	24803.8296	14044.772	40878.0632	12082.37313	20437.48962	36908.8625	13664.16778	6438.861	27327.1845	NA	18419.7188	8269.6845	5010.504	6297.518	14642.98875	7772.59	25581.39375	17187.7356	29946.644	29951.3452	28035.644	22384.51875	8995.3535	8915.61375	19157.63375	14695.4632	17864.436	39287.864	14209.86675	3866.3625	17231.104	28672.644	29341.8524	9016.3625	21691.436	10828.5705	8260.0176	9558.822	14679.104	14135.61667	11657.59	11624.98838	22330.6536	17262.61333	22939.644	15972.6632	3887.59	19757.7452	26795.2536	NA	15902.6296	17979.852	13414.7385	22329.26933	31898.86556	44050.7385	19185.11467	21578.04263	8943.63375	26765.8452	25487.644	16733.75111	26215.6425	15932.644	27413.49875	18467.411	5830.09	29235.81063	9660.1125	9715.09	17255.1925	19807.608	16741.3625	15922.5705	NA	9067.59	41565.76875	10810.6845	9566.99875	45878.8452	17846.4452	25552.77	19367.23838	24150.9345	28857.82	16837.59	17228.2536	NA	12112.5452	12097.48875	25242.20738	11499.385	37498.56175	20273.1996	34448.8536	12788.44667	10303.8625	15269.2308	8927.0452	8947.864625	14761.73112	10822.75733	22302.644	10838.3452	38322.77	12097.3356	14025.8725	15975.27	20493.52112	26669.2176	22314.49875	28636.6344	35685.2452	40975.52113	NA	19138.6524	27433.0536	36446.1995	25467.638	23581.482	15306.07778	29351.0548	14166.3625	21726.87138	NA	22848.91875	20939.5116	17878.21029	21724.74525	8829.8025	33811.0536	11510.11333	61874.2536	7753.11225	41526.18388	22910.8344	26765.466	26694.56063	43242.0296	20317.42212	33538.45	6398.8925	23515.6845	7659.102667	18391.99886	29988.9548	15242.8176	15314.8536	NA	11409.335	27372.8368	15298.0452	16620.62363	8918.3205	14610.3188	15453.8625	18524.36575	19037.04037	21078.162	24249.104	20278.335	36831.8188	20976.74812	18609.60612	NA	20395.8235	10210.436	35925.04362	27381.9955	23606.2536
C659	Tachioside	302.0998	C13H18O8	Phenolic acids	Phenolic acids	109194-60-7	2	17927.84057	34090.66662	10371.24	22283.05969	NA	16812.21575	12208.72	14538.96054	11713.04687	NA	NA	10262.34154	15649.402	19371.76338	14970.72654	5506.5208	4566.21	13183.37	9690.980333	9845.670375	11755.38571	10159.28915	28356.895	22092.51946	8615.571385	31459.06769	15016.19821	NA	6773.402462	11908.98431	NA	9390.610357	NA	14544.91971	30943.58523	NA	11455.488	19350.25331	15742.66777	12421.64517	NA	NA	20884.171	22154.325	19508.25825	7149.744	9313.006462	30766.26614	13455.18271	27899.021	12695.10962	10490.92275	14302.20617	13200.94669	40566.10492	15748.26708	21777.65421	12799.18408	17119.5	20626.70583	14340.86893	NA	NA	8158.795125	16053.906	17812.7375	15352.36731	13702.86462	3123.572	12412.92738	18290.39808	10112.31738	13758.47525	27382.09223	11807.44444	6910.13	13453.69523	22577.89808	11140.992	NA	20608.92	14768.20108	13348.336	7201.112571	NA	12289.15615	NA	11960.51143	24356.59538	10181.15877	7262.921	11088.285	11083.32554	17002.84969	16856.60985	12324.78	13425.77715	8277.815	NA	32800.66646	17474.15917	10555.17354	NA	8774.361	14710.56031	11639.24469	10640.33177	14237.01964	14691.03985	14244.25108	NA	12416.08125	7500.276	13822.68825	25087.62308	12244.4075	14179.12992	10040.13546	NA	14592.83662	6237.187875	19560.49875	8037.569231	22349.41333	12015.84554	9498.587	12286.59877	15923.453	7522.662333	12457.92067	18861.51893	26558.0965	12325.96769	7637.068462	9650.317538	23816.3505	25501.14523	7727.226	8732.976	NA	23697.75586	13023.84423	10280.91962	21866.10743	14757.60923	7082.475385	19688.71883	21017.37308	17640.06523	15680.76	10533.1695	15669.96738	4966.584	14175.09515	15177.00115	10406.87615	24053.24077	12906.04483	13989.204	19041.99508	26383.12062	5964.170667	18361.4305	25641.82	7420.3736	12007.67262	20198.55877	8786.973846	NA	12453.79917	15027.684	7228.7685	NA	27952.80323	26252.508	13461.19015	12361.81275	16223.102	10038.15833	9691.03	NA	NA	13863.77017	9935.77	9115.532462	11938.81292	41600.928	12624.69833	14076.034	18069.91592	22454.17	12692.7925	9611.417625	12186.55069	13004.80783	11275.776	11699.75357	14555.343	8058.140444	11073.49662	55017.95385	NA	15744.96171	NA	29788.06431	11243.87808	NA	NA	13535.721	7666.1355	16474.2065	12693.15323	NA	4271.0185	9488.802857
C660	Trans-4-Hydroxycinnamic Acid Methyl Ester	178.063	C10H10O3	Phenolic acids	Phenolic acids	19367-38-5	3	25190.52627	27528.424	40407.12375	45895.32917	52041.34309	16277.62618	21597.341	20215.701	42495.54283	40587.704	8425.037818	63399.20945	16673.06073	31250.23158	5923.185875	50865.79067	23105.51273	27531.97745	20762.513	22945.04764	7354.1545	71907.26109	101461.7557	44610.78109	28438.21091	20393.27755	32473.80825	17285.91167	20838.1485	157585.9542	12770.67675	28433.96218	30115.85673	17210.37217	36082.046	15184.93114	38869.62567	48801.73967	16896.62291	14397.30113	81548.56267	15114.4695	35417.00071	32002.21027	30677.06473	31212.11486	18220.10743	23391.33	8739.326	32566.6575	34205.30743	23144.90643	16436.64857	18085.83	13309.20929	36499.08513	10242.48312	16907.26125	11067.39312	22122.88214	14607.541	14654.6965	15828.888	21041.1495	17469.96825	21271.68786	15777.61971	7131.942	7874.969286	33328.00429	11667.69625	13954.1585	28504.93388	4861.966286	34023.736	19589.9625	31263.56057	32800.59514	18615.84873	43571.584	39078.03857	29578.15286	26523.15171	26803.05429	27471.52238	36010.862	43193.19714	15740.40433	33708.06975	38270.87275	202164.645	15124.48738	37523.05292	40943.88125	35038.59525	30458.25257	26442.633	26154.53163	57092.18275	71530.101	52871.64	48173.10313	153530.4975	70048.33775	137646.9896	104587.6191	52302.22625	40696.77813	45825.01713	97542.14657	40291.452	60284.32925	85124.8395	114644.6043	23150.45571	54622.25643	83486.358	63722.68443	61283.06486	52840.87929	52585.3165	101797.7535	73064.2995	38689.57975	61130.1265	60932.0485	17594.85875	32024.80163	34933.85787	25469.49925	44603.13145	28366.0785	40843.29171	24215.4315	71686.02467	34789.70764	59926.43875	161584.3587	56169.86	360716.1495	34466.86364	37832.43409	65644.04145	34725.6195	37541.60217	24123.45	41985.01255	66236.51717	28627.0725	104452.9029	34358.32325	45851.66709	23392.195	49694.68267	53190.586	56528.928	42963.31818	21522.73933	25676.16	31792.284	18305.16367	41573.03475	74128.4115	30369.95909	89531.36458	52353.895	48803.47533	29846.26125	33921.85983	68115.26283	35236.01525	29916.393	16151.92917	23305.0875	49494.42873	76580.24727	60655.569	141559.3135	37113	94838.26036	91712.39582	40310.39133	28534.36	79106.98036	42439.81183	74901.456	25721.57236	35822.49873	62761.9135	22588.37127	38760.657	16954.45164	46477.36145	69798.77236	45160.76645	50684.96	34696.62	97948.93	179238.0749	82011.92025	45982.0725	42511.94025	42179.85927	70946.24283	71839.86333	73382.652	133729.6329	70016.99727	74229.25633	60875.93527	118643.45	57494.63182	20186.87375	82300.10633	20463.2805
C661	Trihydroxycinnamoylquinic acid	372.1057	C16H20O10	Phenolic acids	Phenolic acids	-	1	293488.2326	281359.0991	2443824.441	278335.33	338074.6454	1400726.297	850583.1989	187015.7888	1147707.551	173268.4826	344144.2241	2010970.584	937182.9579	936510.6842	267417.78	1073734.683	218555.8125	532107.4426	223990.9568	1380180.483	344547.0522	3881445.508	377062.2089	1412361.517	423681.3565	1178237.333	747712.8211	1228034.829	2522558.538	1892681.606	535045.6627	835875.5422	2454476.886	756473.5377	627495.2929	600357.3349	729070.4105	847880.41	1619948.232	1756461.456	4295028.452	611034.3109	4705203.345	3074097.559	1919852.748	276649.7877	1554473.83	282976.1013	393606.7667	2035527.351	1058298.083	881622.1076	240502.584	367244.4116	223925.6065	1334628.708	1325784.74	1229962.098	686295.1638	587492.8565	2925978.621	226214.494	1112976.27	1010681.545	753158.5204	130416.096	239040.494	1615157.975	187392.1065	2532377.299	436055.6065	1037828.232	253737.3334	711017.674	1136960.832	464530.584	688254.6065	704788.1605	268981.032	4011993.534	2827668.151	1903915.654	741908.8317	1378266.356	2039877.435	633413.5747	1160833.106	770088.4488	1375807.41	1939131.554	686133.6454	1732946.486	409759.4568	594568.0337	595379.116	552861.4274	615934.5975	271094.3576	738930.1065	675435.9751	4096463.938	4709755.708	2048581.253	3226183.08	1775229.939	390724.7951	821947.2079	763039.6488	323341.8317	1349671.021	1001018.787	396028.6076	805555.6616	709063.2079	228887.256	809600.5204	2265238.525	1365528.302	1420316.582	290755.328	1456636.606	1983526.629	2295167.746	336408.6605	1050643.356	1372256.708	224805.0512	974119.4568	1595108.224	1176129.747	2799666.909	2356325.824	3022475.064	375841.683	301653.1842	1432966.584	461393.3565	2013660.66	1333500.755	1008217.356	304459.2866	3881877.216	927474.1605	1812618.772	7516434.972	777679.4899	1516922.974	871199.264	163736.2429	2481811.081	1315507.83	768229.9867	737595.3514	564841.2733	1003007.383	4080338.671	2291779.652	1339171.556	456606.94	680618.43	368982.4105	623715.7241	4020313.986	886889.64	2581249.862	1609300.21	3720853.321	1050773.037	4715287.91	1654498.434	415181.3554	1606349.701	488983.63	674931.456	291774.9956	184088.26	1073680.052	6613110.059	807952.4956	2442907.671	1067687.777	1432084.35	418623.0752	1194622.904	1328522.14	1010695.439	231178.4275	737404.0922	2712369.42	1158363.93	1730657.003	1095366.94	654041.0065	458280.1544	969298.2167	502025.472	313880.8648	2878363.488	500996.1008	826062.7704	384665.0589	706786.584	523723.8756	4088377.863	809081.2551	1126819.33	793726.2079	1432610.67	522744.2413	1375144.185	1962129.456	2487769.618	3429343.461	1453760.051	821898.1006
C662	Vanillic acid	168.0423	C8H8O4	Phenolic acids	Phenolic acids	121-34-6	3	117771.3367	120476.9555	87688.87763	137799.7545	87298.6765	125362.4688	89036.0484	100986.487	89778.28767	247539.67	325876.5484	109228.1723	93467.466	122344.67	104444.9484	159526.2545	49445.7055	156762.2652	70947.2652	84105.5652	65226.2652	153525.1484	193722.1591	334563.8381	65226.2652	102328.8432	90346.7915	37193.3652	66208.0484	95356.58875	384155.2496	83485.7915	110911.3367	70550.823	123488.0033	124152.5652	92633.7915	125274.864	67519.386	25276.0916	116715.2652	321517.4085	68776.29	75479.0045	208275.8472	92064.4555	52196.529	363069.2545	145509.8472	87522.864	199070.77	58445.29875	143015.675	134654.1575	90970.7652	150573.225	132927.5313	64082.0652	202640.8496	97056.366	199634.864	119874.8496	297160.77	81817.1652	167060.0652	148752.8652	127843.6484	65054.48817	77718.9225	123580.4652	106104.7988	87832.5336	179074.1652	186150.4425	73753.00333	61849.54875	125395.5487	111709.5133	59580.04875	49100.95875	149258.175	125394.966	126418.864	72091.4652	181038.175	137482.9075	119721.7987	144990.0496	97646.71	133878.2652	140714.6738	126169.0838	92487.79875	114146.8484	96161.90625	114852.9075	139780.487	102210.8136	116222.8467	264194.6472	122464.848	104939.5133	165305.3467	115297.2075	76167.01333	129776.3367	81756.33667	196386.7087	100124.3652	171508.0033	78192.7484	104129.0652	156406.0496	80129.7672	244695.9656	99296.29875	88110.2652	87349.58375	161707.5488	184147.9567	96619.67	138157.4587	68288.848	49101.51467	158017.848	84105.5652	196886.6575	93608.7075	100709.1575	95558.4492	100450.0484	126159.4555	47398.71	105845.3652	93200.27033	92922.89625	152643.0033	122707.3484	82340.3105	118982.864	113115.4975	85652.0976	147818.1484	65296.1495	53180.7545	112673.5966	290621.298	122500.4688	106238.466	123870.4496	100039.4988	80475.5484	103494.7545	168472.8548	145327.2138	51150.4555	151041.2652	97547.7672	112172.4277	126753.823	83343.6496	120995.2484	144091.2915	184306.4048	106521.8105	57216.8652	71344.3484	53652.6484	65827.54667	74951.9652	111040.798	165003.1988	44521.4484	86241.8988	93185.05233	152867.2055	130697.1484	185284.6233	80041.33667	273558.8388	117668.3297	188799.8652	90366.54375	92632.7055	212182.797	91725.966	58805.83375	117277.1656	87802.2412	93259.1652	134702.9567	75072.10333	127882.9567	69011.90625	64405.5388	308853.6507	91415.9988	143998.3647	71956.9072	97732.3455	115913.9543	136948.3675	81817.1652	79720.24667	127824.5605	151626.84	104886.84	106709.0472	94323.621	145320.2652	115838.1945	106390.761	548545.6496	81207.66763	373815.3484
C663	Vanillic Acid-4-O-Glucuronide	342.0951	C15H18O9	Phenolic acids	Phenolic acids	-	1	33741.48	32999.8233	95817.02	28083.44	NA	90746.628	54379.57557	28349.811	16231.32	127426.4293	41261.3475	56510.92	27813.2751	40711.79186	41082.4764	38413.1492	17411.6376	13499.445	35454.92	50169.684	8219.547143	76623.58733	47374.3782	46683.22	15166.736	27140.8107	38667.0636	92784.97143	75849.33033	474499.78	37155.36	26226.564	52432.47	34904.96143	52299.72	52653.8236	71718.3432	312461.3773	120521.112	77111.74125	71954.18	35342.4907	19903.702	22819.44	130924.9162	63428.5225	19282.4148	51879.83657	23904.38018	58575.825	73019.6928	27342.97125	24556.5144	21153.152	35687.519	128368.7672	24808.758	58706.772	26992.72929	32112.63791	42098.09864	24317.62971	31066.5573	128073.066	60382.20417	24753.044	117225.7857	38412.94629	36868.47625	48696.795	29516.34	27212.7856	62344.9	36064.092	76922.055	21164.78633	19945.919	60680.976	NA	27642.437	22394.3	56359.45	21117.99333	24144.616	39537.652	43161.80082	24305.405	29405.39929	28900.30629	38612.38	1226877.816	28898.8056	42221.77442	23149.98933	225317.5149	39777.408	18813.945	NA	31840.197	33303.66629	26120.2835	13495.399	32605.742	37156.66375	22200.87127	203959.601	29437.9295	16836.1545	49149.09283	105370.796	16412.99	50021.3728	22687.36171	36256.84533	35188.59969	22726.998	26328.16367	186674.3536	22059.7	60240.622	35403.07875	67704.128	46303.9164	22084.11273	84004.70557	72214.689	23903.425	11460.39	45038.015	31977.062	29944.026	62727.463	46356.501	40157.7	26250.252	27501.375	45455.898	235556.0998	53614.08	484710.7694	NA	55724.751	13216.7	33075.32592	52318.266	20559.136	33872.275	93354.3325	75350.415	31798.59273	17511.5394	125080.098	75704.76273	44175.5	217045.2067	34112.9268	90916.89229	51359.45143	36395.2248	23142.575	30026.59	60578.028	46818.354	NA	138815.6343	36400.4368	38764.008	55272.82629	78263.37729	43140.54864	48508.11218	41838.995	66951.81	22304.675	40612.75429	156847.921	112502.016	115287.217	20825.9952	46757.7145	18110.15643	44943.77657	28076.525	358461.0135	32248.3665	32957.821	36155.22	37610.012	34563.048	55535.522	103763.4303	10521.495	NA	32725.0425	43450.726	13673.8325	16520.8836	29638.1439	369097.036	18545.0475	23822.47691	20713.84	15222.984	64720.11	30181.35167	28866.33867	23586.46267	19512.762	32242.1675	83021.39417	29086.52543	44758.448	18558.52167	147223.5803	22818.5
C664	Vanillin; 4-Hydroxy-3-Methoxybenzaldehyde	152.0474	C8H8O3	Phenolic acids	Phenolic acids	121-33-5	3	551437.9211	739371.5692	831433.2336	2211645.421	714026.9003	494780.0461	587924.6967	996895.0162	521322.4431	1086393.671	1208201.819	881586.6098	652418.898	406499.1711	402345.46	1104286.36	656636.8192	994785.4365	339885.1733	758138.5067	442075.0461	1133404.848	1844089.134	932681.8524	638315.0078	828679.4137	743422.69	430122.5067	332117.7933	877550.1086	1708481.819	615653.7933	937502.0461	857564.0693	1014707.097	677929.9211	938328.9443	1499770.734	348477.4027	380754.6189	899949.7336	593857.5776	727230.46	756328.6086	1531770.817	945551.8193	473993.7116	1153152.486	873518.8478	644189.1733	1274241.602	587672.6086	573178.7336	1300376.822	384099.5461	824356.8366	587243.188	592117.0137	743355.6435	739199.4836	1224085.484	493636.4388	785205.6469	710279.1098	981642.4836	752375.7336	789403.4757	403730.1435	462542.1098	910490.7336	594317.1098	601716.5676	893006.568	258655.0624	740045.0004	627774.084	1151725.36	916573.0681	782987.4023	458545.3586	753105.9847	729824.8991	650856.8575	786633.9836	824901.084	701845.544	731293.7336	931762.6943	1126900.544	740587.3598	1002160.735	727546.544	946156.3598	1412546.633	949990.6412	902300.4454	941731.992	671341.7961	1231991.234	1563711.266	1825737.354	1340164.325	1191372.084	881694.8686	1126688.11	1532923.107	1036884.358	1302812.287	670024.1711	2265981.625	933075.9443	895996.8586	1123287.171	790695.64	1315231.694	1681399.377	885371.8575	991805.544	1449536.86	738785.2579	797833.7961	1724965.694	578498.4443	489900.6954	1382859.296	646368.2347	692817.1329	797833.7961	680931.9443	645147.898	1119450.881	805967.544	571115.898	504073.584	488475.6638	1053154.477	961007.84	1303908.699	779627.2978	1964976.664	1038664.333	514979.5866	964166.7933	574627.916	513324.1734	555974.5167	1205094.235	1443864.234	646602.7251	1290157.131	886262.5387	972616.7922	442577.0693	599727.2899	1103986.274	1243764.793	1147137.172	1169434.6	1045774.414	991082.8633	646787.4442	1167969.101	1520098.694	996328.6424	1269122.423	623306.7978	1023033.569	534308.7961	727111.898	808033.1716	923779.8633	1003596.205	491898.0789	1230738.679	735680.41	1279117.319	851949.1007	3673869.405	635705.6075	1830320.898	1500953.673	1218156.171	590974.3193	1411889.945	693138.6435	1122485.554	766510.6166	1188503.069	930787.8991	710938.6877	1448418.181	849939.6649	827359.3193	715355.9033	994910.9616	1367187.863	679223.916	796592.2116	913177.3722	1306137.916	877530.7933	969875.8598	882212.1716	634150.2404	942674.9365	1047795.962	1183915.413	1563733.571	822184.5704	722804.0174	778415.2044	452839.7116	1665271.739	740357.1267	632042.5752
C665	Vanilloloside	316.1158	C14H20O8	Phenolic acids	Phenolic acids	74950-96-2	3	366884.975	1069973.134	4889382.223	629345.0861	288212.6821	1614538.523	1044493.496	244403.1333	10899723.07	404354.8139	1065398.696	4536503.316	NA	998687.3686	474688.4421	1049054.954	717310.6597	621633.2922	286658.0211	657729.1683	402534.3292	20483317.48	616696.8049	778175.4854	200741.7981	883695.7305	628308.188	1496178.876	6826603.177	14895257.58	798992.7615	2767657.341	7127274.473	545721	107090.642	548934.6107	29042678.21	466360.7683	2799612.06	3727143.184	9406937.183	426950.0409	4338116.271	5766106.04	2325436.911	286116.8291	1005191.948	334799.1917	222942.0812	1739067.672	2158755.638	236954.7084	470482.0261	1502117.056	632915.0345	3094303.595	3022051.141	1265435.209	755679.1644	4603858.49	5257170.929	3909589.826	1101477.408	10679596.66	1116780.511	555046.9147	917596.0762	1347453.271	224226.8395	6291950.311	775919.4319	6141212.327	2887990.535	7887377.224	3805653.845	78011.64	450101.034	4267530.834	290256.5211	13708227.48	2707482.587	1504081.926	1136702.698	1046386.278	1435354.9	4614375.569	844984.1387	556707.7188	2787286.459	5233740.461	471075.672	2696879.579	197356.9344	803865.4455	527491.5856	854239.3464	271701.735	237044.566	3914311.924	500348.079	38547204.83	6170224.381	3771873.776	4162304.743	3461866.095	847696.596	839997.6331	688340.13	891385.0475	2218043.76	418246.2688	453353.7911	1244012.485	879343.6008	461845.1412	439932.7432	2716866.587	26302800.68	751957.0779	NA	1542839.974	25348116.36	13105533.6	276983.744	8293469.636	7830923.889	336685.7053	614768.8988	2409856.032	2600181.53	3634853.052	2501829.331	1926029.364	364993.3592	8097244.134	1075408.646	1246676.943	1021041.803	14019096.34	3627481.698	919571.9858	8569583.82	2061750.139	1513970.349	28234919.21	401444.3957	1258766.466	2411124.242	279205.9315	22388219.72	2659103.337	1100803.209	2614565.885	663439.3096	2312775.767	9037198.255	7761044.248	3221796.911	284753.7277	829568.767	237656.0311	521854.2	1765468.25	682928.7795	6002921.077	1067600.987	5180892.797	694688.8731	14668205.69	839506.1813	330417.1395	1590229.261	257880.1948	565639.6302	1018929.17	1260882.845	520768.107	47504465.29	625529.7072	4550258.189	2622256.163	1820082.874	539677.5244	919116.0735	1368078.571	7643605.518	596706.0181	534501.825	2196987.146	765133.5887	8901176.804	1407442.529	138383.908	256036.3371	1124648.097	NA	231178.5945	3339940.922	205776.1588	1231283.414	407138.4761	NA	545105.106	16484402.52	1479991.051	722195.7728	455679.5384	1501328.736	953359.4224	8015713.953	3796645.543	11573983.57	1784277.862	NA	926449.4216
C666	Vnilloylcaffeoyltartaric acid	462.0798	C21H18O12	Phenolic acids	Phenolic acids	-	2	5789.88375	17738.301	15126.8568	NA	11067.0175	NA	7232.391833	NA	13238.95817	4032.4396	NA	4030.236364	3627.3565	22667.21	12730.0415	NA	NA	9271.205333	NA	23839.94625	21637.21	NA	28506.45817	2147.216	9135.5725	NA	NA	NA	30038.126	NA	10687.50222	14762.46375	10307.21	18672.554	39709.126	NA	11312.112	NA	NA	NA	16765.60967	6418.461	5605.208167	NA	NA	9812.8085	24443.12717	7174.144	3083.054	63019.781	4159.1925	31961.8225	13830.144	12726.96375	26375.57125	3624.57	NA	530.9165	NA	7643.377167	14770.54383	19485.495	NA	NA	3948.9595	70769.7105	NA	NA	31061.2105	NA	19280.5725	NA	8498.62125	NA	23338.5725	6132.0645	9256.112	NA	4002.9975	26992.96167	NA	NA	NA	31961.8225	NA	34098.957	13190.32125	6486.7425	41879.554	8708.4428	8690.066	NA	10868.50778	196800.0552	7634.3025	3636.114	9678.126	8351.301	NA	1021.054	97397.0725	NA	9245.5596	NA	5076.32125	NA	NA	3502.37125	NA	10687.50222	5619.18	NA	12393.22517	7157.066	2598.114	NA	34848.91333	28002.126	3107.07	47330.46375	NA	NA	21894.126	7129.33875	NA	NA	NA	2582.21	NA	7127.286833	5096.2915	NA	39286.569	19275.82125	27396.5725	NA	3515.68	10082.29444	21772.253	6095.075	28502.08875	NA	NA	NA	2501.86875	27484.12367	4151.1825	NA	NA	NA	12791.1368	5705.9325	1474.443	NA	NA	1591.733333	35981.3615	17111.55875	17659.6925	8056.3765	11812.0596	13739.67	44282.87483	10844.97517	NA	39785.86556	NA	3216.213	36308.4356	13609.66375	NA	NA	NA	NA	32583.126	6486.3945	NA	49551.22517	13716.3585	6646.066	NA	NA	7131.958167	NA	10734.65167	NA	4076.08875	NA	78912.19125	NA	NA	NA	NA	27488.62483	NA	5158.0445	22355.44417	4647.2322	NA	32047.87017	27997.5415	11671.8225	4688.0424	22399.45817	19269.93017	18187.695	33097.54383	NA	24923.94667	NA	5278.165	22359.112	NA	8582.554	NA
C667	Xanthoxylin	196.0736	C10H12O4	Phenolic acids	Phenolic acids	90-24-4	2	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	268445	447705.6987	269939.7882	379687.2715	197974.7154	202975.7259	296983.3337	297555.5137	297151.272	368086.5385	265898.6338	418887.3185	395595.3707	419043.208	393238.7077	628445.9817	392537.2533	NA	NA	NA	451948.4255	540291.5433	469256.708	370510.7167	327725.0637	345989.952	345530.327	272345.3206	310993.056	270300.213	308116.9373	313117.355	231631.7988	427489.392	540330.3225	395581.6375	355796.4193	277091.978	347159.5173	431047.3865	NA	NA	433536.1477	417238.1094	NA	255014.6677	492538.2813	569535.7828	233683.9274	231218.848	270337.2615	293993.4458	286050.5509	261893.7678	NA	325755.1752	NA	NA	NA	234116.8597	NA	489691.3846	563028.9732	322838.5135	NA	223579.9307	233562.6782	258757.6031	303623.7874	199080.2146	NA	NA	NA	NA	251531.6887	304961.0589	NA	NA	484563.6092	NA	333123.42	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	219094.288	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	303399.2878	NA	NA	NA	NA	341922.9988	NA	284403.9063	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
C668	¦Á-Hydroxycinnamic Acid*	164.0473	C9H8O3	Phenolic acids	Phenolic acids	5801-57-0	1	154214.8744	168471.366	240286.878	256542.9732	285150.366	151108.9391	68689.5248	120604.908	186169.866	242108.7732	102359.4732	219834.8744	113409.366	262617.2516	49825.866	381916.2744	150117.366	161743.4576	134613.6266	150933.8744	74826.0756	614117.6648	342544.2744	236538.0174	138466.0744	350008.5867	211734.366	71050.2936	123897.366	431131.2744	144217.866	239812.884	284798.6744	190102.866	186368.6744	216389.5164	199279.866	285454.8744	194619.4164	78751.8744	351074.8744	262207.866	166394.1651	112850.5028	254380.6672	265444.8648	180462.8744	243495.1756	120848.5675	344512.8744	241231.866	219724.6838	125958.56	170027.272	91875.8744	209767.866	127160.104	137153.6744	57349.6092	116811.4744	115499.0744	162671.4675	135020.2648	132518.56	159464.4744	348482.7175	130724.6937	108083.908	252675.948	273028.6756	185740.7756	108327.752	255797.8088	72266.8828	182459.2756	208023.2744	176525.6744	131356.5675	166325.28	178494.2744	127592.5947	137213.752	175213.2744	192274.4744	84614.43375	761616.604	270362.2744	252903.4437	212389.866	164796.2606	2145162.665	112989.0687	203765.604	212136.8175	367971.2715	252338.4373	197460.8187	204711.0732	141702.56	277731.6125	227615.596	127160.104	256630.9853	234854.56	190991.1756	328846.272	127966.8744	117324.4648	217748.096	401400.2576	99851.56875	82462.66	366281.2385	219667.3684	233197.1937	190070.928	321107.948	204951.5687	180462.8744	260201.6648	100653.7627	128760.2828	131087.8648	242455.9373	145028.0744	114439.2613	194361.104	104310.56	93188.2744	158152.0744	184203.366	135020.2648	271018.4744	183115.5756	254341.866	335476.752	157519.8756	260936.6672	109376.1588	1012678.776	124704.8756	102265.866	135322.8188	156672.366	116172.9756	251064.366	194243.0744	205398.4744	128485.866	555871.866	141647.66	199935.366	275584.1924	182892.366	328764.0744	188907.0708	246212.6576	140961.8672	154705.866	107219.8275	117883.353	183619.1805	251026.0648	114014.908	131622.6576	180760.2588	159142.8069	141725.4732	88549.68375	247317.9465	168052.908	187452.2648	224437.2446	128485.866	119558.426	268654.3519	224223.0672	648297.366	122717.2744	251719.866	166912.0164	232302.6744	100299.366	202588.2672	238059.0912	158444.848	98332.866	226120.8648	251294.1732	136881.9588	113645.9438	133483.3935	166658.688	202557.366	99172.9332	211755.0912	178303.866	227674.5732	614169.8332	130828.0174	116669.0648	83617.55	122455.4576	203685.6891	173529.8576	192274.4744	320233.4744	155385.0672	154729.4672	137662.866	266392.6965	95069.8672	127174.866	254997.366	104248.2672
C669	Genipin	226.0841	C11H14O5	Terpenoids	Monoterpenoids	6902-77-8	2	19761.984	64488.32	44713.984	11444.65067	33464.364	14676.192	NA	27345.309	193386.3173	45091.791	31444.192	9436.192	24119.694	59601.864	39847.194	34588.192	46118.288	27191.364	27191.364	15731.694	64548.246	NA	21031.3075	15731.694	40834.87467	27254.288	35555.364	9436.192	NA	14690.196	35629.7865	16760.376	79939.3105	22019.5395	38782.288	16774.288	24108.192	88469.9945	31203.31867	30195.246	12484.31733	28302.288	171400.809	119848.8075	16645.652	41014.809	17784.69867	97239.864	79466.364	40782.864	60657.032	12624.309	30327.864	53477.694	15730.0395	NA	16626.976	18874.7895	14645.364	28300.192	43688.32	19984.809	27039.65067	35555.364	37128.372	61348.65067	44864.512	13634.694	8324.316	20804.98533	19923.0395	32424.032	16662.246	61410.4945	19980.0575	25236.3075	46140.291	NA	27072.246	NA	27065.7445	50902.976	28880.778	17784.69867	9634.28	8384.19	26024.9945	12468.30667	37750.194	22014.288	15624.9975	16550.3375	NA	137385.2445	40605.246	12482.316	19916.192	25999.984	30396.192	21861.9945	NA	14179.05	34359.246	13599.864	23139.309	17613.9645	4198.194	15730.0395	NA	4138.134	13539.246	27798.276	NA	14482.8375	36816.74667	10484.192	NA	13838.384	NA	22087.809	7095.052	9353.306667	23060.192	52816.713	NA	14563.65067	15775.0575	27087.332	21031.3075	44923.278	10538.8195	35555.364	12574.19	10489.194	46402.218	55419.864	28930.06933	11446.48533	8390.288	18827.364	21841.31733	36701.694	7340.192	23009.364	37646.364	30410.694	5279.22	16642.984	48178.22125	NA	NA	17685.48533	24864.2145	26887.93733	18830.36533	29014.216	12579.2865	5129.8985	14576.7445	NA	32418.864	20945.04133	22009.0365	24190.809	NA	NA	32494.288	NA	32507.694	29154.246	11532.192	62738.364	59343.246	27039.65067	25899.9645	48686.4645	44706.816	4211.3075	14568.32	NA	7366.809	23949.246	5183.713	30042.9645	43674.31733	NA	NA	42867.02933	24054.864	29441.3075	NA	19765.152	9417.864	25100.364	16770.2865	17822.288	39564.246	24143.06133	60647.364	10704.28	40782.864	19918.288	26188.59625	69654.816	19876.032	62398.31867	44158.8075	57510.864	71113.69867	29118.984	16768.47375	11570.0575	38469.816	14645.364	83846.288
C670	Sweroside	358.1264	C16H22O9	Terpenoids	Monoterpenoids	14215-86-2	3	24148.26483	70179.5952	74270.30625	196819.2893	110505.951	50965.76483	10250.226	50724.05625	43479.05625	82432.3075	79175.5952	49452.192	52976.451	45551.93	22482.192	61194.951	58484.7952	75867.87817	64767.598	44704.18033	43814.4315	34427.5575	121456.7952	8099.098	131959.9867	71978.7952	41662.055	39584.3928	8099.098	70171.794	55578.288	39999.58875	59411.96033	164442.789	38682.098	10875.055	63788.956	17094.098	85641.288	33299.6964	107766.451	18163.632	115172.3964	86755.69983	134835.288	56267.93	128458.288	167038.7265	70295.46933	124814.288	177189.424	52149.192	58460.7855	90289.68033	26732.12667	122969.7867	54388.8965	82190.28317	17094.098	75568.794	72870.294	47645.35733	67433.62267	43844.78433	54886.3952	121170.288	33517.18125	78537.94983	150260.6964	98334.18033	79175.5952	47493.1165	86492.61167	49296.77733	102076.624	58450.1165	125356.785	56679.294	78460.538	42935.5355	33016.488	38318.305	NA	101365.0332	31294.56375	85828.51483	36209.3355	86791.0395	46496.1815	55785.9952	31016.67257	28253.456	66673.951	68142.8484	110649.294	79704.05625	67050.01367	54892.4964	175830.288	37432.11067	87271.9952	55008.4192	21025.656	31973.61767	52063.28433	79704.05625	25936.09817	53075.3928	20757.144	42816.45333	51564.6472	31953.19283	45890.3952	45646.11067	26832.516	45885.294	51032.62267	125065.4693	60749.9325	55430.18033	28310.304	80328.2895	35765.847	73066.11767	42573.43125	31493.294	23381.192	49323.78433	40390.18	92991.6472	63021.28433	35103.6	40521.8484	24143.7625	10030.12267	99547.951	43818.516	137568.288	24604.288	44658.93	91769.9952	46444.93	15497.12267	38664.192	32538.3905	29703.6	33799.951	67530.475	46434.285	74207.59817	36659.68033	29674.192	9894.357333	56592.94283	26073.35733	96555.51483	73313.6815	8998.598	37139.68125	62125.12117	55425.0125	32464.818	27410.2855	42287.294	45185.6	64723.19067	17655.295	21212.98971	66156.18033	29663.18933	16192.19333	22491.098	63940.2855	45675.2855	42034.43383	117569.2907	30405.6815	119552.024	35935.09967	98395.288	49173.347	58630.5	27337.288	31938.96533	22649.68125	68837.68033	79458.28433	133899.7867	156164.2843	53097.36533	271958.921	63836.192	27181.5575	28985.055	51859.6815	51859.6815	149411.288	10803.6	100533.4313	52566.7205	98955.794	74200.68033	59780.30625	23254.34817	22844.0355	61600.0575	94853.4496	86714.347	58420.52267	31812.41829	27342.28933	18646.0488	104772.288	41125.0125	86552.288
C671	"2,3-Dihydroxy-12-ursen-28-oic acid"	472.3553	C30H48O4	Terpenoids	Triterpene	-	2	123284.9781	321615.5406	NA	13487.39614	399752.1939	NA	552524.8692	99986.30853	546762.6647	105176.2351	NA	648099.6819	NA	333338.7491	132515.5142	NA	NA	445081.0512	102034.7816	NA	275074.5516	198650.283	133839.145	NA	355526.5951	161241.0336	NA	NA	392108.19	NA	73203.39571	971287.1804	490992.832	134751.7556	48973.9908	8516.0565	124616.49	24556.94625	131315.4669	211748.3754	294347.6196	257150.728	171462.85	177768.6299	138814.1388	99701.0112	348378.3507	26351.038	NA	386502.426	NA	406071.7317	NA	297264.9502	287347.4612	225485.2194	483079.1032	430051.158	NA	NA	45196.424	223554.6625	NA	150909.3944	73499.26737	369520.3302	251612.1978	133866.6049	356548.3114	30272.025	65823.94758	191693.9345	101817.115	35901.84292	109066.3878	136621.0049	285815.9258	190451.3748	124518.2438	69269.51585	7781.685833	146226.6955	197615.3461	141562.7101	NA	1180391.93	NA	378902.3783	227111.6926	112237.4486	62718.885	NA	675187.7497	18145.008	140543.9072	175219.3091	263886.7836	493369.4423	34874.01867	34316.9512	13236.6672	NA	NA	NA	166930.634	55513.61658	NA	NA	414915.8645	NA	NA	53393.814	302593.536	100972.4492	6978.678	163701.8475	1422165.186	1789117.026	161178.2663	452128.0695	NA	NA	205596.8932	198688.3887	NA	24390.08946	9077.703333	137783.3428	NA	227632.5223	198213.92	NA	797117.9669	336514.9559	81130.659	866999.5255	107850.8443	634992.6943	3093.385	7523.858333	118064.8524	159549.1543	73828.4856	14260.9005	NA	84819.48043	147203.7696	881730.9276	415387.1136	220221.502	42644.24325	3853.815	184512.8987	NA	283871.908	95732.1	493941.9769	151304.2614	43058.29714	486576.138	185662.6712	739179.1251	NA	10648.96971	20289.7485	364519.5651	NA	326495.1816	NA	23696.59469	100982.8025	228636.2758	421255.8132	252344.3222	244185.4144	345132.9546	47351.26157	2372259.062	90733.74	83683.0206	333966.094	222059.9976	848905.6818	253024.4178	NA	NA	56026.05	108036.9323	606338.6896	12850.4145	556319.7703	NA	101088.8623	279637.8483	15225.53775	NA	172425.1131	248913.3429	605551.5971	151395.1181	119040.8889	91391.76258	NA	601471.0503	239411.3676	5604.380714	2397126.654	NA	446628.2734	NA	539511.3053	174335.2673	NA	10646.1432	NA
C672	"24,30-Dihydroxy-12(13)-ene-lupeol"	456.3604	C30H48O3	Terpenoids	Triterpene	-	3	104567.9213	157546.8256	105718.6078	51057.6012	60868.29733	76760.475	41639.5	201742.4363	117220.2853	148557.7474	278852.7938	168416.6464	194996.037	156605.919	173250.2471	310463.0159	80456.712	226745.296	189340.008	139981.4678	162748.1369	98867.4918	209638.9775	213006.885	90456.7965	158240.7731	72939.825	81541.41467	132167.574	127088.2918	145141.4109	157122.6936	146035.3967	80693.8284	144079.6207	149460.5674	124371.3686	80965.3878	131245.387	114500.0088	69430.23833	225907.0038	NA	175208.4536	188835.2631	148465.7191	217334.3551	255825.9416	157988.7889	60146.688	92076.41625	90133.25354	97396.5	118256.8725	122803.0941	132875.033	157655.4646	129244.5158	144969.0538	108505.0454	123880.85	130443.222	110381.6375	104390.9806	117870.3021	131697.3392	109095.3445	128809.9643	59849.6682	248135.7115	91865.984	97496.81083	117441.9104	56785.22325	103092.0758	110166.1697	82242.5835	136028.3448	98899.43538	158505.6593	190081.2932	140809.0846	105132.118	125579.6503	116639.9011	94884.748	107887.2615	102881.1055	91115.79292	134303.5658	115524.8785	102559.7548	89163.66769	91555.41038	108518.9332	95107.10154	55618.70525	157303.7486	280646.1578	179435.8871	155365.2573	181678.2349	90097.9485	127082.3409	159386.7038	111067.46	135794.5725	169076.7942	52923.948	67401.46625	87619.73675	101810.0677	102872.3774	85435.23625	62230.11525	141079.0064	117502.4966	90553.54	82669.93425	63047.0955	91592.0015	78803.5815	96072.5722	121051.916	81147.0865	84692.363	187183.3203	135257.75	121072.4431	191650.888	109317.2436	139238.228	95699.37367	109345.3111	80709.453	135142.3863	138386.0969	100555.392	136635.082	83603.968	136896.291	151002.162	90514.6836	129405.0758	90710.6225	122199.5837	133204.863	101123.9193	64697.304	476486.0352	NA	29748.317	128242.9325	96332.45286	130601.4628	188829.7753	135224.8218	149715.1509	120973.4182	128375.6972	118986.666	137301.3626	84189.798	87693.152	75044.0682	134107.8513	167673.4096	30302.8765	128250.8473	149387.7302	NA	156655.8412	36109.266	55154.9442	79605.30462	101022.3664	51290.64071	179226.3319	138090.9801	205972.5397	65589.7515	102165.945	99797.14987	35638.84	127579.196	88605.0066	35739.996	122778.7091	136712.1402	51298.46286	74338.99184	NA	92987.22037	69829.48824	55041.96909	143189.8102	56284.707	112364.0686	111443.9313	69338.39825	41448.99	60749.07475	56870.28545	72263.30225	112349.6958	59067.6198	47908.0386	64918.782	36444.6225	105633.1138	81184.488	113693.58	156029.6917	142852.0128	214353.0296
C673	2¨»-hydroxyoleanolic acid	472.3553	C30H48O4	Terpenoids	Triterpene	-	3	14330.90783	13493.81818	6698.825	14087.89575	6600.682833	3212.95975	9736.4	12454.14167	6170.258333	10995.53333	4914.97825	6386.482636	9800.311091	1715.192727	3503.710182	13466.3165	9737.241667	4142.683333	3455.041667	4265.989	7304.825	10344.925	22980.107	9576.483333	10832.25	5845.637833	3506.353636	5915.821692	5243.00625	7100.438583	8156.625667	2430.197	5706.004333	9212.112	6860.941667	6941.225	4315.113455	4794.975	6373.1	3454.2	7609.479545	5158.575	6778.783333	6575.941667	6088.616667	5453.521364	11237.66225	10670.023	3902.9865	3315.04425	4648.08	8222.92	NA	10183.325	5922.39375	19100.02818	NA	3495.441667	2326.896857	6827.51475	7614.0365	2327.072857	5431.802143	4237.336364	10156.53314	7153.062625	NA	5049.820125	3177.293273	7630.46375	4811.578	7752.894857	10696.848	1281.002571	5725.016667	7006.039125	12939.78333	12614.9	4513.33575	3769.6735	7183.4945	6372.763	7669.860286	9185.666714	11671.599	5376.015	8807.2	8672.0235	10382.904	14015.1375	17677.12036	3397.943	6374.57275	5634.882	15166.17325	7953.75	7400.628	5361.416667	8239.075	9203.336571	3786.467	7812.91875	13388.62657	5045.815385	8978.193	14723.891	11664.4395	12200.08387	9212.041667	14438.79167	13632.40414	7918.93	6332.7	7318.74	15408.89262	8003.238	12032.72255	17156.8845	7953.75	4076.115	15839.325	11375.125	9433.712875	7380.391143	13020.58333	10903.12227	2677.959375	6621.6105	5102.540625	7109.43225	9660.151833	6171.711	4023.872333	9120.749143	11198.642	12649.028	7110.56075	7529.6655	15046.475	7349.5885	5307.281167	10466.96667	5159.416667	4077.059727	5158.575	3223.566	3617.8415	4877.46975	6618.68025	9783.450167	4987.609846	5726.42525	NA	9825.5585	NA	11528.718	2930.18775	4751.67875	5159.08575	5927.858333	3709.334909	10798.261	18299.89091	7589.218	13710.424	7348.4775	4073.582727	9782.73375	2407.347273	9372.88625	12634.55008	10967.5485	4923.12	5496.72	7912.837	15014.14733	11983.95446	19060.38333	5648.39925	10877.42467	4104.808333	6349.091455	4674.107667	10687.68615	6984.77925	4631.3085	3377.4225	8318.191667	13041.21	6982.31625	6635.528	7872.108333	5159.416667	7580.299833	4591.291667	2680.313625	3376.58025	7998.84825	5157.733333	1954.033286	7456.207846	NA	6986.46375	NA	7697.362	8652.065667	3574.374	6713.778273	5851.953	4793.291667	7594.749583	2774.825636	NA	6620.085	NA
C674	3-Epiursolic acid	456.3603	C30H48O3	Terpenoids	Triterpene	989-30-0	3	782569.557	1519226.234	3284749.886	902119.53	366683.411	1894074.585	2061320.872	683999.33	937790.1077	1085403.5	1148394.154	877041.8768	875489.565	NA	440023.059	2192369.901	687879.7007	2872315.685	172449.942	498565.683	1040390.693	1239088.854	347323.24	4146650.109	406017.65	689667.9652	583493.715	728835.1565	1581293.998	468047.3492	120969.519	700696.2325	1064017.1	1051769.579	686485.3465	897907.5647	466733.8947	675339.9628	514059.689	762956.2738	1127309.978	379981.3958	514717.9918	348976.0443	490608.5525	616870.1146	1131001.804	306218.8453	885666.7332	834195.9687	822660.7278	544202.2732	265457.94	2327193.72	538843.5375	508426.4414	847419.2285	1945478.269	1048839.243	603084.0857	560977.5948	438514.3857	1537306.215	474082.3912	270462.375	654612.1671	796054.3352	524658.7225	922810.2412	2274665.764	260122.3771	1078885.21	233240.3714	181752.2254	161771.9196	708271.38	1094438.542	1093650.975	571968.6986	560316.2086	782884.3722	869620.8651	524155.9875	751045.2975	1289256.687	2197207.257	859327.4025	1204096.986	241175.8106	628898.6025	613960.545	2385969.531	980137.7626	3245055.142	720277.6425	995576.0034	941112.2132	1736791.794	1968358.926	393555.1084	963786.7311	1078928.183	951383.3439	3366269.913	581691.75	286627.4352	1068070.911	386047.4707	2832903.593	1563085.838	1134104.603	320755.5357	419645.6019	244477.8695	1189901.977	1102873.015	1494524.779	5749149.329	1010170.065	600880.815	2541263.33	709176.3157	564915.3775	606913.2977	432312.1275	2682894.875	809489.2837	1067339.152	1194713.13	1099383.739	1013208.54	317748.1463	2514064.335	401547.2695	419847.5255	2467692.703	394356.1499	1971706.436	3236942.485	326918.9246	416606.465	1735283.504	392150.836	568655.7058	779959.4553	496308.6847	1216850.895	833407.7841	444496.9737	1661662.244	1608260.657	784644.7828	1122292.183	852537.4596	734709.5195	512671.684	1416593.031	583693.7315	450765.035	922639.5873	693022.5517	779421.2113	1632806.728	7380415.323	642323.5933	649735.0279	308546.4643	1921700.197	739485.0114	1336205.131	869869.6662	629218.394	425708.6498	1855252.676	857300.346	368594.3305	263273.3372	5382154.654	374298.6198	101209.5273	1597083.433	387443.7607	1363356.267	587951.4702	1540418.001	1378143.067	824127.13	538165.7447	1676464.308	852571.8157	1733788.122	1802404.304	349233.5318	225874.1542	176675.73	1048187.914	759906.049	837812.2422	650772.3063	441842.0863	1017609.705	205301.7059	747238.858	760231.0311	826182.016	785144.5705	1011947.505	1186491.14	626658.5303	419934.3423	1329993.645	546926.8718	2826151.979	298881.3766	1320205.087
C675	Betulinic acid	456.3598	C30H48O3	Terpenoids	Triterpene	472-15-1	3	98678.96	172475.32	70583.11714	94719.105	111421.3693	162235.7682	101316.1907	240586.8967	274884.3851	240091.0145	247400.7622	161000.112	232343.1609	67382.34667	182078.376	328361.3225	134633.3834	251401.5438	217233.0447	157459.4575	150341.2775	172096.9375	323685.3671	172698.6771	112897.2618	148538.1333	140557.0298	150793.0298	138970.6778	121229.3665	271168.4029	172461.2374	168734.568	160696.9207	152517.2269	166258.6953	122527.1731	254794.394	152318.1938	113494.3601	109372.3351	282174.9411	74193.07725	154192.9555	211026.672	149806.0102	248250.6245	296239.1338	169135.0113	135457.6407	93190.04567	83552.01586	113131.5686	112114.2471	132933.15	148215.0588	180501.7704	111462.3493	158325.2217	106968.8228	103801.0425	163208.3673	245458.3975	94418.72509	103143.4083	129877.056	136301.0018	140120.4125	96068.60143	226846.4014	183469.5533	97866.039	135477.1992	118465.3745	95942.90571	114341.5223	114570.2871	141412.2	96155.03571	172140.6731	179567.8044	167409.684	123569.2043	124350.1371	115455.5622	186671.7	108066.5523	107601.676	95601.32143	143929.5973	122020.6971	98129.38683	88659.78857	102500.915	90513.2998	91073.32714	96209.89714	178160.5629	183324.196	200928.1855	149370.8186	213493.7985	202847.9025	116065.9821	182509.1295	65625.526	149729.8481	208533.741	115356.8747	107035.7786	97578.71371	90812.427	99074.44714	78106.189	149844.2601	129918.0954	117260.9996	163849.3371	201636.0618	161260.7825	171598.1614	161982.8038	113038.7679	133874.9786	171040.5498	160184.2776	199989.1818	149986.9264	125597.9957	160448.1136	109617.5143	135762.8596	79174.53643	115288.068	208776.2318	117089.625	147079.7937	214398.6033	112484.7536	177064.1891	177286.6803	140184.18	165241.0924	139509.2356	127862.2326	194881.943	173637.9642	118684.5589	108942.1814	272482.9884	100359.9038	109229.7685	122064.9782	206329.6771	113370.2138	187306.275	94658.87714	141862.5318	216849.3027	133111.7136	110188.5557	121108.26	156622.46	151781.63	NA	153189.1844	179853.0338	42438.473	115670.4717	105001.1357	207636.5073	157560.686	89288.52125	91984.78575	73788.00271	115526.3112	94857.27785	147473.6783	130625.1095	138419.4112	83028.80143	190296.1343	90630.47455	57330.81	223664.8991	162251.7665	91876.29931	107002.2817	167813.9752	82065.00364	29392.552	NA	82118.8283	54594.83908	51971.70658	111207.1805	85227.72764	106931.0488	104841.7702	85543.1395	59454.37829	75122.7465	57909.70473	55990.71429	107151.6096	178650.901	81040.10727	117996.5944	123236.698	114154.6636	159905.7262	116312.9873	130645.5052	174232.5393	254603.44
C676	Norarjunolic acid	472.3189	C29H44O5	Terpenoids	Triterpene	60393-90-0	3	20658.13292	15891.96375	25672.43458	NA	19024.86764	41171.45475	NA	14328.95888	34036.5025	NA	NA	NA	47782.42327	23452.98117	NA	NA	14859.331	23226.55183	15757.79137	26934.66208	16746.864	43287.01008	NA	17551.532	NA	34649.23709	61505.325	29708.11867	NA	42259.63917	29701.0025	37351.53982	31389.07192	26542.07955	15448.48618	26488.31818	37026.17767	57680.28409	66211.61725	NA	24525.345	31786.40436	NA	NA	30516.75927	27134.92964	9784.356	29670.5582	46404.30182	21014.892	20454.86909	NA	NA	12260.886	20549.28571	17273.376	15242.45914	32292.297	36191.792	NA	NA	NA	25726.473	35520.94	NA	33981.66017	35622.40758	21542.30925	17474.28983	NA	18890.9445	20316.37275	15648.28571	22021.265	NA	NA	33544.8565	7983.56675	5768.899	NA	NA	NA	24266.63418	20063.0617	26323.9691	17357.415	28013.57	NA	18903.93592	NA	44600.23864	NA	NA	NA	NA	NA	NA	47936.27273	14834.48318	NA	8936.568	37530.35	NA	27761.61364	34906.62382	23569.8489	NA	NA	17527.6725	16566.777	6714.756	17414.46	11296.31	NA	28330.687	NA	24527.165	20490.59945	32318.41018	20572.9035	10610.34725	50261.37867	NA	NA	26800.17117	NA	NA	NA	NA	17964.68637	19414.65855	23330.72	38807.24592	9049.457333	19646.26442	31754.16383	NA	29699.1175	16123.52	NA	NA	14032.57143	23770.7925	NA	11748.79691	41152.74545	NA	20298.311	33371.59273	NA	NA	25538.16582	37210.435	NA	38621.35855	NA	15669.45382	47268.26	31681.70109	NA	37980.98864	21334.4285	11636.68275	NA	NA	23366.721	NA	22675.97727	44796.39717	27587.45455	18920.94533	27842.9995	23643.54745	NA	NA	36366.3625	NA	33457.39467	NA	NA	26756.7216	NA	NA	31130.775	NA	17647.68945	NA	45530.00145	NA	50941.976	29975.21717	20734.0735	NA	NA	21462.46609	NA	26233.04745	20470.64	20014.93	NA	19236.16073	23630.6025	21048.42717	25432.51927	21249.662	NA	NA	NA	NA	NA	NA	31790.41118	NA	37609.1568	NA
C677	Oleanolic acid	456.3604	C30H48O3	Terpenoids	Triterpene	508-02-1	3	98162.4075	173845.1475	68837.84571	94829.7285	112351.3795	160318.4022	104441.9554	223563.816	312360.6543	242431.7334	262942.2895	158264.92	251408.2571	87598.504	190643.8397	346957.0355	136402.331	231722.2495	221063.1698	162443.4589	152624.2312	162969.2171	350963.7647	170270.67	117228.02	152444.7066	127926.7364	136269.0764	137319.4302	118484.9309	262020.0007	182841.3934	166552.719	162495.7324	146269.4531	160903.4062	114732.9389	244794.6636	155897.0716	116325.719	120976.7695	282974.5156	79242.5274	151241.0025	210392.5585	151519.0245	246338.6645	296803.92	173681.6564	138376.7618	88610.536	82890.87857	113004.0643	112961.5629	140072.1448	148738.3572	182056.5315	113636.873	162909.3012	109557.3948	102075.6015	160992.7385	253774.7906	104478.852	112261.9937	151390.4092	139181.3214	124934.7074	107863.308	231549.5914	186757.9725	102205.512	138420.4332	102797.953	95722.64591	108422.099	111469.4914	141639.1757	97047.53571	165285.3888	175364.7229	153256.7423	123482.4066	128281.9714	111680.5558	191983.8567	111016.7983	111571.213	91847.35714	134661.2289	117314.7943	105505.4817	89449.23	91611.0602	82694.667	85820.33143	94353.08914	176074.3757	175695.388	203542.9855	148082.2114	200494.5827	201581.5244	124938.1607	197478.2742	85815.88875	142529.8339	213925.275	105350.7257	128061.4541	95023.606	97196.59245	100629.8186	75654.15357	146153.3898	131333.9831	113199.5899	170399.0786	211187.3148	161318.0931	183653.5235	158661.3172	98723.25	134554.0971	176759.5876	170707.251	217634.931	151692.5768	127661.9017	164327.8295	105494.8757	130472.7087	81352.28057	121119.7964	208119.8045	112475.9464	141265.8991	200053.5513	117098.6714	187120.5938	174303.5109	148891.5471	162051.8863	136824.8821	134068.096	196165.5217	178768.7187	127179.5084	113585.4465	281624.0204	96515.74875	114481.0463	125780.361	211408.9154	121119.7964	185381.5275	99635.82914	153120.4703	229301.7055	139173.1091	121406.74	130782.743	151908.7898	138869.1959	NA	149136.6589	182377.6036	39540.8825	109476.3518	225778.6113	212918.8302	158275.2004	94281.633	95983.2255	74118.01486	118686.4868	102604.8845	142733.3443	132008.8717	145534.9731	80188.44	194924.0143	90557.892	56207.68714	237392.3083	157744.2044	90129.02715	106179.5962	55596.8196	90784.52582	28817.18233	NA	84678.17964	56045.74871	54283.114	117636.8244	90555.10036	105981.7997	104926.4581	86042.562	61084.81257	69175.79631	59463.6384	57528.14364	102071.2657	164793.4618	81622.635	115327.2466	127567.333	109702.9342	155907.4142	123428.3973	121813.9608	169815.5607	255482.0905
C678	Pomolic acid	472.3553	C30H48O4	Terpenoids	Triterpene	13849-91-7	3	123956.5067	284721.6375	NA	52364.64364	346371.7446	NA	484840.1475	107037.6925	451481.2601	116864.0945	NA	556007.481	NA	290352.7188	126692.3658	NA	NA	383415.682	102887.0983	NA	243747.756	198237.8468	NA	NA	309014.7055	145967.15	NA	NA	353074.5067	NA	86852.71636	841452.8108	431427.701	222572.8997	96867.193	34622.42911	125204.8275	38594.60233	172251.3873	183248.0311	263130.0268	240638.04	237008.9618	166502.7164	132170.2509	98763.192	308685.1135	NA	NA	327927.815	NA	336512.9211	NA	256000.3426	239173.8545	201901.1891	412699.7526	394141.4807	NA	NA	57422.14586	237555.6119	NA	144142.1196	73516.0668	329113.8982	239474.1838	133720.3085	313354.2436	50077.79333	62139.572	170739.562	103051.8045	43546.82814	114888.6327	117129.4714	239173.8545	155898.7264	112464.1516	66268.82	NA	129987.8357	155069.4921	119844.9211	35242.02914	921938.7499	NA	368020.4063	200781.0726	105923.0636	63763.438	NA	537532.1934	41905.836	165837.3225	149758.1036	243196.1673	430514.8107	67376.6777	62087.592	NA	NA	43417.8794	NA	152224.9173	102305.9472	NA	NA	364731.92	NA	44384.83227	77097.40967	287135.8691	106626.6028	NA	159834.7964	1205032.178	1468068.584	157200.0585	398354.2078	NA	NA	213081.02	187322.745	36265.6155	NA	NA	133172.0045	NA	207177.7238	186127.4002	NA	687581.9197	310189.2077	92080.55667	753450.0029	117420.0585	537880.4752	NA	33827.097	217992.7273	157198.5713	82924.54864	NA	NA	117877.2063	219029.5443	727324.4588	375111.5891	212492.1108	94827.55022	NA	172732.2046	NA	247647.5421	143896.2233	404584.5697	154128.185	85866.93946	450504.6567	171926.3438	642119.4128	NA	NA	69008.12836	311480.3846	NA	287488.9053	NA	45474.9525	108468.8323	221650.4895	366061.055	218509.829	219563.7372	324235.9475	86025.43269	1968465.987	102731.0704	99208.87438	287394.7977	201137.9342	708558.9132	233924.0896	NA	NA	95946.74625	118390.2953	570810.867	NA	490768.7243	NA	118525.1423	262569.3228	NA	NA	167578.1917	228108.0102	514164.7625	147969.2085	128444.6391	NA	NA	497427.3183	229225.2317	NA	1989103.705	NA	384101.4305	NA	491817.0296	168644.6838	NA	NA	NA
C679	Ursolic acid	456.3604	C30H48O3	Terpenoids	Triterpene	77-52-1	3	926523.588	1010768.176	2475137.067	983141.6005	421879.9406	1175513.107	2410152.517	441619.024	1107487.575	702996.3708	1363408.092	592725.76	540959.5524	277560.0552	340330.378	2512405.13	484526.098	2199276.299	129329.5927	372625.7247	1196683.339	886852.1113	379661.3862	3088625.633	299513.6707	402298.0074	435048.542	835230.0833	1145268.541	290979.198	82631.904	444114.7098	670492.8078	662590.192	418757.379	1035433.917	538352.4688	500912.0633	381097.6833	491550.64	1276736.448	480857.5059	445651.2386	414174.99	374225.962	406614.234	1307186.508	388016.5269	556575.9732	936910.8713	921738.3488	634222.7312	309325.2003	2716874.383	641374.588	619703.5202	680931.072	1536817.163	1228961.818	477190.344	710389.3029	526033.3614	1809610.052	563858.0329	242081.0988	550647.8502	603719.628	601032.0897	751747.6152	1328624.152	328641.9077	1259881.249	269938.7063	195168.9683	184086.2829	839846.3343	1217062.513	1295036.83	680853.696	668973.3528	872690.2953	1022989.065	632034.9071	871091.5048	1555165.081	2409953.26	961014.5529	1473332.234	311545.693	756930.6571	744643.0125	2491755.732	1147687.843	3545709.111	780800.8037	1083409.053	1193043.246	1968302.375	2373675.13	473833.516	1054205.741	1174253.939	1002657.971	3752584.879	661300.9614	353261.852	1240907.763	450410.8071	3205582.117	1824210.443	1289260.9	402787.9973	494542.3857	285086.2814	1364658.679	1220160.251	1602025.374	6187121.539	1238173.209	682650.6786	2936596.136	820035.972	666120.4126	728387.2273	508252.0943	3017725.358	932863.3526	1199418.697	1358604.869	1170652.424	1126755.477	353489.9995	2767675.405	444596.8556	336786.0706	2754697.116	313663.388	1325707.015	2408001.923	369539.894	483639.529	1393223.56	466716.7075	670695.3673	562869.0424	300080.638	860560.1124	1009223.623	351958.2527	1146328.607	1793202.209	943366.2836	848666.5265	1058088.63	851816.2251	353123.9208	1637742.352	665769.1881	350969.244	1111420.108	424022.72	562080.1774	1137306.192	8064536.225	729214.9382	422195.1288	373605.3988	2304090.371	568654.798	848698.84	986248.3713	397929.9064	311424.396	1056058.657	671001.212	455655.55	306950.2089	6104342.867	214566.8175	132565.6924	1258857.889	291933.854	1580527.164	466074.9353	899643.715	936689.1184	939800.3622	400459.467	1820059.756	956760.5721	1992560.5	2063016.507	437366.3444	171986.5428	126748.44	1175235.342	859349.9333	932040.4531	345242.7055	293906.502	1172027.316	245812.4785	901135.0951	539047.043	956438.4993	942036.4424	1148645.387	816635.378	708377.6954	311678.213	1605733.767	323561.6706	3190780.718	357311.8165	1632343.93