Metabolomics Workbench : NIH Data Repository : Analyze Studies

Metabolite structure	F1	F2	F3	F4
[(10-{[2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxo-2H...	9395.17	10427.01	-	-
[10]-Dehydrogingerdione	156988.97	185861.46	-	-
10-Formyltetrahydrofolic acid	2114.55	2189.82	-	-
[10]-Gingerdione	3322.86	5331.98	-	-
10-Hydroxy-2-decenoic acid	91865.24	123641.39	159306.08	155889.54
10-Hydroxydecanoic acid	11660.10	9283.88	-	-
10-Hydroxymyristic acid methyl ester	4538.21	3961.57	-	-
10S,17S-dihydroxy-4Z,7Z,11E,13Z,15E,19Z-docosahexaenoic acid	16237.14	97566.89	-	-
(10S)-Juvenile hormone III acid diol	533443.59	343115.20	-	-
(10S)-Juvenile hormone III diol	44225.24	35202.74	-	-
(10S)-Juvenile hormone III diol phosphate	7586.31	5593.84	-	-
(10Z)-17-(4-amino-3-methylbutyl)-9,27-dihydroxy-6,10,13,27-t...	17889.98	19457.17	-	-
11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide	190880.28	159598.07	35008.50	34017.63
11,13-Dihydrotaraxinic acid glucosyl ester	50686.00	35028.16	-	-
1,11-Undecanedicarboxylic acid	8047.80	5776.61	-	-
1-(11Z-eicosenoyl)-2-docosanoyl-sn-glycerol	13772.71	18525.96	-	-
1-(13Z-docosenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)...	11091.22	10669.47	-	-
11alpha,15S-Dihydroxy-17S,20-dimethyl-9-oxoprosta-2E,13E-die...	51409.84	44122.69	-	-
11beta,12alpha-Diacetoxyneotecleanin	4112.56	3814.35	-	-
11beta-Chloromethylestradiol	1524.07	912.69	-	-
1,1-Bis(4-hydroxyphenyl)ethane	33049.30	26094.65	-	-
11-(Dansylamino)undecanoic acid	3842.59	2309.18	-	-
11-deoxy PGE1	4837.62	5621.53	-	-
11-deoxy-PGE2	11909.59	9806.32	-	-
1,1-Dimethoxynonane	14072.51	15524.04	-	-
11-Epimisoprostol	3778.83	2428.69	-	-
11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.0(2),.0...	7825.70	5118.67	-	-
(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid	16060.08	8504.17	-	-
11-Keto-beta-boswellic acid	49842.34	46706.46	-	-
11-keto-TXB2	4700.60	3626.28	11552.73	11338.08
11-Oxo-prosta-5Z,12E,14Z-trien-1-oic acid	76674.48	68178.47	-	-
11-Oxoursolic acid acetate	21136.43	31830.36	97176.28	93519.30
1-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-3H-indol-...	12596.38	11322.84	7225.01	8743.90
1,1^-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-...	32461.58	23876.91	-	-
11β-13,14-dihydro-15-keto Prostaglandin F2α	10245.37	6753.88	-	-
12,13-DiHOME	183508.27	147236.51	26443.70	20808.36
12(13)Ep-9-KODE	19063.42	3883.28	-	-
1,2,3-Propanetricarboxylic acid	14420.04	11628.48	-	-
1,2,4,5-Tetrahydro-3-benzothiepin-1-one	6211.50	9734.70	-	-
1-(2-(4-Fluorophenoxy)phenyl)-N-methylmethanamine	3616.33	2993.09	-	-
1,2,5-Oxadiazole-3,4-dicarboxylic acid	1969.68	1563.31	-	-
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-...	51391.68	38211.66	-	-
12a-Hydroxy-3-oxocholadienic acid	36038.59	31665.56	-	-
12a-HYDROXY-5-DEOXYDEHYDROMUNDUSERONE	8662.58	10368.88	-	-
12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-on...	22957.30	19895.67	-	-
12alpha-Hydroxy-13,18-dehydroparain	4262.75	3184.07	-	-
1,2-bis(Heptanoylthio)glycerophosphocholine	20312.04	15870.14	-	-
1,2-Dihydrovomilenine	3046.25	5397.01	-	-
1,2-Dihydroxynaphthalene-6-sulfonate	17205.36	11676.49	-	-
1,2-Dioleoyl-sn-glycero-3-phospho-(1^-myo-inositol)	14749.93	12007.98	166324.90	156396.56
1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine	8882.30	8341.45	-	-
1,2-Diphenylhydrazine	56975.67	64008.47	-	-
1,2-Docosahexanoyl-sn-glycero-3-phosphocholine	2313.91	1134.51	-	-
(12E)-16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dim...	2440.67	1907.61	-	-
1,2-Ethanediol, 1-(4-hydroxy-3-methoxyphenyl)-, (R)-	18115.55	15040.35	-	-
12-Ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d	43089.70	36162.56	-	-
12-Ethyl-8-isobutylbacteriochlorophyllide e	8389.60	5948.02	-	-
12-HOME	16702.30	12108.05	1911.68	1135.25
1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramet...	10614.15	9136.14	-	-
1-(2-Hydroxy-4-methoxyphenyl)-3-phenylpropan-1-one	13511.40	13254.36	-	-
12-Hydroxyjasmonic acid	21663.93	21231.51	9183.28	8675.00
12-Methyltetradecanoic acid	11438.58	7159.65	-	-
12-Methyltridecanoic acid	2433.92	1854.80	-	-
[1-[[(2S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethy...	1792.30	1643.37	-	-
12-trans-Hydroxy juvenile hormone III	5131.49	3151.86	-	-
(±)13(14)-DiHDPE(A)	95020.44	81545.91	-	-
13,14-dihydro-15-keto PGD2	5175.71	3763.51	-	-
13,14-Dihydro-15-keto-PGE2	9356.00	8011.84	-	-
13,14-Dihydro-15-keto prostaglandin F2alpha isopropyl ester	6666.08	4999.99	-	-
13,14-dihydro-15(R)-Prostaglandin E1	4805.39	2994.52	-	-
13,14-Dihydro-16,16-difluoroprostaglandin D2	4925.94	4384.11	-	-
13-(2-Methylcrotonoyl)oxylupinine	8842.86	5200.18	-	-
1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol	7799.63	5197.75	-	-
1,3,6-Trihydroxy-8-(3-methylbutyl)anthraquinone	3209.87	4438.11	-	-
1,3,6-Trihydroxy-8-n-propylanthraquinone	4956.30	4355.72	-	-
1-[3-carboxylato-3-[(3-carboxylato-3-hydroxypropyl)azaniumyl...	4989.03	3211.67	-	-
1-(3-Cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-car...	38583.75	43115.62	-	-
13-Deoxycarminomycin	4733.80	6003.64	-	-
1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone	18071.41	17224.13	-	-
13-HOTE	6865.96	4834.03	-	-
[1-(3-hydroxy-5-methoxyphenyl)-2-(2-hydroxyphenyl)ethoxy]sul...	7160.82	7504.97	-	-
13-Hydroxy-6,9,11-octadecatrienoic acid	2541.41	2579.91	-	-
13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid	17431.54	23107.92	-	-
13^-Hydroxy-gamma-tocopherol	4904.80	7046.60	-	-
13-L-Hydroperoxylinoleic acid	90365.41	104984.12	-	-
13(R)-HODE	15871.60	12137.11	-	-
13(S),14(S)-epoxy Fluprostenol isopropyl ester	16025.78	17367.21	-	-
13(S)-HODE-biotin	22958.46	15938.74	4653.40	5234.57
13-Tetradecynoic acid	3276.20	2158.56	-	-
14(15)-Eet-SI	10722.02	7821.03	-	-
14,15-Epoxyeicosa-5z-enoic acid	4314.72	5264.95	-	-
14,15-Leukotriene C4(ExC4)	4857.08	4221.11	24301.33	24315.84
1-[(4-chlorophenyl)methyl]-3-methyl-1H-thieno[2,3-c]pyrazole...	3661.25	2479.55	-	-
1-(4-Fluorophenyl)-3-(1,3-thiazol-2-yl)urea	1879.35	1345.06	-	-
1-(4-Fluorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea	2108.70	2147.27	-	-
1-(4-fluorophenyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quino...	1516.17	1553.50	-	-
1-[(4-Fluorophenyl)sulfonyl]-4-piperidinecarboxylic acid	3014.84	3841.60	-	-
14-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9...	11760.39	12703.17	-	-
1-(4-hydroxy-3-methoxyphenyl)-3-(5-methoxy-2,2-dimethyl-2H-c...	5402.47	6372.74	-	-
14-Hydroxyclarithromycin	5170.96	4994.10	-	-
1-((4-Methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluoroph...	2310.49	4254.88	3476.43	3349.76
1,4-Naphthalenediamine	2273.03	1641.67	-	-
1-[5-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3,4-dihydro...	7012.31	7745.83	-	-
15-Acetyl-4-deoxynivalenol	6981.07	5759.48	-	-
1,5-Anhydro-D-fructose	12791.29	10781.85	-	-
15-cyclohexyl pentanor Prostaglandin F2alpha	42390.20	45918.05	-	-
15-deoxy--12,14-PGJ2-d4	8895.13	7114.32	-	-
1,5-Dioxaspiro[5.5]undecan-3-ol, 10-methyl-7-(1-methylethyl)...	3587.10	4103.56	-	-
1,5-Diphenylcarbazide	123924.22	90236.43	-	-
1-[5-Ethyl-2-hydroxy-4-[[6-methyl-6-(1H-tetrazol-5-YL)heptyl...	27299.15	17427.31	74209.91	83007.84
15-Hydroxy-5,8,11,13-eicosatetraenoic acid	29079.79	23389.98	-	-
15-methyl-15S-PGE2	20556.81	16366.02	-	-
1,5-Naphthalenediamine	54310.51	48369.70	-	-
15(R)-15-methyl Prostaglandin A2	35147.06	22628.57	-	-
15(S)-15-methyl-PGD2	5327.63	5990.30	-	-
15(S)-15-methyl PGF2 ethyl amide	17463.56	14984.57	-	-
15(S)-HETE-biotin	15476.34	11997.63	-	-
15(S)-HETE Ethanolamide	6009.28	9131.75	-	-
15S-hydroperoxy-11Z,13E-eicosadienoic acid	4365.35	7183.41	-	-
1-(5-Trifluoromethyl-[1,3,4]thiadiazol-2-yl)-piperazine	3036.46	2796.59	-	-
16,16-dimethyl-6-keto Prostaglandin E1	18709.24	9602.40	-	-
16,16-Dimethylprostaglandin A1	29924.28	29767.65	1851.71	968.55
16,17-(3^,2^-Quinolino)androst-5-en-3beta-ol	2398.76	1108.97	-	-
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one	42053.73	16158.73	-	-
1,6,8-Trimethylallantoate	2948.89	1561.83	-	-
16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal wit...	19130.22	17788.19	7984.08	8550.23
16alpha-Bromo-17beta-estradiol	15181.01	23166.26	-	-
16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one	2292.19	2340.33	-	-
16-HDoHE	6941.48	5090.83	-	-
16-Hydroxyhexadecanoic acid	21460.41	23167.32	4487.63	3227.72
16-phenoxy tetranor PGF2 cyclopropyl methyl amide	2136.48	1105.47	-	-
16-phenoxy tetranor Prostaglandin F2alpha	49876.38	55653.38	-	-
16-phenyl tetranor Prostaglandin E1	8588.28	5721.66	-	-
1-(6Z,9Z,12Z-octadecatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-doco...	18161.24	16530.26	-	-
1-(6Z,9Z,12Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosape...	4009.55	5958.93	-	-
17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione	3984.40	1811.59	-	-
17-(4-Hydroxyphenyl)heptadecanoic acid	2506.05	2256.22	-	-
17a-Aza-D-homoandrost-5-en-3beta-ol	4129.49	2328.85	-	-
(17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene...	119401.19	100338.99	-	-
17beta-Estradiol 3-(beta-D-glucuronide)	10548.63	8042.44	-	-
1,7-Bis(4-hydroxyphenyl)-3-heptanone	74248.01	70135.95	7737.29	5702.24
1,7-Bis(4-hydroxyphenyl)-5-methoxy-3-heptanone	2508.27	1512.01	-	-
1,7-Diphospho-1-epi-valienol	40641.07	33477.23	-	-
17-keto-4(Z),7(Z),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic Ac...	5811.81	3938.12	-	-
17-phenoxy trinor Prostaglandin F2	7984.99	6277.89	-	-
17-phenyl trinor Prostaglandin A2	3715.09	2913.16	-	-
17-trifluoromethylphenyl-13,14-dihydro trinor PGF2	21078.09	23803.31	-	-
17-U-46619	12407.42	10509.93	-	-
18-carboxy dinor Leukotriene B4	10608.26	17965.98	-	-
1,8-Diazacyclotetradecane-2,9-dione	21896.09	34781.90	-	-
1-(8Z,11Z,14Z-eicosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docos...	3076.70	3404.25	-	-
1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetrae...	11974.61	4353.15	-	-
19-[(2S,3S)-3,6-Dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-eth...	13669.20	17617.21	-	-
19-hydroxy-17-oxoandrost-5-en-3-yl sulfate	24195.65	27995.26	-	-
19-Hydroxycinnzeylanol 19-glucoside	25362.33	17233.37	-	-
19(R)-hydroxy-PGB2	8245.81	7263.36	-	-
19R-hydroxy-PGF1alpha	14433.20	11027.88	-	-
19(S)-HETE	32593.20	29731.88	-	-
1-(9Z,12Z-octadecadienoyl)-2-docosanoyl-sn-glycerol	3060.88	2488.85	6843.44	6872.13
1-(9Z-octadecenoyl)-2-(9Z-tetradecenoyl)-glycero-3-phosphate	13077.46	6918.68	-	-
1-(9Z-octadecenoyl)-2-octadecanoyl-glycero-3-phosphate	5890.56	2934.22	-	-
1a,3,5,6,7,7a-Hexahydro-5-methyl-1a-(3-methyl-2-butenyl)-2H-...	12906.01	10091.61	-	-
1-aci-nitro-2-(1H-indol-3-yl)ethane	10998.51	10024.68	-	-
1-Amino-2-methylanthraquinone	64591.37	48708.26	-	-
1-Aminocyclohexanoic acid	63086.72	114880.82	127363.72	132742.25
(1aR,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8...	6988.36	7246.45	1863.54	2443.61
(1beta)-9alpha,10beta-Diacetoxy-5alpha-cinnamoyloxytaxa-4(20...	13713.20	11506.80	-	-
1beta-Acetoxy-6-drimen-8alpha,11alpha-diol	27192.44	28757.32	-	-
1-Boc-2-(4-nitrobenzenesulfonyl)hydrazine	2150.99	2529.65	-	-
1-Bromo-3-(butane-1-sulfinyl)benzene	5852.33	3670.50	257733.62	256035.10
(1-Butyl-2-methyl-1H-indol-3-yl)-1-naphthalenylmethanone	4540.90	3500.83	-	-
1-(Butylamino)-3-phenoxypropan-2-ol	1769.14	1338.70	-	-
1-Caffeoyl-beta-D-glucose	101781.89	98177.26	8309.93	8164.65
1-Carboxy-5-methylphenazine-5-ium	3155.95	3049.59	-	-
1-(Chloromethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]unde...	2697.11	2995.05	-	-
1-cyclohexyl-3-[3-(1H-imidazol-1-yl)propyl]thiourea	9580.41	7006.94	-	-
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside ...	17959.97	22144.27	-	-
1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside	1809.67	973.60	2738.49	2964.53
1D-myo-Inositol 3,4-bisphosphate	1873.56	2144.68	-	-
1-docosanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoeth...	5388.31	6648.05	-	-
(1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-...	5583.63	7525.18	-	-
(1E,3Z)-1-(3,4-dihydroxyphenyl)-3-hydroxydeca-1,3-dien-5-one	3737.04	2954.80	-	-
1-eicosanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate	35063.70	22837.63	-	-
1-eicosanoyl-2-(15Z-tetracosenoyl)-sn-glycero-3-phosphoethan...	4012.94	2763.26	-	-
1-Erucoyl-2-arachidonyl-sn-glycerol	1535.80	2003.80	-	-
1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic...	1488.61	1619.08	-	-
1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-...	3423.87	3188.68	-	-
1-heptadecanoyl-sn-glycerol 3-phosphate	3392.33	3865.16	-	-
1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero...	2813.06	2089.80	3365.43	3676.49
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosp...	5636.25	5138.77	8990.92	8295.69
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserin...	17099.85	15480.47	34365.24	34787.24
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate	1791.09	1635.65	-	-
(1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone	2544.62	1891.45	-	-
1H-Indole-3-carboxylic acid,1-(5-fluoropentyl)-	2443.99	1525.96	-	-
(1-Hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl)phosphonic ...	8146.76	5266.13	-	-
1-(Methylsulfonyl)piperidine-3-carbohydrazide	84.13	125.88	-	-
1-octadecanoyl-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethano...	8748.02	7441.02	-	-
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate	49696.31	44070.97	-	-
1-O-Galloylpedunculagin	6967.23	5375.63	-	-
1-O-Hexadecyl-2-O-ethyl-SN-glycero-3-phosphorylcholine	18979.43	14707.80	-	-
1-Oleoylglycerone 3-phosphate	18303.58	11779.75	-	-
1-Oleoyl lysophosphatidic acid sodium salt	6048.80	5261.73	4420.43	2343.29
1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone	38070.91	24876.24	-	-
1-Palmitoyl-2-(1-enyl-palmitoyl)-sn-glycero-3-phosphocholine	2016.59	3049.44	-	-
1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate	6008.81	10852.28	-	-
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphate	18647.70	27950.91	-	-
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine	7123.68	6333.71	12351.98	12179.16
1-Palmitoyl-2-vernoloyl-phosphatidylcholine	11832.24	6724.21	-	-
1-Palmitoylglycerol 3-phosphate	45911.66	36058.32	-	-
1-pentadecanoyl-2-(11Z-eicosenoyl)-glycero-3-phosphocholine	6211.41	3476.45	-	-
1-pentadecanoyl-2-(9Z-octadecenoyl)-glycero-3-phosphoethanol...	10886.09	3998.95	-	-
1-pentadecanoyl-2-(9Z-tetradecenoyl)-glycero-3-phosphoethano...	2994.21	3719.45	-	-
1-Pentyl-2-methyl-3-(1-naphthoyl)indole	2669.39	1389.96	-	-
1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one	6460.77	6575.15	-	-
(1R,13S,14Z,19S,21S)-14-(2-hydroxyethylidene)-4,5-dimethoxy-...	7488.83	9058.93	-	-
(1R,14R)-14-(ethylsulfanyl)-1-fluoro-17-hydroxy-2,15-dimethy...	18979.96	20733.03	-	-
(1R)-2,3,3a,8b-Tetrahydro-1alpha-acetoxy-8bbeta-hydroxy-6,8-...	3138.94	2455.17	-	-
[(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R...	20879.26	21379.03	-	-
[(1R,2R,6R,10S,11R,13S,15R,17R)-13-Benzyl-6-hydroxy-4,17-dim...	1669.93	1466.94	-	-
[(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-...	3562.11	3015.37	-	-
(1R,2S,4S,6R,7S,8R,9S,12S,13S,18S)-6-methoxy-7,9,13-trimethy...	12893.45	8334.85	-	-
(1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol	4081.48	3492.47	-	-
[(1R,3S,4R,8R,9E,13R,15R)-15-hydroxy-5-methylidene-6-oxo-7,1...	16875.84	13424.65	-	-
[(1R,3S,4R,8R,9Z,13R,15S)-15-hydroxy-5-methylidene-6-oxo-7,1...	18643.58	17239.42	-	-
(1R,3S,5R,11S,12S,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35...	10348.70	10196.06	-	-
(1R,4aR)-8,8-dimethyl-2-oxospiro[4a,6a,7,9-tetrahydro-4H-pen...	4127.12	3727.06	-	-
(1R,6E)-1beta,2alpha,3abeta,11beta,13alpha-Pentaacetoxy-2,5a...	4814.41	2366.77	-	-
(1R,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylat...	34235.41	23313.16	-	-
(1R,6S,7S)-9-[(Z)-2-Methoxycarbonyl-3-methylbut-1-enyl]-5,5-...	3901.92	5808.60	-	-
(1R,8S,9S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2...	1510970.60	1884976.07	2994.77	3102.21
(1S,12S,13S,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3...	2889.49	3089.49	-	-
(1S,2R,4R,5S,7S,11S,15R,16S)-4,5-dihydroxy-2,16-dimethyl-15-...	3754.85	7729.51	-	-
(1S,2R,5S)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxym...	11235.42	8430.67	-	-
(1S,2S,3R,4S)-2-[(Benzoyloxy)methyl]-5-cyclohexene-1,2,3,4-t...	2589.90	2552.94	-	-
[(1S,2S,3R,5S,8R,9R,10R)-2-acetyloxy-1,9,10-trihydroxy-8,12,...	4412.75	3701.19	-	-
[(1S,2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-3,8-dihy...	1166.92	1069.24	-	-
(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol	20099.52	16214.47	-	-
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8...	16634.14	13249.20	-	-
(1S,2S,6S,7S,9R,14S,16S,17R)-14,16-dihydroxy-4,15-dimethoxy-...	7475.57	7482.13	-	-
[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R...	5253.68	5784.02	-	-
(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-15-[(2S,3R,5S)-3,5-dihyd...	33462.75	38211.22	-	-
[(1S,3S,5S,8S,10S)-10,14-dihydroxy-8,12,15,15-tetramethyl-4-...	9733.73	6002.98	-	-
(1S,3Z,5R,7R)-3-[(3,4-dihydroxyphenyl)-hydroxy-methylene]-1-...	13344.58	8874.22	-	-
[(1S,4aS,7S,7aR)-4-(acetyloxymethyl)-7-methyl-1,4a,5,6,7,7a-...	40461.60	41276.46	-	-
(1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetox...	9586.80	5334.91	-	-
(1S,4E,5^R,6R,6^R,7S,8R,10S,11R,12R,14R,15R,16S,18E,20E,22S,...	19745.22	36779.69	-	-
(1S,9S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,...	93166.52	60988.87	-	-
(1S-endo)-5-(4-Chloro-3-methylphenyl)-1-((4-methylphenyl)met...	22167.83	22369.04	-	-
1-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimid...	12802.36	10043.58	-	-
1-Tetradecanoyl-2-hexadecanoyl-glycero-3-phosphoserine	2891.76	6065.74	-	-
1-Tridecene-3,5,7,9,11-pentayne	16397.06	17804.98	-	-
20-Carboxy-leukotriene B4	61000.58	48648.84	-	-
(20E)-7-butyl-11,16,23,24,25-pentahydroxy-10,19,20-trimethyl...	16016.23	12573.48	-	-
20-HETE	29421.97	26040.28	-	-
20-HETE ethanolamide	17469.07	8741.27	12626.23	13792.02
(20S)-17,20-dihydroxypregn-4-en-3-one	8354.35	6219.47	-	-
(20S)-Cholesta-5-ene-3beta,17,20-triol	3237.60	4359.32	-	-
20-trifluoro Leukotriene B4	5012.32	2725.88	-	-
2-[(1-{3-[4-(Biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-...	27142.30	16632.45	2624.67	2459.05
2-(1H-benzimidazol-2-yl)quinoline	1957.46	2104.86	-	-
2(1H)-Pyrimidinethione, tetrahydro-1-methyl-	13246.13	8293.37	-	-
2-[2-[19-Acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydr...	3576.39	2958.00	-	-
2-[[2-[[2-[(2-Amino-3-phenylpropanoyl)amino]acetyl]amino]-3-...	1809.98	1390.04	-	-
2-[2-[(2E,3aS,4S,5R,6aS)-Hexahydro-5-hydroxy-4-[(3S,4S)-3-hy...	603221.68	560690.91	-	-
2,2^,3,3^,4,5^,6-Heptabromodiphenyl ether	4257.50	1746.46	-	-
2-(2,4-Difluorophenoxy)acetohydrazide	1340.38	1540.38	-	-
2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-4-methyl...	4061.09	4486.74	-	-
2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-be...	2793.86	3042.63	-	-
2-[(2-Amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid	40370.02	33659.50	-	-
22-Angeloylbarringtogenol C	8756.36	6611.08	-	-
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-o...	3054.91	3412.78	-	-
2^,2^-Difluorodeoxyuridine	1401.69	3389.89	-	-
2,2^-Dihydroxy-3,3^,4,4^,7,7^-hexamethoxy-9,9^,10,10^-tetrah...	1494.08	866.31	-	-
2,2-Dimethylglutaric acid	11654.93	8858.82	-	-
2-[2-hydroxy-4-methoxy-3-(sulfooxy)phenyl]propanoic acid	3382.91	7182.32	-	-
22-Hydroxydocosanoic acid	4778.19	3632.82	-	-
2-(2-hydroxyphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione	3736.44	2963.56	-	-
2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene	10896.81	11482.61	-	-
2-[(3-{4-[(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methox...	1719.31	1694.57	-	-
2,3,4,7,8,9,15,22,23,28-decahydroxy-14-(hydroxymethyl)-13,25...	23881.37	18432.73	-	-
2-[(3,4-Difluorophenyl)formamido]acetic acid	5326.11	3661.39	-	-
2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-1-[2,4,6-t...	6492.25	10405.89	-	-
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-2,3-dihyd...	10946.47	7419.84	-	-
2,3-bis-O-(geranylgeranyl)-sn-glycero-3-phospho-L-serine(1-)	1734.06	1969.00	-	-
2-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide	13457.14	8050.13	-	-
2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol	150921.03	176932.04	-	-
2,3-Dihydroxycyclopentaneundecanoic acid	30189.38	28075.51	-	-
2,3-Dihydroxynaphthalene	9593.30	14462.82	-	-
2,3-dinor,6-keto-PGF1	9625.29	7469.73	-	-
2,3-dinor Thromboxane B1	10513.08	6290.70	-	-
2,3-Dinor-TXB2	9989.10	3832.88	-	-
2-(3-Fluorophenyl)benzonitrile	7498.43	6552.93	-	-
2(3H)-Furanone, 3-(((2S,3R)-2,3-dihydro-2-(4-hydroxy-3-metho...	7822.28	7313.27	-	-
2-(3-Hydroxy-4,5-dimethoxyphenyl)-5-[8-hydroxy-7-methoxy-2-(...	1983.41	1451.82	-	-
23-O-Acetylshengmanol-3-o-alpha-L-arabinoside	6132.28	5294.09	-	-
2-(3-(Trifluoromethyl)benzamido)acetic acid	9728.53	7235.51	-	-
2-[(4-{[([1,1^-Biphenyl]-4-yl)methyl]amino}-6-chloropyrimidi...	1850.15	1242.86	-	-
2-[4-[2-[(2,4-Difluorophenyl)carbamoyl-heptylamino]ethyl]phe...	10658.20	15439.83	-	-
2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethy...	5087.49	5152.10	-	-
24,25-Epoxywithanolide D	83424.59	120177.91	-	-
2-(4-{3-[2-(trifluoromethyl)-4a,9a-dihydro-9H-thioxanthen-9-...	14046.39	9806.10	-	-
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-g...	9662.21	8339.47	-	-
2-{4-[4-{3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)...	3571.69	9621.62	-	-
2-(4,4-Difluorocyclohexyl)acetic acid	4122.21	3987.34	-	-
2,4,6-Trihydroxy-5-[1-(4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,...	8068.58	6967.82	-	-
2^,4^,6^-Trihydroxydihydrochalcone	14725.30	11354.53	-	-
2-(4-Acetylpiperazin-1-yl)ethanethioamide	34924.01	30846.12	-	-
2-(4-Aminophenoxy)naphthalene	5560.41	4800.25	-	-
2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[(E)-2-phenylet...	1680.11	1606.03	-	-
2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-...	8144.42	6392.86	-	-
2,4-Dichlorobenzyl carbamimidothioate	6813.20	11265.50	13053.63	11375.86
2,4-Difluorobenzylamine	10514.68	8517.16	-	-
[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]-[(1R,2R,6S...	1351.27	1368.87	-	-
2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-gl...	7979.40	5827.08	-	-
2,4-Dihydroxybenzophenone	14301.22	9535.10	15428.99	15287.59
(2,4-dihydroxyphenyl)-[(1R,2S,6S)-6-(2,4-dihydroxyphenyl)-2-...	9031.19	8026.80	-	-
2,4-Dimethylphenol	4740.09	3884.29	-	-
2,4-Dinitro-3^-nitrodiphenyl ether	4278.19	1422.81	-	-
2,4-Dinitrophenol	2973.62	2452.96	-	-
(24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanos...	26144.66	19868.68	-	-
[2-[4-Hydroxy-2,5-bis(hydroxymethyl)-3-(3-methylbutanoyloxy)...	6336.15	3011.62	-	-
2-[4-Hydroxy-3-(sulfooxy)phenyl]acetic acid	58807.31	50639.26	-	-
2-(4-Hydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4-(4-hydroxystyr...	23287.06	34571.01	-	-
2-((4-Methoxy-3-methyl-2-pyridylmethyl)sulfo)-5-trifluoromet...	15975.00	13404.18	-	-
25-Cinnamoyl-vulgaroside	11159.75	8035.57	-	-
2,5-Diaminobenzene-1,4-diol	2986.00	2345.04	-	-
2,5-Dihydroxybenzaldehyde	3046.73	2383.53	-	-
2-[(5-hydroxy-1-oxo-1H-isochromen-3-yl)formamido]acetic acid	25530.27	15355.37	-	-
25-Hydroxyvitamin d3-26,23-lactone	20158.20	18035.13	-	-
2-(5-iodo-2-methyl-1H-indol-3-yl)ethanamine	72726.34	86431.92	-	-
25-O-Desacetyl rifabutin	10594.34	5508.45	-	-
2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]...	8255.40	7437.66	-	-
2,6-beta-delta-Fructan	6037.86	4746.86	-	-
2,6-Dihydroxypseudooxynicotine	10451.20	18787.56	-	-
2,6-Dimethylhexestrol	1800.48	1026.69	-	-
26-Hydroxy-24-epi-brassinolide	49711.45	53329.54	-	-
26-Hydroxyecdysone	34899.06	45781.11	-	-
2^,7-Dihydroxy-4^-methoxy-8-prenylflavan 2^,7-diglucoside	44543.44	32292.92	-	-
2-[[7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxyme...	31411.40	20909.82	-	-
2-[(7-hydroxy-1-oxo-1H-isochromen-3-yl)formamido]acetic acid	15886.67	14288.07	-	-
27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol	17275.38	17432.90	-	-
2-Acetamidophenol	6392.54	10371.93	-	-
2-Acetamidophenyl phenyl sulfide	8845.53	8013.95	-	-
2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-mannopyranose	18108.24	24036.11	-	-
2-(Acetylamino)-4-O-[2-(acetylamino)-4-O-[2-(acetylamino)-2-...	43758.39	28076.28	-	-
2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-...	6812.31	5357.27	-	-
(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-met...	16577.85	19531.63	-	-
2alpha-Hydroxypyracrenic acid	4124.93	3041.86	-	-
2alpha-Methylprogesterone	4319.17	4534.31	-	-
2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline	7423.35	6381.58	-	-
2-Amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-6-eicosenoic ...	7082.66	6475.28	-	-
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1...	2513.72	1477.25	-	-
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1...	17851.24	10271.29	-	-
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[5...	4473.58	2130.86	-	-
2-amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3...	5253.21	4673.27	-	-
2-Aminobenzoic acid	7889.42	6245.12	12893.54	16629.79
2-Aminoethyl dihydrogen phosphate	7539.66	6589.81	-	-
2-Aminoheptanedioic acid	63351.04	55777.10	-	-
2-Aminohexadecanoic acid	61189.54	88804.07	3990.50	3989.25
2-Amino-N-cyclopentyl-6-tert-pentyl-4,5,6,7-tetrahydrobenzo[...	2827.56	2614.44	-	-
2-Aminophenylglyoxylate	1685.09	2275.96	-	-
2-Aminopyridine	7462.15	6317.60	-	-
2^-Apo-beta-carotenal	9849.56	10772.12	-	-
2-azaniumyl-4-{5-[(2S)-2-azaniumyl-2-carboxylatoethyl]-1H-im...	3444.90	2982.72	-	-
2-Azidoethyl 2-Acetamido-2-deoxy-beta-D-glucopyranoside	7056.59	6792.25	-	-
2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid	187858.43	121212.22	-	-
2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbo...	4242.75	4238.26	-	-
2-Benzyl-4-chlorophenol	16254.43	14179.48	-	-
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid	8619.98	3823.04	-	-
2-Butanone, (2,4-dinitrophenyl)hydrazone	3686.07	3378.57	-	-
2-Carboxy-1-[5-(2-carboxy-1-pyrrolidinyl)-2-hydroxy-2,4-pent...	32131.94	27352.79	-	-
2-Carboxy-4-dodecanolide	46126.26	29225.45	-	-
2-Chloro-4-methylphenol	556686.42	492179.50	-	-
2-chloro-N-(1-cyanocyclopentyl)acetamide	2925.72	2470.87	-	-
2-chloro-N-(cyclohexylmethyl)propanamide	1333.56	1094.05	-	-
2-Chloropropyldimethylamine	2695.47	2567.61	-	-
2-Cyclohexyl-2-hydroxy-2-phenylacetic acid	11355.71	7586.58	-	-
2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(p...	11204.29	16083.86	5757.15	6572.80
2D-2,3,5/4,6-pentahydroxycyclohexanone	4809.88	6654.16	-	-
2^-Deamino-2^-hydroxyparomamine	3294.75	2556.06	-	-
2-Decaprenyl-6-methoxy-1,4-benzoquinone	23515.88	25569.77	-	-
2^-Deoxymugineic acid	1347.79	1433.61	-	-
2-Deoxy-scyllo-inosose	4485.41	4047.77	2340.32	2475.29
2-Dodecyl-3-methylbutanedioic acid	105.58	26.17	-	-
2-Dodecylbenzenesulfonic acid	183714.27	182365.77	-	-
(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein	4704.56	4616.75	-	-
(2E)-3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one	18211.14	14742.03	-	-
2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-d...	10509.65	13403.10	-	-
(2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic ac...	3698.20	5549.32	-	-
(2E,6E)-2,6-bis(2-phenylhydrazono)cyclohex-4-ene-1,3-dione	22115.43	16088.68	-	-
(2E,6E)-2,6-bis(pyridin-4-ylmethylene)cyclohexanone	10692.86	8387.40	-	-
2-Formylglutaric acid	38341.19	71140.66	-	-
2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-3,4-dimethoxy...	187174.81	142515.97	-	-
2-Hydroxy-2-phenylpropanoic acid	1963.27	1244.96	-	-
2-[hydroxy-[2-[(Z)-octadec-9-enoyl]oxy-3-[(Z)-tetradec-1-eno...	7599.31	6431.92	-	-
2-Hydroxy-3-methoxystrychnine	1303.37	936.00	-	-
2-Hydroxy-3-methylquinoxaline	28440.61	20768.67	-	-
2^-Hydroxy-4,4^,6^-trimethoxychalcone	29714.15	19278.50	1850.30	2224.71
2-Hydroxydesipramine	37160.43	33333.90	-	-
2-Hydroxyenterodiol	10415.71	8818.22	-	-
2-Hydroxyethanesulfonic acid;6-methyl-7-nitro-5-(piperidin-1...	10364.86	9565.39	-	-
2-Hydroxy-imipramine glucuronide	6294.40	7496.90	-	-
2-Hydroxyisophthalic acid	44623.45	53134.37	-	-
2-(Hydroxymethyl)-6-[(3,4,5-trihydroxy-6-phenylmethoxyoxan-2...	3097.67	1639.77	-	-
2-(Imidazo[1,2-A]pyridin-2-Yl)-N-Phenylacetamide	1821.31	2258.90	-	-
2-Keto-3,6-dideoxy-6-sulfogluconate	5287.76	2990.24	-	-
2-(Methanesulfonylamino)benzonitrile	1696.13	3415.73	-	-
[2-methoxy-4-(3,5,6-trihydroxy-7-sulinooxy-3,4-dihydro-2H-ch...	3491.25	4928.44	-	-
[2-methoxy-4-(3-oxobutyl)phenyl]oxidanesulfonic acid	5026.34	5213.88	-	-
2-Methoxy-5-(trifluoromethoxy)phenol	1501.11	1526.06	-	-
2-Methoxybenzoic acid	8959.49	11068.23	-	-
2-Methoxyestradiol	6991.99	3218.41	-	-
(2-Methyl-3,5-dinitrophenyl)azanium	4162.79	3632.28	-	-
2-Methylbenzoic acid	153516.22	134367.87	-	-
2-Methyl-d-erythritol 2,4-cyclodiphosphate	3862.65	2213.38	-	-
2-Methylglutaric acid	4612.76	3548.41	-	-
2-Methylpropyl 3-hydroxy-2-methylidenebutanoate	59434.22	62402.17	-	-
2-Methylsuccinic Acid	67859.55	52588.11	-	-
2-(Methylthio)-3H-phenoxazin-3-one	1110.99	1033.67	-	-
2^-N-Acetylparomamine	18828.08	26697.37	-	-
2-Naphthalen-2-yl-benzooxazol-5-yl-amine	4880.08	3890.30	-	-
2-Naphthalenecarboxamide, 1-hydroxy-N-[2-(5-hydroxy-1H-indol...	3685.84	2882.94	-	-
2-Naphthalenesulfonic acid	4889.53	2670.80	-	-
2-Naphthalenethiol	5068.74	3996.28	-	-
2-Naphthalenol 2-aminobenzoate	9056.36	7692.29	-	-
2-(N-Methylperfluorooctanesulfonamido)acetic acid	1188.13	978.97	-	-
2-Oxo-4-phosphonobutyrate	9125.20	5799.42	175525.67	171280.28
2-(Phenoxymethyl)-1,3-benzothiazole	4994.97	5942.18	-	-
2-phenyl-amino-N6-endo-norbornyladenine	222574.91	191754.40	-	-
2-Phenylethyl acetate	1788.57	2011.54	-	-
2-phenyl-N-(propan-2-yl)quinoline-4-carboxamide	1982.92	1707.50	-	-
2-Phthalimidoglutaric acid	61331.27	49482.32	-	-
2-Propylglutaric acid	16442.89	12950.74	-	-
(2r)-1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one	31815.26	23823.03	-	-
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3...	5437.86	4325.31	-	-
[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl] tetracosa...	1081.15	675.06	-	-
[(2R)-1-icosanoyloxy-3-phosphonooxypropan-2-yl] 22-methyltet...	5446.75	2779.22	-	-
[(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropan-2-yl]...	2548.43	2487.61	-	-
[(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropan-2-yl]...	5873.40	5262.56	-	-
[(2R)-2-(10-methyldodecanoyloxy)-3-phosphonooxypropyl] icosa...	434515.04	350696.80	-	-
[(2R)-2-(10-methylundecanoyloxy)-3-phosphonooxypropyl] icosa...	6807.50	4716.45	-	-
[(2R)-2-(14-methylhexadecanoyloxy)-3-phosphonooxypropyl] doc...	13213.24	7830.88	-	-
[(2R)-2-(14-methylhexadecanoyloxy)-3-phosphonooxypropyl] ico...	8488.14	7140.59	-	-
(2R)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-...	15477.88	9672.21	-	-
(2R)-2-(3,4,5-trihydroxybenzoyl)oxybutanedioic acid	18070.96	13074.26	-	-
(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-(2-f...	1669.01	1254.30	-	-
(2R)-2alpha-(Hydroxymethyl)-3beta,4alpha,8,10-tetrahydroxy-2...	1859.99	2082.25	-	-
[(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] 22-methyltrico...	3605.72	3068.05	-	-
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] 22-methyltricosano...	4242.79	3165.80	-	-
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] icosanoate	17845.62	10361.27	-	-
(2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-2-azaniumylprop...	4408.25	2899.17	-	-
[(2R)-3-phosphonooxy-2-tridecanoyloxypropyl] 22-methyltricos...	2749.48	1915.08	-	-
[(2R)-3-phosphonooxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-...	26613.27	20395.61	-	-
[(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [[(2R,...	1853.80	1187.13	-	-
(2R,3S)-3-[3-(5-ethyl-2-hydroxyphenyl)-4-hydroxyphenyl]-2-(h...	1115.58	891.87	-	-
[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[[(1R)-1-[(7S)-2-amino-7-m...	12115.83	7602.67	-	-
(2R,4R)-tert-butyl 2-phenyl-4-vinylthiazolidine-3-carboxylat...	2598.70	2681.25	-	-
[(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trim...	5301.41	5352.28	-	-
(2R,4S)-4-Fluoropyrrolidine-2-carboxamide	20644.73	17531.36	-	-
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1R,2R)-2-hydroxy-2,3...	25947.37	22553.52	-	-
[(2S)-1-hydroxy-3-icosanoyloxypropan-2-yl] 19-methylicosanoa...	1985.68	2612.86	-	-
[(2S)-2,3-bis[[(Z)-tetradec-9-enoyl]oxy]propyl] (Z)-hexadec-...	2730.77	2869.02	-	-
(2S)-2-[[4-[(6aR)-3-amino-1-oxo-5,6,6a,7-tetrahydro-4H-imida...	3970.06	1843.30	-	-
[(2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3...	31122.37	33889.00	-	-
[(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tet...	10732.22	11008.34	-	-
[(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tet...	6497.12	4854.02	-	-
[(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tet...	31482.24	28061.54	-	-
[(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tet...	8839.17	8160.15	-	-
(2S)-2alpha-[(E)-2,4,5-Trimethoxystyryl]-3abeta-(4-methoxyph...	5546.19	4682.74	-	-
(2S)-2-amino-8-(oxiran-2-yl)-8-oxooctanoic acid	19327.26	14484.42	-	-
(2S)-2-azaniumyl-3-(7-chloro-1H-indol-3-yl)propanoate	33417.24	25301.07	-	-
(2S)-2-azaniumylpropanoate	7139.84	6210.54	-	-
(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyran...	2217.03	2285.43	-	-
(2S,2^R,3S,3^R,4S)-3,4^,5,7-Tetrahydroxyflavan(2->7,4->...	2473.47	3552.58	-	-
(2S,2^^S,3S,3^^R,4S)-3,4^,5,7-Tetrahydroxyflavan(2->7,4-&...	3912.85	3233.99	-	-
[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-tetradecanoyloxypropyl] (...	16016.16	12790.45	-	-
[(2S)-3-hydroxy-2-(14-methylhexadecanoyloxy)propyl] docosano...	4076.15	5423.00	-	-
[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihyd...	2949.32	2894.96	-	-
[(2S,3R,4S,6R)-2-[[(1S,2R,3R,6E,8S,9S,10S,12R,14E,16S)-3-eth...	4820.91	4077.12	-	-
[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S...	5438.16	4825.24	-	-
(2S)-4-(acetylamino)-2-aminobutanoic acid	13620.20	18797.50	-	-
(2^S)-Deoxymyxol 2^-alpha-L-fucoside	3056.52	1849.41	-	-
2-Undecyl-4(1H)-quinolinone	65778.91	62627.27	-	-
2-Undecyl-thiazolidine-4-carboxylic acid	32942.65	27891.30	-	-
[(2Z)-12-hydroxy-2-(hydroxymethyl)-1-methoxy-11-methyl-7-met...	428877.36	345611.32	-	-
{[(2Z)-2-[(3-hydroxyphenyl)methylidene]heptyl]oxy}sulfonic a...	3204.95	3847.68	-	-
(2Z)-2-[4-[8-[(5E)-5-[carboxy-(4-hydroxyphenyl)methylidene]-...	25076.25	20205.00	-	-
(2Z,4^Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspir...	5171.44	5922.52	-	-
3-(1,1-Dimethyl-2-propenyl)-8-(3-methyl-2-butenyl)xanthyleti...	2791.24	6637.10	-	-
3-[1-[(4-Chlorophenyl)methyl]-5-fluoro-3-methyl-2-indolyl]-2...	22475.70	17521.18	-	-
3,16-DIDEOXYMEXICANOLIDE-3-DIOL	118579.31	107891.58	5518.00	5960.80
[3-[1-Formyl-2-(2-furanyl)ethenyl]]-2-(2-furanyl)-5-(2-furan...	3298.14	5309.56	-	-
3-[2-(3,7-dimethylocta-2,6-dien-1-yl)-3,4,5-trihydroxyphenyl...	4775.86	3405.57	-	-
3-(2,4-Dihydroxyphenyl)propanoic acid	17999.40	15741.99	-	-
3-(2,5-dimethoxyphenyl)propanoic acid	4069.15	4887.22	-	-
3-(2-Benzothiazolyl)-6-methoxycoumarin	1058.85	665.68	-	-
3-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3...	12745.90	10559.15	-	-
3-[[3-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-y...	8073.88	5220.02	-	-
3-(3,3,3-Trifluoropropylsulfanyl)propanoic acid	4151.30	4635.54	-	-
3,3,4,4-tetradeuterio-7-[(1R,2R,3R)-3-hydroxy-2-[(3R)-3-hydr...	10825.08	9597.03	-	-

[(10-{[2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxo-2H...

9395.17

10427.01

-

[10]-Dehydrogingerdione

156988.97

185861.46

-

10-Formyltetrahydrofolic acid

2114.55

2189.82

-

[10]-Gingerdione

3322.86

5331.98

-

10-Hydroxy-2-decenoic acid

91865.24

123641.39

159306.08

155889.54

10-Hydroxydecanoic acid

11660.10

9283.88

-

10-Hydroxymyristic acid methyl ester

4538.21

3961.57

-

10S,17S-dihydroxy-4Z,7Z,11E,13Z,15E,19Z-docosahexaenoic acid

16237.14

97566.89

-

(10S)-Juvenile hormone III acid diol

533443.59

343115.20

-

(10S)-Juvenile hormone III diol

44225.24

35202.74

-

(10S)-Juvenile hormone III diol phosphate

7586.31

5593.84

-

(10Z)-17-(4-amino-3-methylbutyl)-9,27-dihydroxy-6,10,13,27-t...

17889.98

19457.17

-

11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide

190880.28

159598.07

35008.50

34017.63

11,13-Dihydrotaraxinic acid glucosyl ester

50686.00

35028.16

-

1,11-Undecanedicarboxylic acid

8047.80

5776.61

-

1-(11Z-eicosenoyl)-2-docosanoyl-sn-glycerol

13772.71

18525.96

-

1-(13Z-docosenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)...

11091.22

10669.47

-

11alpha,15S-Dihydroxy-17S,20-dimethyl-9-oxoprosta-2E,13E-die...

51409.84

44122.69

-

11beta,12alpha-Diacetoxyneotecleanin

4112.56

3814.35

-

11beta-Chloromethylestradiol

1524.07

912.69

-

1,1-Bis(4-hydroxyphenyl)ethane

33049.30

26094.65

-

11-(Dansylamino)undecanoic acid

3842.59

2309.18

-

11-deoxy PGE1

4837.62

5621.53

-

11-deoxy-PGE2

11909.59

9806.32

-

1,1-Dimethoxynonane

14072.51

15524.04

-

11-Epimisoprostol

3778.83

2428.69

-

11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.0(2),.0...

7825.70

5118.67

-

(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid

16060.08

8504.17

-

11-Keto-beta-boswellic acid

49842.34

46706.46

-

11-keto-TXB2

4700.60

3626.28

11552.73

11338.08

11-Oxo-prosta-5Z,12E,14Z-trien-1-oic acid

76674.48

68178.47

-

11-Oxoursolic acid acetate

21136.43

31830.36

97176.28

93519.30

1-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-3H-indol-...

12596.38

11322.84

7225.01

8743.90

1,1^-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-...

32461.58

23876.91

-

11β-13,14-dihydro-15-keto Prostaglandin F2α

10245.37

6753.88

-

12,13-DiHOME

183508.27

147236.51

26443.70

20808.36

12(13)Ep-9-KODE

19063.42

3883.28

-

1,2,3-Propanetricarboxylic acid

14420.04

11628.48

-

1,2,4,5-Tetrahydro-3-benzothiepin-1-one

6211.50

9734.70

-

1-(2-(4-Fluorophenoxy)phenyl)-N-methylmethanamine

3616.33

2993.09

-

1,2,5-Oxadiazole-3,4-dicarboxylic acid

1969.68

1563.31

-

1-(2,6-Dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-...

51391.68

38211.66

-

12a-Hydroxy-3-oxocholadienic acid

36038.59

31665.56

-

12a-HYDROXY-5-DEOXYDEHYDROMUNDUSERONE

8662.58

10368.88

-

12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-on...

22957.30

19895.67

-

12alpha-Hydroxy-13,18-dehydroparain

4262.75

3184.07

-

1,2-bis(Heptanoylthio)glycerophosphocholine

20312.04

15870.14

-

1,2-Dihydrovomilenine

3046.25

5397.01

-

1,2-Dihydroxynaphthalene-6-sulfonate

17205.36

11676.49

-

1,2-Dioleoyl-sn-glycero-3-phospho-(1^-myo-inositol)

14749.93

12007.98

166324.90

156396.56

1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine

8882.30

8341.45

-

1,2-Diphenylhydrazine

56975.67

64008.47

-

1,2-Docosahexanoyl-sn-glycero-3-phosphocholine

2313.91

1134.51

-

(12E)-16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dim...

2440.67

1907.61

-

1,2-Ethanediol, 1-(4-hydroxy-3-methoxyphenyl)-, (R)-

18115.55

15040.35

-

12-Ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d

43089.70

36162.56

-

12-Ethyl-8-isobutylbacteriochlorophyllide e

8389.60

5948.02

-

12-HOME

16702.30

12108.05

1911.68

1135.25

1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramet...

10614.15

9136.14

-

1-(2-Hydroxy-4-methoxyphenyl)-3-phenylpropan-1-one

13511.40

13254.36

-

12-Hydroxyjasmonic acid

21663.93

21231.51

9183.28

8675.00

12-Methyltetradecanoic acid

11438.58

7159.65

-

12-Methyltridecanoic acid

2433.92

1854.80

-

[1-[[(2S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethy...

1792.30

1643.37

-

12-trans-Hydroxy juvenile hormone III

5131.49

3151.86

-

(±)13(14)-DiHDPE(A)

95020.44

81545.91

-

13,14-dihydro-15-keto PGD2

5175.71

3763.51

-

13,14-Dihydro-15-keto-PGE2

9356.00

8011.84

-

13,14-Dihydro-15-keto prostaglandin F2alpha isopropyl ester

6666.08

4999.99

-

13,14-dihydro-15(R)-Prostaglandin E1

4805.39

2994.52

-

13,14-Dihydro-16,16-difluoroprostaglandin D2

4925.94

4384.11

-

13-(2-Methylcrotonoyl)oxylupinine

8842.86

5200.18

-

1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol

7799.63

5197.75

-

1,3,6-Trihydroxy-8-(3-methylbutyl)anthraquinone

3209.87

4438.11

-

1,3,6-Trihydroxy-8-n-propylanthraquinone

4956.30

4355.72

-

1-[3-carboxylato-3-[(3-carboxylato-3-hydroxypropyl)azaniumyl...

4989.03

3211.67

-

1-(3-Cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-car...

38583.75

43115.62

-

13-Deoxycarminomycin

4733.80

6003.64

-

1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone

18071.41

17224.13

-

13-HOTE

6865.96

4834.03

-

[1-(3-hydroxy-5-methoxyphenyl)-2-(2-hydroxyphenyl)ethoxy]sul...

7160.82

7504.97

-

13-Hydroxy-6,9,11-octadecatrienoic acid

2541.41

2579.91

-

13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid

17431.54

23107.92

-

13^-Hydroxy-gamma-tocopherol

4904.80

7046.60

-

13-L-Hydroperoxylinoleic acid

90365.41

104984.12

-

13(R)-HODE

15871.60

12137.11

-

13(S),14(S)-epoxy Fluprostenol isopropyl ester

16025.78

17367.21

-

13(S)-HODE-biotin

22958.46

15938.74

4653.40

5234.57

13-Tetradecynoic acid

3276.20

2158.56

-

14(15)-Eet-SI

10722.02

7821.03

-

14,15-Epoxyeicosa-5z-enoic acid

4314.72

5264.95

-

14,15-Leukotriene C4(ExC4)

4857.08

4221.11

24301.33

24315.84

1-[(4-chlorophenyl)methyl]-3-methyl-1H-thieno[2,3-c]pyrazole...

3661.25

2479.55

-

1-(4-Fluorophenyl)-3-(1,3-thiazol-2-yl)urea

1879.35

1345.06

-

1-(4-Fluorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea

2108.70

2147.27

-

1-(4-fluorophenyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quino...

1516.17

1553.50

-

1-[(4-Fluorophenyl)sulfonyl]-4-piperidinecarboxylic acid

3014.84

3841.60

-

14-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9...

11760.39

12703.17

-

1-(4-hydroxy-3-methoxyphenyl)-3-(5-methoxy-2,2-dimethyl-2H-c...

5402.47

6372.74

-

14-Hydroxyclarithromycin

5170.96

4994.10

-

1-((4-Methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluoroph...

2310.49

4254.88

3476.43

3349.76

1,4-Naphthalenediamine

2273.03

1641.67

-

1-[5-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3,4-dihydro...

7012.31

7745.83

-

15-Acetyl-4-deoxynivalenol

6981.07

5759.48

-

1,5-Anhydro-D-fructose

12791.29

10781.85

-

15-cyclohexyl pentanor Prostaglandin F2alpha

42390.20

45918.05

-

15-deoxy--12,14-PGJ2-d4

8895.13

7114.32

-

1,5-Dioxaspiro[5.5]undecan-3-ol, 10-methyl-7-(1-methylethyl)...

3587.10

4103.56

-

1,5-Diphenylcarbazide

123924.22

90236.43

-

1-[5-Ethyl-2-hydroxy-4-[[6-methyl-6-(1H-tetrazol-5-YL)heptyl...

27299.15

17427.31

74209.91

83007.84

15-Hydroxy-5,8,11,13-eicosatetraenoic acid

29079.79

23389.98

-

15-methyl-15S-PGE2

20556.81

16366.02

-

1,5-Naphthalenediamine

54310.51

48369.70

-

15(R)-15-methyl Prostaglandin A2

35147.06

22628.57

-

15(S)-15-methyl-PGD2

5327.63

5990.30

-

15(S)-15-methyl PGF2 ethyl amide

17463.56

14984.57

-

15(S)-HETE-biotin

15476.34

11997.63

-

15(S)-HETE Ethanolamide

6009.28

9131.75

-

15S-hydroperoxy-11Z,13E-eicosadienoic acid

4365.35

7183.41

-

1-(5-Trifluoromethyl-[1,3,4]thiadiazol-2-yl)-piperazine

3036.46

2796.59

-

16,16-dimethyl-6-keto Prostaglandin E1

18709.24

9602.40

-

16,16-Dimethylprostaglandin A1

29924.28

29767.65

1851.71

968.55

16,17-(3^,2^-Quinolino)androst-5-en-3beta-ol

2398.76

1108.97

-

1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one

42053.73

16158.73

-

1,6,8-Trimethylallantoate

2948.89

1561.83

-

16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal wit...

19130.22

17788.19

7984.08

8550.23

16alpha-Bromo-17beta-estradiol

15181.01

23166.26

-

16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one

2292.19

2340.33

-

16-HDoHE

6941.48

5090.83

-

16-Hydroxyhexadecanoic acid

21460.41

23167.32

4487.63

3227.72

16-phenoxy tetranor PGF2 cyclopropyl methyl amide

2136.48

1105.47

-

16-phenoxy tetranor Prostaglandin F2alpha

49876.38

55653.38

-

16-phenyl tetranor Prostaglandin E1

8588.28

5721.66

-

1-(6Z,9Z,12Z-octadecatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-doco...

18161.24

16530.26

-

1-(6Z,9Z,12Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosape...

4009.55

5958.93

-

17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione

3984.40

1811.59

-

17-(4-Hydroxyphenyl)heptadecanoic acid

2506.05

2256.22

-

17a-Aza-D-homoandrost-5-en-3beta-ol

4129.49

2328.85

-

(17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene...

119401.19

100338.99

-

17beta-Estradiol 3-(beta-D-glucuronide)

10548.63

8042.44

-

1,7-Bis(4-hydroxyphenyl)-3-heptanone

74248.01

70135.95

7737.29

5702.24

1,7-Bis(4-hydroxyphenyl)-5-methoxy-3-heptanone

2508.27

1512.01

-

1,7-Diphospho-1-epi-valienol

40641.07

33477.23

-

17-keto-4(Z),7(Z),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic Ac...

5811.81

3938.12

-

17-phenoxy trinor Prostaglandin F2

7984.99

6277.89

-

17-phenyl trinor Prostaglandin A2

3715.09

2913.16

-

17-trifluoromethylphenyl-13,14-dihydro trinor PGF2

21078.09

23803.31

-

17-U-46619

12407.42

10509.93

-

18-carboxy dinor Leukotriene B4

10608.26

17965.98

-

1,8-Diazacyclotetradecane-2,9-dione

21896.09

34781.90

-

1-(8Z,11Z,14Z-eicosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docos...

3076.70

3404.25

-

1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetrae...

11974.61

4353.15

-

19-[(2S,3S)-3,6-Dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-eth...

13669.20

17617.21

-

19-hydroxy-17-oxoandrost-5-en-3-yl sulfate

24195.65

27995.26

-

19-Hydroxycinnzeylanol 19-glucoside

25362.33

17233.37

-

19(R)-hydroxy-PGB2

8245.81

7263.36

-

19R-hydroxy-PGF1alpha

14433.20

11027.88

-

19(S)-HETE

32593.20

29731.88

-

1-(9Z,12Z-octadecadienoyl)-2-docosanoyl-sn-glycerol

3060.88

2488.85

6843.44

6872.13

1-(9Z-octadecenoyl)-2-(9Z-tetradecenoyl)-glycero-3-phosphate

13077.46

6918.68

-

1-(9Z-octadecenoyl)-2-octadecanoyl-glycero-3-phosphate

5890.56

2934.22

-

1a,3,5,6,7,7a-Hexahydro-5-methyl-1a-(3-methyl-2-butenyl)-2H-...

12906.01

10091.61

-

1-aci-nitro-2-(1H-indol-3-yl)ethane

10998.51

10024.68

-

1-Amino-2-methylanthraquinone

64591.37

48708.26

-

1-Aminocyclohexanoic acid

63086.72

114880.82

127363.72

132742.25

(1aR,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8...

6988.36

7246.45

1863.54

2443.61

(1beta)-9alpha,10beta-Diacetoxy-5alpha-cinnamoyloxytaxa-4(20...

13713.20

11506.80

-

1beta-Acetoxy-6-drimen-8alpha,11alpha-diol

27192.44

28757.32

-

1-Boc-2-(4-nitrobenzenesulfonyl)hydrazine

2150.99

2529.65

-

1-Bromo-3-(butane-1-sulfinyl)benzene

5852.33

3670.50

257733.62

256035.10

(1-Butyl-2-methyl-1H-indol-3-yl)-1-naphthalenylmethanone

4540.90

3500.83

-

1-(Butylamino)-3-phenoxypropan-2-ol

1769.14

1338.70

-

1-Caffeoyl-beta-D-glucose

101781.89

98177.26

8309.93

8164.65

1-Carboxy-5-methylphenazine-5-ium

3155.95

3049.59

-

1-(Chloromethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]unde...

2697.11

2995.05

-

1-cyclohexyl-3-[3-(1H-imidazol-1-yl)propyl]thiourea

9580.41

7006.94

-

1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside ...

17959.97

22144.27

-

1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside

1809.67

973.60

2738.49

2964.53

1D-myo-Inositol 3,4-bisphosphate

1873.56

2144.68

-

1-docosanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoeth...

5388.31

6648.05

-

(1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-...

5583.63

7525.18

-

(1E,3Z)-1-(3,4-dihydroxyphenyl)-3-hydroxydeca-1,3-dien-5-one

3737.04

2954.80

-

1-eicosanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate

35063.70

22837.63

-

1-eicosanoyl-2-(15Z-tetracosenoyl)-sn-glycero-3-phosphoethan...

4012.94

2763.26

-

1-Erucoyl-2-arachidonyl-sn-glycerol

1535.80

2003.80

-

1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic...

1488.61

1619.08

-

1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-...

3423.87

3188.68

-

1-heptadecanoyl-sn-glycerol 3-phosphate

3392.33

3865.16

-

1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero...

2813.06

2089.80

3365.43

3676.49

1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosp...

5636.25

5138.77

8990.92

8295.69

1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserin...

17099.85

15480.47

34365.24

34787.24

1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate

1791.09

1635.65

-

(1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone

2544.62

1891.45

-

1H-Indole-3-carboxylic acid,1-(5-fluoropentyl)-

2443.99

1525.96

-

(1-Hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl)phosphonic ...

8146.76

5266.13

-

1-(Methylsulfonyl)piperidine-3-carbohydrazide

84.13

125.88

-

1-octadecanoyl-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethano...

8748.02

7441.02

-

1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate

49696.31

44070.97

-

1-O-Galloylpedunculagin

6967.23

5375.63

-

1-O-Hexadecyl-2-O-ethyl-SN-glycero-3-phosphorylcholine

18979.43

14707.80

-

1-Oleoylglycerone 3-phosphate

18303.58

11779.75

-

1-Oleoyl lysophosphatidic acid sodium salt

6048.80

5261.73

4420.43

2343.29

1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone

38070.91

24876.24

-

1-Palmitoyl-2-(1-enyl-palmitoyl)-sn-glycero-3-phosphocholine

2016.59

3049.44

-

1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate

6008.81

10852.28

-

1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphate

18647.70

27950.91

-

1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine

7123.68

6333.71

12351.98

12179.16

1-Palmitoyl-2-vernoloyl-phosphatidylcholine

11832.24

6724.21

-

1-Palmitoylglycerol 3-phosphate

45911.66

36058.32

-

1-pentadecanoyl-2-(11Z-eicosenoyl)-glycero-3-phosphocholine

6211.41

3476.45

-

1-pentadecanoyl-2-(9Z-octadecenoyl)-glycero-3-phosphoethanol...

10886.09

3998.95

-

1-pentadecanoyl-2-(9Z-tetradecenoyl)-glycero-3-phosphoethano...

2994.21

3719.45

-

1-Pentyl-2-methyl-3-(1-naphthoyl)indole

2669.39

1389.96

-

1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one

6460.77

6575.15

-

(1R,13S,14Z,19S,21S)-14-(2-hydroxyethylidene)-4,5-dimethoxy-...

7488.83

9058.93

-

(1R,14R)-14-(ethylsulfanyl)-1-fluoro-17-hydroxy-2,15-dimethy...

18979.96

20733.03

-

(1R)-2,3,3a,8b-Tetrahydro-1alpha-acetoxy-8bbeta-hydroxy-6,8-...

3138.94

2455.17

-

[(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R...

20879.26

21379.03

-

[(1R,2R,6R,10S,11R,13S,15R,17R)-13-Benzyl-6-hydroxy-4,17-dim...

1669.93

1466.94

-

[(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-...

3562.11

3015.37

-

(1R,2S,4S,6R,7S,8R,9S,12S,13S,18S)-6-methoxy-7,9,13-trimethy...

12893.45

8334.85

-

(1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol

4081.48

3492.47

-

[(1R,3S,4R,8R,9E,13R,15R)-15-hydroxy-5-methylidene-6-oxo-7,1...

16875.84

13424.65

-

[(1R,3S,4R,8R,9Z,13R,15S)-15-hydroxy-5-methylidene-6-oxo-7,1...

18643.58

17239.42

-

(1R,3S,5R,11S,12S,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35...

10348.70

10196.06

-

(1R,4aR)-8,8-dimethyl-2-oxospiro[4a,6a,7,9-tetrahydro-4H-pen...

4127.12

3727.06

-

(1R,6E)-1beta,2alpha,3abeta,11beta,13alpha-Pentaacetoxy-2,5a...

4814.41

2366.77

-

(1R,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylat...

34235.41

23313.16

-

(1R,6S,7S)-9-[(Z)-2-Methoxycarbonyl-3-methylbut-1-enyl]-5,5-...

3901.92

5808.60

-

(1R,8S,9S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2...

1510970.60

1884976.07

2994.77

3102.21

(1S,12S,13S,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3...

2889.49

3089.49

-

(1S,2R,4R,5S,7S,11S,15R,16S)-4,5-dihydroxy-2,16-dimethyl-15-...

3754.85

7729.51

-

(1S,2R,5S)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxym...

11235.42

8430.67

-

(1S,2S,3R,4S)-2-[(Benzoyloxy)methyl]-5-cyclohexene-1,2,3,4-t...

2589.90

2552.94

-

[(1S,2S,3R,5S,8R,9R,10R)-2-acetyloxy-1,9,10-trihydroxy-8,12,...

4412.75

3701.19

-

[(1S,2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-3,8-dihy...

1166.92

1069.24

-

(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol

20099.52

16214.47

-

[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8...

16634.14

13249.20

-

(1S,2S,6S,7S,9R,14S,16S,17R)-14,16-dihydroxy-4,15-dimethoxy-...

7475.57

7482.13

-

[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R...

5253.68

5784.02

-

(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-15-[(2S,3R,5S)-3,5-dihyd...

33462.75

38211.22

-

[(1S,3S,5S,8S,10S)-10,14-dihydroxy-8,12,15,15-tetramethyl-4-...

9733.73

6002.98

-

(1S,3Z,5R,7R)-3-[(3,4-dihydroxyphenyl)-hydroxy-methylene]-1-...

13344.58

8874.22

-

[(1S,4aS,7S,7aR)-4-(acetyloxymethyl)-7-methyl-1,4a,5,6,7,7a-...

40461.60

41276.46

-

(1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetox...

9586.80

5334.91

-

(1S,4E,5^R,6R,6^R,7S,8R,10S,11R,12R,14R,15R,16S,18E,20E,22S,...

19745.22

36779.69

-

(1S,9S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,...

93166.52

60988.87

-

(1S-endo)-5-(4-Chloro-3-methylphenyl)-1-((4-methylphenyl)met...

22167.83

22369.04

-

1-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimid...

12802.36

10043.58

-

1-Tetradecanoyl-2-hexadecanoyl-glycero-3-phosphoserine

2891.76

6065.74

-

1-Tridecene-3,5,7,9,11-pentayne

16397.06

17804.98

-

20-Carboxy-leukotriene B4

61000.58

48648.84

-

(20E)-7-butyl-11,16,23,24,25-pentahydroxy-10,19,20-trimethyl...

16016.23

12573.48

-

20-HETE

29421.97

26040.28

-

20-HETE ethanolamide

17469.07

8741.27

12626.23

13792.02

(20S)-17,20-dihydroxypregn-4-en-3-one

8354.35

6219.47

-

(20S)-Cholesta-5-ene-3beta,17,20-triol

3237.60

4359.32

-

20-trifluoro Leukotriene B4

5012.32

2725.88

-

2-[(1-{3-[4-(Biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-...

27142.30

16632.45

2624.67

2459.05

2-(1H-benzimidazol-2-yl)quinoline

1957.46

2104.86

-

2(1H)-Pyrimidinethione, tetrahydro-1-methyl-

13246.13

8293.37

-

2-[2-[19-Acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydr...

3576.39

2958.00

-

2-[[2-[[2-[(2-Amino-3-phenylpropanoyl)amino]acetyl]amino]-3-...

1809.98

1390.04

-

2-[2-[(2E,3aS,4S,5R,6aS)-Hexahydro-5-hydroxy-4-[(3S,4S)-3-hy...

603221.68

560690.91

-

2,2^,3,3^,4,5^,6-Heptabromodiphenyl ether

4257.50

1746.46

-

2-(2,4-Difluorophenoxy)acetohydrazide

1340.38

1540.38

-

2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-4-methyl...

4061.09

4486.74

-

2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-be...

2793.86

3042.63

-

2-[(2-Amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid

40370.02

33659.50

-

22-Angeloylbarringtogenol C

8756.36

6611.08

-

2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-o...

3054.91

3412.78

-

2^,2^-Difluorodeoxyuridine

1401.69

3389.89

-

2,2^-Dihydroxy-3,3^,4,4^,7,7^-hexamethoxy-9,9^,10,10^-tetrah...

1494.08

866.31

-

2,2-Dimethylglutaric acid

11654.93

8858.82

-

2-[2-hydroxy-4-methoxy-3-(sulfooxy)phenyl]propanoic acid

3382.91

7182.32

-

22-Hydroxydocosanoic acid

4778.19

3632.82

-

2-(2-hydroxyphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

3736.44

2963.56

-

2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene

10896.81

11482.61

-

2-[(3-{4-[(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methox...

1719.31

1694.57

-

2,3,4,7,8,9,15,22,23,28-decahydroxy-14-(hydroxymethyl)-13,25...

23881.37

18432.73

-

2-[(3,4-Difluorophenyl)formamido]acetic acid

5326.11

3661.39

-

2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-1-[2,4,6-t...

6492.25

10405.89

-

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-2,3-dihyd...

10946.47

7419.84

-

2,3-bis-O-(geranylgeranyl)-sn-glycero-3-phospho-L-serine(1-)

1734.06

1969.00

-

2-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide

13457.14

8050.13

-

2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol

150921.03

176932.04

-

2,3-Dihydroxycyclopentaneundecanoic acid

30189.38

28075.51

-

2,3-Dihydroxynaphthalene

9593.30

14462.82

-

2,3-dinor,6-keto-PGF1

9625.29

7469.73

-

2,3-dinor Thromboxane B1

10513.08

6290.70

-

2,3-Dinor-TXB2

9989.10

3832.88

-

2-(3-Fluorophenyl)benzonitrile

7498.43

6552.93

-

2(3H)-Furanone, 3-(((2S,3R)-2,3-dihydro-2-(4-hydroxy-3-metho...

7822.28

7313.27

-

2-(3-Hydroxy-4,5-dimethoxyphenyl)-5-[8-hydroxy-7-methoxy-2-(...

1983.41

1451.82

-

23-O-Acetylshengmanol-3-o-alpha-L-arabinoside

6132.28

5294.09

-

2-(3-(Trifluoromethyl)benzamido)acetic acid

9728.53

7235.51

-

2-[(4-{[([1,1^-Biphenyl]-4-yl)methyl]amino}-6-chloropyrimidi...

1850.15

1242.86

-

2-[4-[2-[(2,4-Difluorophenyl)carbamoyl-heptylamino]ethyl]phe...

10658.20

15439.83

-

2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethy...

5087.49

5152.10

-

24,25-Epoxywithanolide D

83424.59

120177.91

-

2-(4-{3-[2-(trifluoromethyl)-4a,9a-dihydro-9H-thioxanthen-9-...

14046.39

9806.10

-

2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-g...

9662.21

8339.47

-

2-{4-[4-{3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)...

3571.69

9621.62

-

2-(4,4-Difluorocyclohexyl)acetic acid

4122.21

3987.34

-

2,4,6-Trihydroxy-5-[1-(4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,...

8068.58

6967.82

-

2^,4^,6^-Trihydroxydihydrochalcone

14725.30

11354.53

-

2-(4-Acetylpiperazin-1-yl)ethanethioamide

34924.01

30846.12

-

2-(4-Aminophenoxy)naphthalene

5560.41

4800.25

-

2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[(E)-2-phenylet...

1680.11

1606.03

-

2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-...

8144.42

6392.86

-

2,4-Dichlorobenzyl carbamimidothioate

6813.20

11265.50

13053.63

11375.86

2,4-Difluorobenzylamine

10514.68

8517.16

-

[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]-[(1R,2R,6S...

1351.27

1368.87

-

2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-gl...

7979.40

5827.08

-

2,4-Dihydroxybenzophenone

14301.22

9535.10

15428.99

15287.59

(2,4-dihydroxyphenyl)-[(1R,2S,6S)-6-(2,4-dihydroxyphenyl)-2-...

9031.19

8026.80

-

2,4-Dimethylphenol

4740.09

3884.29

-

2,4-Dinitro-3^-nitrodiphenyl ether

4278.19

1422.81

-

2,4-Dinitrophenol

2973.62

2452.96

-

(24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanos...

26144.66

19868.68

-

[2-[4-Hydroxy-2,5-bis(hydroxymethyl)-3-(3-methylbutanoyloxy)...

6336.15

3011.62

-

2-[4-Hydroxy-3-(sulfooxy)phenyl]acetic acid

58807.31

50639.26

-

2-(4-Hydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4-(4-hydroxystyr...

23287.06

34571.01

-

2-((4-Methoxy-3-methyl-2-pyridylmethyl)sulfo)-5-trifluoromet...

15975.00

13404.18

-

25-Cinnamoyl-vulgaroside

11159.75

8035.57

-

2,5-Diaminobenzene-1,4-diol

2986.00

2345.04

-

2,5-Dihydroxybenzaldehyde

3046.73

2383.53

-

2-[(5-hydroxy-1-oxo-1H-isochromen-3-yl)formamido]acetic acid

25530.27

15355.37

-

25-Hydroxyvitamin d3-26,23-lactone

20158.20

18035.13

-

2-(5-iodo-2-methyl-1H-indol-3-yl)ethanamine

72726.34

86431.92

-

25-O-Desacetyl rifabutin

10594.34

5508.45

-

2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]...

8255.40

7437.66

-

2,6-beta-delta-Fructan

6037.86

4746.86

-

2,6-Dihydroxypseudooxynicotine

10451.20

18787.56

-

2,6-Dimethylhexestrol

1800.48

1026.69

-

26-Hydroxy-24-epi-brassinolide

49711.45

53329.54

-

26-Hydroxyecdysone

34899.06

45781.11

-

2^,7-Dihydroxy-4^-methoxy-8-prenylflavan 2^,7-diglucoside

44543.44

32292.92

-

2-[[7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxyme...

31411.40

20909.82

-

2-[(7-hydroxy-1-oxo-1H-isochromen-3-yl)formamido]acetic acid

15886.67

14288.07

-

27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol

17275.38

17432.90

-

2-Acetamidophenol

6392.54

10371.93

-

2-Acetamidophenyl phenyl sulfide

8845.53

8013.95

-

2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-mannopyranose

18108.24

24036.11

-

2-(Acetylamino)-4-O-[2-(acetylamino)-4-O-[2-(acetylamino)-2-...

43758.39

28076.28

-

2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-...

6812.31

5357.27

-

(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-met...

16577.85

19531.63

-

2alpha-Hydroxypyracrenic acid

4124.93

3041.86

-

2alpha-Methylprogesterone

4319.17

4534.31

-

2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline

7423.35

6381.58

-

2-Amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-6-eicosenoic ...

7082.66

6475.28

-

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1...

2513.72

1477.25

-

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1...

17851.24

10271.29

-

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[5...

4473.58

2130.86

-

2-amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3...

5253.21

4673.27

-

2-Aminobenzoic acid

7889.42

6245.12

12893.54

16629.79

2-Aminoethyl dihydrogen phosphate

7539.66

6589.81

-

2-Aminoheptanedioic acid

63351.04

55777.10

-

2-Aminohexadecanoic acid

61189.54

88804.07

3990.50

3989.25

2-Amino-N-cyclopentyl-6-tert-pentyl-4,5,6,7-tetrahydrobenzo[...

2827.56

2614.44

-

2-Aminophenylglyoxylate

1685.09

2275.96

-

2-Aminopyridine

7462.15

6317.60

-

2^-Apo-beta-carotenal

9849.56

10772.12

-

2-azaniumyl-4-{5-[(2S)-2-azaniumyl-2-carboxylatoethyl]-1H-im...

3444.90

2982.72

-

2-Azidoethyl 2-Acetamido-2-deoxy-beta-D-glucopyranoside

7056.59

6792.25

-

2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid

187858.43

121212.22

-

2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbo...

4242.75

4238.26

-

2-Benzyl-4-chlorophenol

16254.43

14179.48

-

2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid

8619.98

3823.04

-

2-Butanone, (2,4-dinitrophenyl)hydrazone

3686.07

3378.57

-

2-Carboxy-1-[5-(2-carboxy-1-pyrrolidinyl)-2-hydroxy-2,4-pent...

32131.94

27352.79

-

2-Carboxy-4-dodecanolide

46126.26

29225.45

-

2-Chloro-4-methylphenol

556686.42

492179.50

-

2-chloro-N-(1-cyanocyclopentyl)acetamide

2925.72

2470.87

-

2-chloro-N-(cyclohexylmethyl)propanamide

1333.56

1094.05

-

2-Chloropropyldimethylamine

2695.47

2567.61

-

2-Cyclohexyl-2-hydroxy-2-phenylacetic acid

11355.71

7586.58

-

2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(p...

11204.29

16083.86

5757.15

6572.80

2D-2,3,5/4,6-pentahydroxycyclohexanone

4809.88

6654.16

-

2^-Deamino-2^-hydroxyparomamine

3294.75

2556.06

-

2-Decaprenyl-6-methoxy-1,4-benzoquinone

23515.88

25569.77

-

2^-Deoxymugineic acid

1347.79

1433.61

-

2-Deoxy-scyllo-inosose

4485.41

4047.77

2340.32

2475.29

2-Dodecyl-3-methylbutanedioic acid

105.58

26.17

-

2-Dodecylbenzenesulfonic acid

183714.27

182365.77

-

(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein

4704.56

4616.75

-

(2E)-3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

18211.14

14742.03

-

2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-d...

10509.65

13403.10

-

(2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic ac...

3698.20

5549.32

-

(2E,6E)-2,6-bis(2-phenylhydrazono)cyclohex-4-ene-1,3-dione

22115.43

16088.68

-

(2E,6E)-2,6-bis(pyridin-4-ylmethylene)cyclohexanone

10692.86

8387.40

-

2-Formylglutaric acid

38341.19

71140.66

-

2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-3,4-dimethoxy...

187174.81

142515.97

-

2-Hydroxy-2-phenylpropanoic acid

1963.27

1244.96

-

2-[hydroxy-[2-[(Z)-octadec-9-enoyl]oxy-3-[(Z)-tetradec-1-eno...

7599.31

6431.92

-

2-Hydroxy-3-methoxystrychnine

1303.37

936.00

-

2-Hydroxy-3-methylquinoxaline

28440.61

20768.67

-

2^-Hydroxy-4,4^,6^-trimethoxychalcone

29714.15

19278.50

1850.30

2224.71

2-Hydroxydesipramine

37160.43

33333.90

-

2-Hydroxyenterodiol

10415.71

8818.22

-

2-Hydroxyethanesulfonic acid;6-methyl-7-nitro-5-(piperidin-1...

10364.86

9565.39

-

2-Hydroxy-imipramine glucuronide

6294.40

7496.90

-

2-Hydroxyisophthalic acid

44623.45

53134.37

-

2-(Hydroxymethyl)-6-[(3,4,5-trihydroxy-6-phenylmethoxyoxan-2...

3097.67

1639.77

-

2-(Imidazo[1,2-A]pyridin-2-Yl)-N-Phenylacetamide

1821.31

2258.90

-

2-Keto-3,6-dideoxy-6-sulfogluconate

5287.76

2990.24

-

2-(Methanesulfonylamino)benzonitrile

1696.13

3415.73

-

[2-methoxy-4-(3,5,6-trihydroxy-7-sulinooxy-3,4-dihydro-2H-ch...

3491.25

4928.44

-

[2-methoxy-4-(3-oxobutyl)phenyl]oxidanesulfonic acid

5026.34

5213.88

-

2-Methoxy-5-(trifluoromethoxy)phenol

1501.11

1526.06

-

2-Methoxybenzoic acid

8959.49

11068.23

-

2-Methoxyestradiol

6991.99

3218.41

-

(2-Methyl-3,5-dinitrophenyl)azanium

4162.79

3632.28

-

2-Methylbenzoic acid

153516.22

134367.87

-

2-Methyl-d-erythritol 2,4-cyclodiphosphate

3862.65

2213.38

-

2-Methylglutaric acid

4612.76

3548.41

-

2-Methylpropyl 3-hydroxy-2-methylidenebutanoate

59434.22

62402.17

-

2-Methylsuccinic Acid

67859.55

52588.11

-

2-(Methylthio)-3H-phenoxazin-3-one

1110.99

1033.67

-

2^-N-Acetylparomamine

18828.08

26697.37

-

2-Naphthalen-2-yl-benzooxazol-5-yl-amine

4880.08

3890.30

-

2-Naphthalenecarboxamide, 1-hydroxy-N-[2-(5-hydroxy-1H-indol...

3685.84

2882.94

-

2-Naphthalenesulfonic acid

4889.53

2670.80

-

2-Naphthalenethiol

5068.74

3996.28

-

2-Naphthalenol 2-aminobenzoate

9056.36

7692.29

-

2-(N-Methylperfluorooctanesulfonamido)acetic acid

1188.13

978.97

-

2-Oxo-4-phosphonobutyrate

9125.20

5799.42

175525.67

171280.28

2-(Phenoxymethyl)-1,3-benzothiazole

4994.97

5942.18

-

2-phenyl-amino-N6-endo-norbornyladenine

222574.91

191754.40

-

2-Phenylethyl acetate

1788.57

2011.54

-

2-phenyl-N-(propan-2-yl)quinoline-4-carboxamide

1982.92

1707.50

-

2-Phthalimidoglutaric acid

61331.27

49482.32

-

2-Propylglutaric acid

16442.89

12950.74

-

(2r)-1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one

31815.26

23823.03

-

[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3...

5437.86

4325.31

-

[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl] tetracosa...

1081.15

675.06

-

[(2R)-1-icosanoyloxy-3-phosphonooxypropan-2-yl] 22-methyltet...

5446.75

2779.22

-

[(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropan-2-yl]...

2548.43

2487.61

-

[(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropan-2-yl]...

5873.40

5262.56

-

[(2R)-2-(10-methyldodecanoyloxy)-3-phosphonooxypropyl] icosa...

434515.04

350696.80

-

[(2R)-2-(10-methylundecanoyloxy)-3-phosphonooxypropyl] icosa...

6807.50

4716.45

-

[(2R)-2-(14-methylhexadecanoyloxy)-3-phosphonooxypropyl] doc...

13213.24

7830.88

-

[(2R)-2-(14-methylhexadecanoyloxy)-3-phosphonooxypropyl] ico...

8488.14

7140.59

-

(2R)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-...

15477.88

9672.21

-

(2R)-2-(3,4,5-trihydroxybenzoyl)oxybutanedioic acid

18070.96

13074.26

-

(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-(2-f...

1669.01

1254.30

-

(2R)-2alpha-(Hydroxymethyl)-3beta,4alpha,8,10-tetrahydroxy-2...

1859.99

2082.25

-

[(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] 22-methyltrico...

3605.72

3068.05

-

[(2R)-2-octanoyloxy-3-phosphonooxypropyl] 22-methyltricosano...

4242.79

3165.80

-

[(2R)-2-octanoyloxy-3-phosphonooxypropyl] icosanoate

17845.62

10361.27

-

(2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-2-azaniumylprop...

4408.25

2899.17

-

[(2R)-3-phosphonooxy-2-tridecanoyloxypropyl] 22-methyltricos...

2749.48

1915.08

-

[(2R)-3-phosphonooxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-...

26613.27

20395.61

-

[(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [[(2R,...

1853.80

1187.13

-

(2R,3S)-3-[3-(5-ethyl-2-hydroxyphenyl)-4-hydroxyphenyl]-2-(h...

1115.58

891.87

-

[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[[(1R)-1-[(7S)-2-amino-7-m...

12115.83

7602.67

-

(2R,4R)-tert-butyl 2-phenyl-4-vinylthiazolidine-3-carboxylat...

2598.70

2681.25

-

[(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trim...

5301.41

5352.28

-

(2R,4S)-4-Fluoropyrrolidine-2-carboxamide

20644.73

17531.36

-

(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1R,2R)-2-hydroxy-2,3...

25947.37

22553.52

-

[(2S)-1-hydroxy-3-icosanoyloxypropan-2-yl] 19-methylicosanoa...

1985.68

2612.86

-

[(2S)-2,3-bis[[(Z)-tetradec-9-enoyl]oxy]propyl] (Z)-hexadec-...

2730.77

2869.02

-

(2S)-2-[[4-[(6aR)-3-amino-1-oxo-5,6,6a,7-tetrahydro-4H-imida...

3970.06

1843.30

-

[(2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3...

31122.37

33889.00

-

[(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tet...

10732.22

11008.34

-

[(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tet...

6497.12

4854.02

-

[(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tet...

31482.24

28061.54

-

[(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tet...

8839.17

8160.15

-

(2S)-2alpha-[(E)-2,4,5-Trimethoxystyryl]-3abeta-(4-methoxyph...

5546.19

4682.74

-

(2S)-2-amino-8-(oxiran-2-yl)-8-oxooctanoic acid

19327.26

14484.42

-

(2S)-2-azaniumyl-3-(7-chloro-1H-indol-3-yl)propanoate

33417.24

25301.07

-

(2S)-2-azaniumylpropanoate

7139.84

6210.54

-

(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyran...

2217.03

2285.43

-

(2S,2^R,3S,3^R,4S)-3,4^,5,7-Tetrahydroxyflavan(2->7,4->...

2473.47

3552.58

-

(2S,2^^S,3S,3^^R,4S)-3,4^,5,7-Tetrahydroxyflavan(2->7,4-&...

3912.85

3233.99

-

[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-tetradecanoyloxypropyl] (...

16016.16

12790.45

-

[(2S)-3-hydroxy-2-(14-methylhexadecanoyloxy)propyl] docosano...

4076.15

5423.00

-

[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihyd...

2949.32

2894.96

-

[(2S,3R,4S,6R)-2-[[(1S,2R,3R,6E,8S,9S,10S,12R,14E,16S)-3-eth...

4820.91

4077.12

-

[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S...

5438.16

4825.24

-

(2S)-4-(acetylamino)-2-aminobutanoic acid

13620.20

18797.50

-

(2^S)-Deoxymyxol 2^-alpha-L-fucoside

3056.52

1849.41

-

2-Undecyl-4(1H)-quinolinone

65778.91

62627.27

-

2-Undecyl-thiazolidine-4-carboxylic acid

32942.65

27891.30

-

[(2Z)-12-hydroxy-2-(hydroxymethyl)-1-methoxy-11-methyl-7-met...

428877.36

345611.32

-

{[(2Z)-2-[(3-hydroxyphenyl)methylidene]heptyl]oxy}sulfonic a...

3204.95

3847.68

-

(2Z)-2-[4-[8-[(5E)-5-[carboxy-(4-hydroxyphenyl)methylidene]-...

25076.25

20205.00

-

(2Z,4^Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspir...

5171.44

5922.52

-

3-(1,1-Dimethyl-2-propenyl)-8-(3-methyl-2-butenyl)xanthyleti...

2791.24

6637.10

-

3-[1-[(4-Chlorophenyl)methyl]-5-fluoro-3-methyl-2-indolyl]-2...

22475.70

17521.18

-

3,16-DIDEOXYMEXICANOLIDE-3-DIOL

118579.31

107891.58

5518.00

5960.80

[3-[1-Formyl-2-(2-furanyl)ethenyl]]-2-(2-furanyl)-5-(2-furan...

3298.14

5309.56

-

3-[2-(3,7-dimethylocta-2,6-dien-1-yl)-3,4,5-trihydroxyphenyl...

4775.86

3405.57

-

3-(2,4-Dihydroxyphenyl)propanoic acid

17999.40

15741.99

-

3-(2,5-dimethoxyphenyl)propanoic acid

4069.15

4887.22

-

3-(2-Benzothiazolyl)-6-methoxycoumarin

1058.85

665.68

-

3-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3...

12745.90

10559.15

-

3-[[3-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-y...

8073.88

5220.02

-

3-(3,3,3-Trifluoropropylsulfanyl)propanoic acid

4151.30

4635.54

-

3,3,4,4-tetradeuterio-7-[(1R,2R,3R)-3-hydroxy-2-[(3R)-3-hydr...

10825.08

9597.03

-

3-(3,4,5-Trimethoxyphenyl)propane-1,2-diol

2363.53

1857.32

-

3-(3,4-Dihydroxyphenyl)-1-(3-beta-D-glucopyranosyl-2,4,6-tri...

9870.67

6311.13

-

3-(3,4-dihydroxyphenyl)-N-(2-(3,4-dihydroxyphenyl)ethyl)prop...

107353.24

82393.49

-

3-(3,4-dimethoxyphenyl)-N-[2-(1-hydroxy-3-methoxy-4-oxocyclo...

7313.55

5677.15

-

(3-{3,5-dihydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[2,3-f]chro...

2349.68

4329.05

-

3-(3,7-dihydroxy-5-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)...

3615.01

3352.13

-

3-(3-Hydroxyphenyl)Propionate Acid

395004.73

283530.03

-

3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid

5716.60

4469.22

-

3,4,5-Trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl...

3871.66

2822.00

-

3,4,5-trihydroxy-6-{[(16R)-5,7,11-trihydroxy-8,8,10,16-tetra...

16360.86

8734.49

-

3,4,5-trihydroxy-6-{[(16S)-5,7,11-trihydroxy-8,8,10,12-tetra...

6518.80

3946.49

-

3,4,5-trihydroxy-6-[(2,4,5-trihydroxy-6-{[hydroxy(4-oxocyclo...

1503.86

2091.82

-

3,4,5-trihydroxy-6-{2-[8-(hydroxymethyl)-8-methyl-2-oxo-2H,8...

15338.27

13984.07

-

3,4,5-trihydroxy-6-{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en...

37013.36

26717.06

-

3,4,5-trihydroxy-6-{[5-(4-methoxyphenyl)-3-oxopentyl]oxy}oxa...

5445.68

5447.19

-

3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-ch...

55865.04

44839.86

-

3,4,8,9,10-pentahydroxy-6-oxo-7-{5,11,12,13-tetrahydroxy-4-[...

1595.03

1854.93

-

3-(4-Bromophenyl)-5-(1-chloro-2-methylpropan-2-YL)-1,2,4-oxa...

1477.94

2268.62

-

(+)-3,4-Dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,...

6972.40

5866.90

-

3,4-Dihydro-8,9-dihydroxy-1(2H)-anthracenone

11985.61

14567.00

-

3,4-Dihydroxy-2-butanone-4-phosphate

1509.01

1698.63

10322.58

8142.87

3,4-dihydroxy-2-methyl-4-farnesyl-3H-quinolin-1-ium-1-olate

25388.85

29599.22

-

[3,4-dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-tr...

1414.63

1025.64

-

3,4-Dihydroxybenzeneacetic acid

3548.77

3446.00

-

3,4-Dihydroxymandelaldehyde

47391.73

39779.16

-

3,4-Dihydroxyphenylglycol, (R)-

4062.34

3752.56

-

3^,4^-Dimethoxy-2^-hydroxychalcone

9939.95

8459.52

-

3,4-Dimethoxycinnamic acid

29626.41

29198.96

-

3,4-Hexahydroxydiphenoylarabinose

2086.30

725.64

-

3-(4-Hydroxy-3-methoxyphenyl)propanal

3583.97

4480.00

2197.59

2132.59

3-(4-Hydroxyphenyl)-1-propanol

5327.72

5656.30

-

3-(4-Hydroxyphenyl)chroman-7-ol

117344.22

118092.53

3834.96

3833.94

3-[4-Methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic a...

18921.56

13200.91

-

3,4-Methylenedioxycinnamic acid

7731.00

5729.93

-

3-[(5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

2397.84

1926.64

-

3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyra...

6629.38

7697.19

-

3-(5,8-Dimethoxy-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic ...

3978.71

2612.00

-

3^,5^-Cyclic IMP

37795.70

30683.46

-

3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid

38715.30

24143.73

40314.02

45039.26

3,5-dihydroxy-8-(hydroxymethyl)-8-methyl-2-phenyl-4H,8H-pyra...

7750.32

9117.85

-

3,5-Dimethoxycinnamic acid

6332.96

14244.74

-

3,5-Dinitrocatechol

16650.10

9780.35

-

3,5-Di-tert-butyl-4-hydroxybenzyl alcohol

49008.49

74677.44

114936.49

114658.94

3-[[6-(3-Aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]ph...

11092.65

12342.80

-

3,6-Bis(acetyloxy)-11,12-dihydroxy-5-(4-hydroxyphenyl)-8-oxa...

1788.27

979.10

3518.09

3782.27

3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one

121463.32

105609.17

-

3,6-Dimethylmangostin

3183.84

3787.41

-

3,7-Dihydroxy-12-oxocholanoic acid

39474.61

35299.62

-

(3-{8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-...

2622.28

3195.34

-

(3-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-be...

24335.42

15677.34

-

3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid

7516.99

4139.63

15376.76

15609.19

3-Acetyl-11-keto-beta-boswellic acid

1081.21

924.04

30482.07

29349.56

3A-Deolivosylpremithramycin B

28242.17

19061.33

-

3alpha,7alpha,12alpha,25-Tetrahydroxy-5beta-cholestane-24-on...

37768.68

38253.56

-

3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid

37593.28

37086.12

-

3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate

4445.78

10100.09

-

3alpha-Hydroxy-5beta-pregnane-20-one sulfate

24769.68

13579.33

-

3^alpha-Isopravastatin

35837.15

14383.07

-

(3alphaOH,20S,24S)-3,19:20,24-Diepoxydammarane-3,25-diol

5933.16

7770.08

-

3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole

3087.53

3456.63

-

(3b,16a,20R)-25-Acetoxy-3,16,20,22-tetrahydroxy-5-cucurbiten...

1496.44

1378.49

-

(3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimetho...

10617.00

10270.28

-

3-Benzoyl-6-phenyl-pyran-2,4-dione

5239.68

6017.54

-

3-Benzoyloxy-6-oxo-12-ursen-28-oic acid

9866.96

7493.81

-

(3beta,17alpha,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlan...

54051.71

34293.39

-

3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate

10737.63

6776.35

-

(3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-di...

244093.25

272462.95

-

3beta,7alpha-Dihydroxy-5-cholestenoate

1433.78

1184.52

-

3b-Hydroxy-5-cholenoic acid

61370.33

57971.07

637338.09

649625.77

3-Bromopropyltrimethylaminium

2002.42

2092.27

-

3-Butynyl p-toluenesulfonate

3762.12

4742.20

-

3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid

4084.83

2465.64

-

3D-3,5/4-trihydroxycyclohexane-1,2-dione

4042.51

4104.71

-

3-Decanone

3920.59

2818.19

-

3-Decyl-5,5^-diphenyl-2-thioxo-4-imidazolidinone

47339.26

64173.84

-

3-Dehydro-2-deoxyecdysone

2008.75

2905.70

-

3-Dehydro-scyllo-inosose

1598.13

1485.80

-

3-Demethylubiquinone-9

3977.63

1937.83

-

3-Deoxo-4b-deoxypaxilline

7510.48

6178.64

-

3-Deoxy-D-Lyxo-Heptopyran-2-ularic Acid

33191.87

34416.17

-

3-deoxy-D-manno-octulosonate

5005.65

6685.86

-

3^-Deoxyguanosine

44249.39

37170.24

-

{[(3E)-4-{4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2,6-dihydro...

12913.63

13795.10

-

3-[(E)-Phenyldiazenyl]biphenyl-4-ol

2784.49

3730.04

-

3-ET-5-(2-(3-Ethyl-thiazolidin-2-ylidene)-ethylidene)-2-thio...

1380.80

1378.41

-

3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]qu...

6364.55

6246.64

-

3-Ethylphenyl sulfate

2487.49

2032.70

-

3-Fluoro-2-nitropyridine

8971.13

5658.36

-

3-Hexadecanoyloleanolic acid

8129.00

11336.36

-

3-(Hexadecyloxy)-2-hydroxypropyl dihydrogen phosphate

7032.01

10559.61

-

3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone

11754.84

11243.43

-

3-Hydroxy-16-imino-17-azaandrostan-11-one

8358.84

5579.59

-

[3-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ox...

11513.31

6696.03

-

3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one

1800.00

2142.76

-

3-Hydroxy-2-methylpyridine-4,5-dicarboxylate

217544.54

186902.77

12362.40

17535.48

3-Hydroxy-3-methyloxindole

357177.41

322566.17

-

3-Hydroxy-3^-nitro-2-naphthanilide

2159.28

2272.89

-

3-Hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)ph...

3884.77

2173.18

-

3-Hydroxy-4-octyl-5-oxooxolane-2,3-dicarboxylic acid

2329.02

1973.11

-

3-Hydroxy-5Z-octenyl acetate

2802.71

2675.73

-

3-Hydroxy-alpha-methyl-DL-tyrosine

22819.49

22260.84

-

3-hydroxyandrost-5-en-17-one sulfate

11132.83

7873.12

-

3-Hydroxybenzaldehyde

17402.69

15537.44

-

3-Hydroxybenzoic acid

19656.15

16099.75

-

3-Hydroxybutyric acid

10805.23

4776.19

-

3-Hydroxycinnamic acid

52980.94

41563.90

-

3-Hydroxydecanedioic acid

15737.00

10480.96

-

3-Hydroxydodecanedioic acid

26819.55

14725.02

-

3-Hydroxyethylbacteriochlorophyllide a

67398.98

53153.74

-

3-Hydroxyhexadecanoic acid

3444.06

1288.12

-

3-Hydroxykynurenamine

5046.06

4517.42

-

(+)-3-Hydroxylarreatricin

7961.15

9073.07

-

3-Hydroxymethylenetanshinquinone

2568.91

2156.44

-

3-Hydroxymethylglutaric acid

11201.52

8551.40

32905.60

27968.55

3-Hydroxynonyl acetate

5703.85

5573.07

-

3-Hydroxyoctanoic acid

2881.27

1868.79

-

3-Hydroxyphenylacetic acid

29545.32

29591.79

-

3-hydroxypristanic acid

6084.43

5204.64

-

3-Hydroxypropanoic Acid

51443.06

38745.18

3779.91

4097.03

3-Hydroxytetradecanedioic acid

49681.26

42082.08

-

3-Hydroxytetradecanoylcarnitine

3421.71

4461.66

-

3-Hydroxyundecanoyl carnitine

4677.45

3387.58

-

3-(Indol-3-yl)lactate

19908.37

12912.85

-

3-Indoleacrylic acid

3478.90

2721.53

-

3-Iodo-4-methoxybenzyl alcohol

2780.60

2638.61

-

3-Lauryl-4-(isovaleryl)sucrose

34376.46

35662.02

-

3-Mercapto-1-hexanol

7406.07

5127.25

-

3-Mercaptolactic acid

1835.99

1408.41

-

3-Methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoate

13698.07

12742.40

-

(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate

16243.67

12117.57

-

3-Methoxyanthranilate

7892.94

6699.93

-

3-Methyl-2-oxovalerate

13209.70

11581.06

-

3-Methyl-2-thioxoimidazolidin-4-one

2763.66

2196.92

-

3-Methyl-4,8-dihydroxy-3,4-dihydroisocoumarin

6356.35

13553.47

-

3-Methyl-4-pentenoic acid

231034.39

185485.46

2779.50

2864.62

3-Methylbenzaldehyde

21962.38

15553.95

-

3-Methyl-l-tyrosine

8379.17

8098.16

-

3-methyl-N-naphthalen-2-ylbutanamide

19623.95

14980.38

65045.48

63846.21

3-Nitrotyrosine

10328.39

3042.35

-

3-(N-Nitrosomethylamino)propionaldehyde

2160.80

2086.35

-

3-Oxocholic acid

94685.64

87078.60

-

3-Oxododecanoic acid

10007.43

7267.37

-

3-Oxooctanoic acid

3165.92

3148.15

-

3-p-Coumaroylquinic acid

5942.97

7613.47

10884.30

7327.79

3-(p-Coumaroyl)ursolic acid

5168.31

3651.51

-

3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,...

2250.32

3445.10

-

3-Phosphoglyceric acid

1985.21

3280.57

2435.04

3330.17

3-(Pyrimidin-2-yl)propanoic acid

6010.60

4432.79

-

(3R)-3,4-Dihydroxy-3-(hydroxymethyl)butanenitrile 4-glucosid...

8694.54

7999.10

-

(3R)-3-acetyloxy-3-[(1R,2R,5R,6R,7R,10S,11R,14S)-11-(furan-3...

18166.98

15584.53

-

(3R,4S,5S,7R,8R,9E,11S,15R,17R)-3,8-Dihydroxy-17-[(S)-hydrox...

627328.95

584795.43

-

(3R, 6^Z)-3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benz...

4017.05

4858.36

-

(3r,7r,11r,15r)-3,11-Bis[(5r)-2-amino-4,5-dihydro-1h-imidazo...

24532.44

21308.50

-

[(3S)-3-Amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic...

2739.29

3044.47

-

(3S)-3-hydroxy-2,2,5,7-tetramethyl-6-[2-[(2R,3R,4S,5S,6R)-3,...

79233.63

70354.93

-

(3S,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octah...

40709.66

66254.65

-

(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one

11910.89

10113.91

-

(3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12^-apo-beta-caro...

31089.20

68409.39

-

(3S,8S,9R,10R,13R,14S,17R)-17-[(2R)-5,6-dihydroxy-6-methylhe...

3169.24

3061.67

-

3-tert-Butyl-4-hydroxyanisole

79985.18

138535.56

6855.85

6982.32

3-trans-Caffeoyltormentic acid

7993.85

4565.05

-

(3z)-N,N-Dimethyl-2-Oxo-3-(4,5,6,7-Tetrahydro-1h-Indol-2-Ylm...

17431.93

14295.14

-

4,12-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyc...

252947.14

199040.78

-

{4-[1-hydroxy-3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop...

14724.77

12141.33

-

4-[(1S,4S)-4-(1,3-Benzodioxole-5-yl)tetrahydro-1H,3H-furo[3,...

20959.49

20142.91

-

4-[2,2-Bis(diethoxyphosphoryl)ethenyl]-2,6-ditert-butylpheno...

6380.97

5218.46

7544.78

6799.01

4-(2-Aminophenyl)-2,4-dioxobutanoic acid

2253.35

784.55

-

4-((2-Carboxy-3-(2-methoxyethoxy)propyl)-1-cyclopentanecarbo...

13106.57

9017.36

-

4-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)-1,3-thiazol-2-a...

9255.74

6130.32

-

4-[(2-Furylmethyl)thio]aniline

3782.40

3959.81

-

4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-...

1262.85

1354.23

-

4-(3,4-Dichlorophenyl)-2-hydrazino-6-(trifluoromethyl)pyrimi...

5189.50

2666.44

7652.63

7572.41

4-(3,4-Difluorophenoxy)piperidine

1515.74

1091.08

-

4-(3,4-Dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-[(3,...

4798.53

4125.95

-

{4-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]p...

19629.65

16217.55

-

4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone

6750.17

5393.60

-

4-(3-Hydroxybutyl)phenol

103278.57

85029.94

-

4-(3-Pyridin-2-YL-1H-pyrazol-4-YL)quinoline

4667.00

6428.23

-

[4-[(3S)-3,4-dimethylpentanoyl]oxy-2,5-dihydroxy-3,6-bis(4-h...

2952.05

2310.02

-

4,4^-(2-Methylpropylidene)bisphenol

186764.35

137425.31

-

[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-(4-propan-2-yl...

62137.83

62313.15

-

[4-[(4-acetamidobenzoyl)amino]phenyl] (Z)-7-[(1R,2R,3R)-3-hy...

3478.40

4298.39

7031.63

7011.19

4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol...

5556.49

13046.92

-

4,4^^-bis(N-feruloyl)serotonin

1217.14

1036.03

-

4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate

1203.45

1218.18

-

4,4-Difluoropregn-5-ene-3,20-dione

4601.84

2169.48

-

4,4^-Dihydroxy-3,5-dimethoxydihydrostilbene

4617.13

3140.97

-

4-(4-Fluorophenoxy)aniline

4167.01

4174.76

-

4-(4-Fluorophenyl)-2-(4-nitrophenyl)-5-(4-pyridyl)-1H-imidaz...

3192.78

2826.08

-

4-(4-Phenylphenoxy)aniline

7711.86

6710.28

-

4-{[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10...

22958.80

14743.33

52812.61

56580.68

4-[5-(4-Hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)o...

7836.78

6218.00

-

4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene

4320.22

4591.21

-

4,5-Dihydrovomifoliol

13944.23

27751.29

8188.21

7985.27

4,5-Dihydroxyphthalic acid

36191.55

29674.45

-

[4-(5-Hydroxy-7-methoxy-8-methyl-4-oxochromen-3-yl)-2-methox...

13908.13

10042.29

-

4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin-1(2h)...

20078.66

13079.41

-

{[4-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-5,10-dihydro-2H-1...

1907.92

4911.07

-

[4-({6-[Allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-brom...

10298.14

9670.08

-

4,6-Bis(4-fluorophenyl)-2-methyl-5-(4-pyridinyl)-2H-pyrazolo...

3361.55

2437.79

-

4,6-Difluoroindoline

2215.64

1554.21

-

4^,6-Dihydroxy-5,7-dimethoxyflavanone

28028.11

27658.11

-

4alpha-Hydroxymethyl,4beta,14alpha-dimethyl-9beta,19-cyclo-5...

3937.76

10910.29

-

(4-Amino-2-methylpyrimidin-5-YL)methyl dihydrogen phosphate

3957.73

3659.14

2660.67

2077.72

(4-Amino-2-methylpyrimidin-5-yl)methyl trihydrogen diphospha...

61508.65

60717.44

-

4-Aminoestra-1,3,5(10)-triene-3,17beta-diol

4871.03

3544.24

-

(4aR)-3-Methyl-5-methylene-6beta-(beta-D-glucopyranosyloxy)-...

4364.38

4159.22

-

(4aR,6aS,6bR,9S,10S,12aR)-10-hydroxy-2,2,4a,6a,6b,9,12a-hept...

12976.85

10841.24

-

4-(Benzhydryloxy)-1-[3-(1H-tetraazol-5-YL)propyl]piperidine

8418.98

6406.31

2706.99

2570.17

4^-Benzyloxy-5,7-dimethoxyflavone

1413.79

909.52

-

4beta,4^beta-Oxybis(3,4,8,9-tetrahydro-8alpha-isopropenyl-5-...

3266.31

3616.30

-

4-Chloro-2-(4-fluorophenyl)quinazoline

1636.41

2157.67

-

4-Chloro-2-methylphenol

14497.36

33927.89

-

4-Chloro-4^-hydroxybiphenyl

95352.52

84385.64

-

4-Chlorodehydromethyltestosterone

379276.02

473105.69

-

4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one

17297.60

19093.99

-

4-(Difluoromethoxy)aniline

5260.06

4474.69

-

{4-[(Difluoromethyl)sulfonyl]phenyl}hydrazine

6895.75

9834.82

6691.17

9508.65

4-(Dimethylamino)benzaldehyde N-phenylthiosemicarbazone

2623.00

1816.11

-

4-Dodecylbenzenesulfonic acid

15481.72

14632.35

-

{4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-methylbuta-1,3-dien-1-yl]...

22867.35

19346.04

-

4-ene-Valproic acid

67877.34

55905.05

-

(4-ethenyl-2,6-dihydroxyphenyl)oxidanesulfonic acid

7932.37

3798.77

-

4-Ethoxy-6-fluorocoumarin

6798.27

6048.84

-

4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol...

2532.39

3646.88

-

4-Ethyloctanoic acid

30300.11

34671.10

82784.41

66264.77

4-Ethylphenyl sulfate

38472.00

28581.91

-

4-Ethynylaniline

72571.72

29905.70

-

4-Fluoro-3-phenoxybenzaldehyde

5115.44

2519.10

-

4-Fluorobenzanilide

8256.53

9671.39

-

4-Fluoro-L-phenylalanine

19087.99

15135.30

-

4-Fluorophenylacetic acid

58532.04

31717.66

-

(4-Fluorophenyl)(pyridin-4-yl)methanone

11316.83

12929.84

-

4-(gamma-L-glutamylamino)butanal

3109.81

2689.79

-

[4]-Gingerdiol 3,5-diacetate

11109.33

9667.86

-

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6...

1502.16

1683.28

-

4-Hydroxy-3-methoxytamoxifen

2544.06

4407.60

-

4-Hydroxy-3-methylbenzaldehyde

3561.99

4135.93

-

4-Hydroxy-3-methylbenzoic acid

13589.56

10132.08

-

4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone

66725.24

56469.66

-

4-Hydroxybenzaldehyde

34267.02

31117.68

-

4-Hydroxybenzoic acid

19631.60

17139.03

13749.24

12931.76

4-Hydroxybutyric acid

12028.11

11337.50

-

4^-Hydroxychalcone

159145.46

126358.64

-

4-Hydroxycinnamic acid

2740210.15

2096234.19

-

4-hydroxy Nonenal Glutathione-d3

4986.23

3133.57

-

4-hydroxy Nonenal Mercapturic Acid-d3

8720.13

6578.28

-

4-Hydroxyphenylacetaldoxime

1943.95

1310.85

-

4-Hydroxyphenylacetylglycine

33592.04

29610.82

-

4-Hydroxyphenylglyoxylic acid

3549.83

4992.77

-

4-Hydroxyphthalic acid

6437.46

4274.28

-

4-Hydroxyretinoic Acid

1540.02

1456.48

-

4-Hydroxystilbene

8291.35

4386.57

-

4-Hydroxystyrene

25310.55

16796.73

-

4-Hydroxy Triamterene

1756.36

1902.66

-

4-methoxy-3-[4-[[(5S)-11-methoxy-6,19-dimethyl-20-oxo-2,13-d...

3093.90

1559.48

-

4-Methoxycinnamic acid

29418.19

23142.98

-

4-Methoxyphenylacetic acid

101242.20

86633.50

-

4-Methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazo...

3041.03

3633.31

-

4-Methylburimamide

16797.25

9066.53

-

4-Methylcatechol

7260.54

5632.39

-

4-Methylhippuric acid

1667139.29

1345781.86

2792.45

2787.41

4-methylphenyl 5-phospho-alpha-D-ribofuranoside

3035.32

3555.73

-

4-(Methylsulfanyl)-2-oxobutanoic acid

4994.25

3937.10

-

4-(Methylsulfinyl)phenol

14570.42

13132.93

-

4-Nitronaphthalene-1,8-dicarboxylic acid

2378.33

2215.47

-

4-O-beta-D-glucosyl-4-coumaric acid

9871.33

9361.30

-

4-O-beta-D-mannopyranosyl-N-acetyl-D-glucosamine

3423.07

4413.06

-

4-O-Methylpinosylvic acid

7176938.86

5501711.33

-

4-Phenethylphenol

8295.18

5635.36

-

4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione

4887.18

4187.10

-

4-(piperazin-1-yl)-1H-indole dihydrochloride

7179.55

5615.53

-

4-Pregnen-17alpha,20beta-diol-3-one-20-sulfate

1307.94

1520.85

-

4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

5091.08

6463.96

-

(4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13...

2435.97

1143.96

-

(4R,5S,15R)-15-[(2S,3R,4R)-3,4-dihydroxy-6-methyl-5-methylid...

14360.59

16474.46

-

(4R,5S,6S)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-...

3904.70

3944.00

-

(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one

3418.20

2711.89

-

(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one

31643.76

32888.08

-

4-Tert-butylphenoxyacetic acid

66842.79

61583.80

-

4-tert-Butylphenyl salicylate

21120.32

16288.19

-

5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin

14489.23

17454.62

-

5,10-Methenyltetrahydrofolate

2298.00

1657.70

-

5,18-Dihydroxy-1,14,21,25-tetramethyl-4,20,23-trioxaheptacyc...

4616.55

3369.45

-

5-(2-Ethoxyethyl)-1,3,4-thiadiazol-2-amine

9306.17

7148.32

-

5-(2-Fluorophenyl)furan-2-carbaldehyde

6356.84

5474.14

-

5-(2-Propoxy-ethyl)-[1,3,4]thiadiazol-2-ylamine

7704.34

7301.84

-

5-(3^,4^,5^-Trihydroxyphenyl)-gamma-valerolactone

3667.64

3408.13

-

5-(3,5-Dinitrophenyl)-1,3,4-thiadiazol-2-amine

7065.86

5332.56

-

5-[(3aR,4S,5S)-5-hydroxy-4-(4-methyl-3-oxooct-1-en-6-ynyl)-3...

180076.46

206236.42

17492.32

15125.14

5-(3-Carboxybenzoyl)-2-((6-(4-methoxyphenyl)-5-hexenyl)oxy)b...

3689.97

5958.65

3808.09

3150.63

5-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)na...

7553.49

6407.75

-

5-(4-Fluorophenyl)cyclohexane-1,3-dione

5898.66

4133.79

-

{[5-(4-methoxyphenyl)-2-methyl-3-oxopentyl]oxy}sulfonic acid

13647.96

11879.29

-

5-(4-nitrophenyl)-2-phenyl-4H-pyrazol-3-one

2856.57

1653.83

-

5-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)...

1332.01

1424.50

7079.62

5314.68

5,5^-Dehydrodivanillate

8709.22

7018.84

-

[5,6,14-Trihydroxy-10,13-dimethyl-17-[1-[5-methyl-6-oxo-4-[[...

32011.18

21669.99

-

5,6,7-Trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4...

3904.37

2903.57

27517.61

23092.56

(±)5(6)-DiHETE

6123.86

5528.77

-

5,6-Dimethoxysterigmatocystin

2795.72

2321.53

-

5-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-YL)-2-methyl-pent...

7346.21

4631.26

-

5,7-Dihydroxy-3,6,8,3^,4^-pentamethoxyflavone

4383.43

7394.09

-

5,7-Dihydroxy-8-prenylflavone

2928.07

3167.03

-

5-{9,32-Dihydroxy-6,10,13,20,32-pentamethyl-27-methylidene-3...

3386.65

1125.82

-

5-(9-anthrylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione

7835.67

3970.48

-

5-Amino-1-(5-phospho-D-ribosyl)imidazole

3060.54

2041.67

-

5-amino-2-[[(9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoyl...

4453.85

4486.93

-

5Androstan-3ol-17-one sulfate

44494.44

27373.70

-

5b-Cholestane-3a,7a,12a,24,25-pentol

39605.96

38220.31

-

5b-Cholestane-3a,7a,12a,25-tetrol

42672.74

65110.51

-

5-Benzylpyrrolidin-2-one

2493.40

1898.55

-

5beta-Cholanic acid

5680.39

4937.53

-

5-Bromo-1-tetralone

21628.97

16383.18

-

5-Bromo-4-heptylpyrimidine

5414.00

5187.39

-

5-Bromo-4-hexylpyrimidine

2419.48

2491.27

-

5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine

1415823.65

1476259.04

-

5-cis Carbaprostacyclin

8510.42

8463.77

-

5^-Dehydroinosine

8976.13

6699.60

2861.41

2451.05

5-(Diphenylphosphinyl)pentanoic acid

18362.82

14482.61

-

5-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl...

16701.25

17692.07

-

(5E)-5-[(2-methoxy-1-naphthyl)methylene]-1-phenyl-2-thioxodi...

1468.07

2023.24

-

(5E,8E,11E,14E)-19-Hydroxyicosa-5,8,11,14-tetraenoic acid

7231.24

5036.84

-

5-Ethenyl-1-methylphenanthrene-2,7-diol

2403.36

2088.82

-

5-Fluoro-2-(trifluoromethyl)phenylacetonitrile

8359.89

5695.84

-

5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl...

8008.71

4289.83

-

5-Heptadecyl-1,3-benzenediol

8942.05

7376.13

-

5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid

1852.70

5514.38

-

5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one

40732.07

37723.14

-

5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxyl...

110874.51

98578.04

-

5-Hydroxy-6-methoxy-3-methyl-2-octaprenyl-1,4-benzoquinone

5437.93

4893.26

-

5-Hydroxy-6-methoxycoumarin 7-glucoside

30042.47

25938.17

-

5-Hydroxyconiferaldehyde

15210.75

13433.56

-

5-Hydroxyconiferyl alcohol

1219.30

980.06

-

5-Hydroxyisourate

5528.64

4192.66

-

5-(Hydroxymethyl)-2,7-dimethyl-6-[2-[3,4,5-trihydroxy-6-(hyd...

24724.77

21600.96

-

5-Hydroxy saxagliptin

6330.44

5677.03

-

5-Hydroxytryptophol

2427.22

1822.77

-

5-Methoxyindoleacetate

5948.86

4563.33

37388.47

45850.63

5-Methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexe...

11290.56

6974.04

-

5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trif...

21745.33

14257.78

-

5-Methyltetrahydrofolic acid

3449.32

1463.88

3669.05

3661.88

5-Nitro-2-(3-phenylpropylamino)benzoic acid

18619.46

13670.62

-

5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid

210836.53

157364.04

4397.34

5852.12

5^-O-beta-D-Glucosylpyridoxine

3237.88

3047.09

-

5^-O-Desmethyl omeprazole

5974.17

3374.93

-

5-Phenylvaleric acid

25770.88

28611.62

-

5-phospho-alpha-D-ribose cyclic-1,2-phosphate

24968.84

29574.70

-

5^-S-[(3S)-3-azaniumyl-3-carboxylatopropyl]-5^-thioadenosine

2077.83

4012.12

-

(5S,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-t...

30636.91

31447.92

-

(5S,6R,7E,9E,11Z,14Z)-6-[(2S)-2-amino-2-carboxyethyl]sulfany...

81305.78

63184.42

-

5(S),6(R)-Lipoxin A4-d5

7029.83

4497.51

-

(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trien-14-ynoic...

23425.90

17596.67

-

5Z,8Z,11Z,14Z-Eicosatetraenedioic acid

12120.79

17162.81

-

6-{[12-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-3,4,5,10-tetra...

2224.09

1244.41

-

6-[2-(2H-1,3-benzodioxol-5-yl)-1-hydroxyethyl]-4-methoxy-5,6...

36087.84

25247.30

-

6-[2-(3-{3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl...

12241.34

7740.50

-

6-{[2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-8-[3,4,5-trihyd...

8194.84

3388.60

-

[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihyd...

2429.57

1963.04

-

6-[2,3-dihydroxy-4-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-tri...

4445.12

3178.93

-

6-(2,4-dihydroxyphenyl)-2-(4-{7-[(3,3-dimethyloxiran-2-yl)me...

2469.52

2026.21

-

6-(2,6-Dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-...

22090.35

16649.97

18104.01

18012.19

6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroqu...

6687.02

11759.62

-

6-(2-Chloroallylthio)purine

30801.45

32231.59

356261.33

335808.76

6-[3,5-Dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydrochrome...

6656.55

5962.33

-

6-(3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,...

29481.84

23601.91

-

6-[3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-...

1476.07

1299.09

-

6-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimido...

14132.12

13922.63

-

6-[(4Ar,8as)-octahydroquinolin-1(2h)-ylsulfonyl]-1,2,3,4-tet...

2025.12

1167.05

-

6,6^-(1,2-phenylene)bis(1,3,5-triazine-2,4-diamine)

7583.14

4554.60

-

6,8a-Seco-6,8a-deoxy-5-oxoavermectin^^1b^^ aglycone

10496.26

10957.83

2644.77

2567.11

6,8-bis[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-b...

4454.59

4129.64

-

6a,7,8,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-(pentyl-5,5,5...

33224.93

39307.71

-

6-Acetylmorphine

28902.77

27397.75

-

6alpha-Fluoro-17-hydroxy progesterone acetate

4167.75

3678.98

-

6alpha-Hydroxycortisol

29289.28

36052.41

-

6alpha-Methyl-11beta,17alpha-dihydroxy-21-fluoropregna-1,4-d...

7748.05

6050.99

-

6-Amino-2-[(2-amino-3-phenylpropanoyl)amino]hexanoic acid

6400.73

7225.64

-

6-Amino-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione

7253.80

6013.55

-

6-Amino-N-[3-[4-(4-morpholinyl)pyrido[3^,2^:4,5]furo[3,2-d]p...

1405.24

2062.68

-

6-Aminopyridine-3-carbothioamide

3472.08

2554.23

-

6^-Apiosyllotaustralin

10194.55

7272.87

-

(6aR,9R,10aR)-9-(methylsulfinylmethyl)-7-propyl-6,6a,8,9,10,...

11600.45

10615.22

-

6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine

9202.12

7436.09

-

6-Benzylaminopurine

30208.80

24362.68

-

6-Chloro-5-methyl-1-((2-(2-methylpyrid-3-yloxy)pyrid-5-yl)ca...

5126.97

5507.17

-

6-Chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dio...

16005.90

11342.92

-

6-(Chloromethyl)-2-methylpyrimidin-4-ol

1446.99

1358.46

-

6-Deoxohomodolichosterone

28068.26

34728.43

-

(6E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,...

1885.99

1318.64

-

[6]-Gingerdiol 3,5-diacetate

25831.97

27738.43

-

6-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-c...

8194199.90

6282046.81

-

6-Hydroxybuspirone

9773.43

7310.25

-

6-Hydroxycoumarin

6396.55

6426.29

-

6-Hydroxyemedastine

25064.47

20901.49

-

6-Hydroxyenterodiol

2492.11

1855.57

-

6-Hydroxyflavanone

6009.59

15319.28

-

6-Hydroxyflavone

247416.18

215962.86

-

6-Hydroxypentadecanedioic acid

5218.74

4143.37

-

6-Imino-5-oxocyclohexa-1,3-dienecarboxylic acid

76410.77

58418.58

-

6-Isopropoxy-9-oxoxanthene-2-carboxylic acid

8095.47

7078.06

-

6-Ketoestriol

4387.31

3988.45

-

6-keto-PGF1α

3000.38

11864.62

-

6-ketoprostaglandin E1

36970.33

35394.55

-

6k-PGF1d4

12454.72

11001.76

-

6-Maleimidocaproic acid

15458.27

9832.59

-

6-Methoxyflavanone

39803.60

36362.13

-

6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose

1629.59

1468.11

-

6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose

9600.28

7993.88

-

6^-Oxogentamicin X2

10847.48

8559.58

-

6-Oxoiguesterol

19063.87

17795.49

-

6-Phosphogluconic acid

3902.38

2167.79

-

(6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3...

9264.75

8555.01

-

(6R)-5,10-Methylenetetrahydrofolate

5194.10

4780.77

-

[(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-di...

3908.42

4034.27

-

(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid

18150.36

14563.51

-

6-Thiouric acid

2078.74

1943.88

-

6-trans Leukotriene B4

14197.44

11707.83

-

6β-hydroxytestosterone

105.79

346.68

-

7(14)-Bisabolene-2,3,10,11-tetrol

20083.26

24213.89

-

7-[(1R,2R,3R)-2-(4,4-difluoro-3-hydroxyoctyl)-3-hydroxy-5-ox...

2525.06

1718.58

-

7,3^-Dihydroxy-4^-methoxy-8-methylflavan

1217325.82

919551.63

-

7,3^-Dihydroxy-8,2^,4^-trimethoxyisoflavan

66670.49

53146.30

-

7-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-dimethox...

2605.30

746.43

-

7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)...

19855.00

30669.01

-

(±)7(8)-DiHDPE(A)

322308.51

299959.61

-

7,8-Dimethyl-10-(2^-acetoxyethyl)isoalloxazine

17334.46

11032.43

12478.77

11304.89

7alpha,12alpha,26-Trihydroxycholest-4-en-3-one

4797.04

4662.92

-

7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid

20872.12

21676.34

-

7alpha-Hydroxy-3-oxochol-4-en-24-oic acid

194083.59

162779.50

-

7b-Hydroxy-3-oxo-5b-cholanoic acid

4552.98

5252.60

-

(7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20E)-2,10,12,14,1...

66701.62

59246.84

-

(7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20E)-2,4,10,12,14...

91700.89

81453.27

-

7-Epi-cylindrospermopsin

8294.23

5431.00

-

7-Epizucchini factor A

4105.28

3372.26

-

7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonylox...

32466.17

27899.16

-

7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin

50167.95

33182.30

-

7-HYDROXY-7-DESACETOXYKHIVORINIC ACID,METHYL ESTER

6735.50

4921.43

-

7-Hydroxychlorpromazine

3153.14

4237.51

-

7-Hydroxymethotrexate

5535.70

3414.74

-

(+)-7-iso-Jasmonic acid

6788.86

5663.42

3944.92

3818.32

7-Keto-dehydroepiandrosterone

12400.62

14100.52

-

7-Mercaptoheptanoate

4992.48

4927.04

-

7-Methoxy-2-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one

1125.89

1066.74

-

7-Methoxypradimicinone II

6206.84

7940.33

-

7-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4(3H,10...

1711.95

1269.67

-

7-O-Acetylaustroinulin

22839.75

26474.89

-

7-oxo-11-Dodecenoic acid

52762.11

35386.68

-

8,12-Diethylbacteriochlorophyllide d

1712.26

731.72

-

8,15-Dihete

21052.51

18994.45

-

[8-[2-(3-Methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofur...

3174.89

2504.33

-

8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzop...

7126.84

6085.29

-

8,9-Dimethoxy-7-methyl-10,11-dihydrodibenzo[b,f]oxepine-1,6-...

4331.75

2478.18

-

8alpha-Hydroxy-gama-tocopherone

35020.93

35782.68

-

8-Aniline-1-naphthalenesulfonic acid

2118.09

2154.55

-

8^-apo-beta-Carotenol

2993.21

2238.73

29375.66

26459.52

8-bromo-cGMP

2035.83

1200.82

-

8-Carboxymethyldihydrochelerythrine

2350.70

1236.04

-

8-demethyl-8-(alpha-L-rhamnosyl)tetracenomycin C

11945.27

14168.98

-

8-Demethyl-8-(dimethylamino)riboflavin

3583.62

3085.44

-

8-Desoxygartanin

3348.72

2762.80

-

8-Fluoro-5-(trifluoromethyl)quinoline

1209.00

1073.14

-

8-hydroxy-2^-deoxy Guanosine

16974.47

12206.44

7205.69

5106.08

8-Hydroxydemethylclomipramine

30089.69

47600.73

-

8-Hydroxyeicosa-9,11,14-trienoic acid

5359.02

4902.06

-

8-Hydroxyquinoline

6085.26

5342.36

-

8-iso-17-phenyl trinor Prostaglandin F2

5733.87

6721.94

-

8-iso PGF3

205002.07

161876.77

-

8-Oxohexadecanoic acid

10564.76

11667.11

-

(8R,9R,10R,13S,14R,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6...

23416.28

14408.81

-

(8)-Shogaol

9870.70

32573.67

-

(8Z,22E)-4-hydroxy-26-methoxy-2-oxa-11,15,20-triazatricyclo[...

16405.23

12327.34

-

(-)-9,10-Dihydrojasmonic acid

28140.44

20408.45

-

9,10-Dihydrokadsurenone

153818.28

84294.88

-

9,11-methane-epoxy Prostaglandin F1alpha

36270.53

73121.50

12106.28

12016.78

9,11-Methanoepoxy PGH2

62910.58

48167.79

-

9,12-Octadecadiynoic Acid

24154.15

21984.08

-

9,15,9^-Tri-cis-zeta-carotene

2879.49

3429.44

-

9alpha,11alpha,15S-Trihydroxy-prosta-5Z, 13E-dien-1-oic acid...

6213.98

3612.29

-

9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-3,20-d...

30038.72

18452.46

-

9alpha-Fluoro-11beta-hydroxy-6alpha-methyl-4-pregnene-3,20-d...

16057.63

10958.79

-

9-Chloro-11beta-hydroxy-17-methyltestosterone

1717.87

2687.46

-

9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione

1433.86

1075.16

-

(9-cis,9^-cis)-7,7^,8,8^-Tetrahydro-psi,psi-carotene

2798.37

4836.66

-

9-Decenoic acid

2988.50

2506.14

-

9-deoxy-9-methylene-Prostaglandin E2

9122.03

8068.49

-

[(9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,11,15,17,27,...

29532.03

23089.27

-

9-Fluoro-11-oxotestololactone

16943.96

14740.31

-

9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione

1685.51

1318.14

-

9H-Fluoren-9-one, 1,9a-dihydro-1,9a-dihydroxy-, cis-(+)-

22191.50

14390.40

-

9-nitro-9E-octadecenoic acid

1617.00

643.45

-

9-oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid

22838.93

39828.51

-

9-oxo-15R-hydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid

224031.89

199599.32

-

9-Oxo-nonanoic acid

57198.66

34525.19

-

(9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid

122894.76

86267.37

4867.07

4978.39

9S-HOTrE

12700.29

11749.80

-

(9Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadec-9-enamide

10893.62

11890.32

-

Abacavir carboxylate

4487.95

3506.17

-

Abemaciclib mesylate

1277.54

754.09

-

Absintholide

15061.81

28734.88

-

Abu-Asp-OH

9020.03

20548.22

-

Abu-His-OH

12216.61

11073.82

-

Abu-Ile-OH

13110.55

17569.11

-

Abu-Ser-OH

11322.65

8145.82

-

Abu-Tyr-OH

40325.21

67115.74

-

Acadesine

6191.28

6689.38

4787.63

4705.24

Ac-DEVD-CHO

2579.32

3173.85

-

Acetamiprid

69395.78

51817.17

8705.14

9431.56

Acetoxy-6-gingerol

2231.01

870.79

-

Acetoxy-8-gingerol

2552.98

2050.08

-

Acetoxyparthenolide

10909.46

12294.32

-

Acetylcholine iodide

1512.20

1433.49

-

Acetylleucine

37189.42

31188.20

-

Acetyl-maltose

9802.72

8624.43

-

Acetyl-N-formyl-5-methoxykynurenamine

6792.06

5207.47

1473.45

1800.63

Acetylsalicylic acid

58714.24

119745.50

-

Acetylvalerenolic acid

15477.30

20207.33

-

Aconitan-14-one, 7,8-dihydroxy-20-ethyl-4-(((2-(3-methyl-2,5...

6726.26

3810.70

-

Acronycidine

8244.46

5775.13

-

Acylsucrose S4:24[6] (2,5,5,12)

1419.77

1234.80

-

Adapalene

83423.65

51584.56

-

Adynerin

13538.71

14680.06

-

AFP-07 free acid

14051.58

7205.89

-

Afzelechin

4392.12

4456.60

-

Agarotriose

2676.92

1117.15

2734.94

2597.28

AGC

14609.57

14220.77

-

Ajmalicine

22660.37

28496.41

-

Aklavin

3013.53

2046.81

-

AL 8810 ethyl amide

10443.73

8317.37

-

Ala-Asn-Val-Asp

39973.54

62358.20

-

Ala-Asp-Phe-Asp

109.79

89.62

-

Ala-His

6552.52

3253.21

-

Ala-His-Tyr-Glu

373850.95

261097.44

-

Ala-Ile-Asn-Glu

5916.74

3162.75

-

Ala-Ile-His

10759.09

9890.59

-

Ala-Lys-Asn-Glu

2675.76

1506.33

-

Alanyltyrosylarginine

2516.37

2548.97

-

Ala-Thr-Val-Glu

2015.94

1829.99

-

Ala-Val-Asn-Asp

2317.46

2420.93

-

Ala-Val-Asp-Asp

22465.97

17759.53

-

Albendazole oxide

7848.71

5813.27

-

Albonoursin

5174.10

5447.37

-

Aldehyde Reactive Probe (trifluoroacetate salt)

18697.24

16485.12

-

Aldehydo-D-Fucose

5747.32

4120.15

-

aldehydo-D-ribose

14452.60

9772.80

33139.23

31800.31

aldehydo-N-acetyl-D-mannosamine 6-phosphate

3192.10

3657.54

-

Aldosecologanin

3863.28

3786.89

-

Aleuritic acid

10068.04

5532.20

-

Aliskiren

14924.36

11100.69

-

Alisol A

19649.34

25945.33

-

Alisol B

5448.20

7773.64

-

Alkannin beta,beta-dimethylacrylate

3467.85

3092.03

-

ALLM (Calpain Inhibitor)

4045.91

6007.74

-

Allotetrahydrocorticosterone

4271.30

10886.30

-

All-trans-decaprenyl diphosphate

6915.07

4089.57

-

alpha,alpha^-Diethyl-3,4,4^-stilbenetriol

1955.91

1602.36

-

alpha,alpha^-Trehalose 6-palmitate

7279.69

6052.26

-

alpha-D-ribose 1-(acetamidomethylphosphonate) 5-triphosphate

3244.55

2524.06

-

alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol

2011.49

1490.87

-

alpha-Guanidinoglutaric Acid

3677.22

3143.79

-

alpha-Hydroxyhippuric acid

12095.00

9241.64

-

alpha-Hydroxytoremifene

1371.85

942.31

-

alpha-Hydroxytriazolam

1245.99

1742.43

-

alpha-Ketoisovaleric acid

17137.04

14445.24

-

alpha-Peltatin

4599.76

1359.56

-

alpha-Terpinyl anthranilate

16846.46

13947.79

-

alpha-Tocotrienoxyl radical

33788.44

94187.84

-

Alternariol

5073.27

5854.38

-

Amebacilin

24070.57

15579.29

-

Amfonelic acid

8513.76

6353.12

-

Amylotetraose

11482.24

4247.00

-

Ancistrocladine

4573.69

5926.66

-

Ancistrotectorine

8186.21

7192.39

-

Androstenedione

7634.06

8141.34

-

Androsterone glucuronide

11182.96

20976.93

2939.57

2745.26

Angiotensin I/II (107)

25578.48

17673.18

-

Anhydroamarouciaxanthin B

7725.44

5497.15

2954.35

4006.53

Anhydrocinnzeylanine

34937.76

25107.85

-

Anopterine

7413.79

3157.23

-

Ansamitocin P-3

17324.83

12321.62

-

anthracene-9-carboxylic acid

3673.17

3695.02

-

Anthrakunthone

2988.70

3988.52

-

Antibiotic SB 202742

9449.80

9163.32

-

Antibiotic T 23I

5378.10

3800.83

-

ANTIMYCIN A(A1 shown)

12247.17

9336.26

-

Antrodin A

1851.81

1046.99

-

Apicidin

3471.82

1425.62

-

Apimaysin

17059.23

20813.28

6082.00

5083.23

Apo-10^-violaxanthal

13596.03

11072.55

2293.45

2396.25

Apo-12^-violaxanthal

84718.47

63162.63

-

Apo-4^-lycopenal

4917.67

3548.90

-

Apocholic acid

2145564.85

1967179.10

15944.62

14756.82

Apomorphine

4328.45

3366.54

-

Aquayamycin

5199.00

3267.73

-

Arachidonic-p-nitroaniline

59359.11

53581.78

-

Arachidonoyl-1-thioglycerol

12574.11

13534.10

-

Aralionine A

1788.77

1703.99

-

Arbaprostil

13998.55

11340.09

-

Arg-Ala-Leu-Lys

2923.16

4306.21

-

Arg-Asn-Phe-Arg

15084.38

13660.43

-

Arg-Gly-Glu-Val-Leu

30990.63

30666.33

-

Arginyl-glycyl-aspartic acid

25153.03

18325.11

-

Arg-Leu-Asn-Arg

5914.52

5515.32

-

Arg-Lys-Ala-Glu

6146.01

4427.93

-

Arg-Thr-Ile-Glu

3601.82

2997.79

-

Arillatose B

3764.46

2573.23

-

Aripiprazole

6713.89

7409.87

-

Armexifolin

20799.30

19201.88

-

Arnottin II

10150.36

9898.94

-

Artonin K

4192.94

2976.98

-

ascopyrone M

5249.13

4174.96

-

Asn-Glu-Ile-Lys

16008.57

11321.54

-

Asn-His-Phe-Asp

1871.34

664.95

-

Asn-His-Val-Asp

2416.69

662.06

-

Asn-Ile-Arg-Asp

47821.01

40635.64

-

Asn-Ile-Thr-Glu

2371.39

1169.50

-

Asn-Leu-Arg-Arg

7617.30

17569.00

-

Asn-Leu-Pro-Ala-Lys

8426.00

8655.61

3070.56

3125.57

Asn-Phe

4425.36

3280.05

-

Asn-Ser-Leu-Arg

8989.60

6722.96

5970.46

5519.55

Asn-Thr-Asp-Arg

19393.34

14886.30

-

Asn-Thr-Ile-Arg

2814.78

3100.45

-

Asn-Trp

90808.54

71671.96

-

Asp-Abu-OH

41321.03

31939.54

-

Asp-Ala-Lys-Arg

121078.84

137729.51

-

Asparagoside B

3681.33

2340.77

-

Asparagusic acid

9100.81

7436.98

-

Asparagyltryptophylarginine

6233.49

6239.66

-

Asparenydiol

3256.74

2251.90

-

Aspartame

7575.62

7257.53

-

Aspartylcysteine

1549.36

1572.37

-

Asp-Asp

6560.98

5996.30

-

Asperuloside

4256.40

7158.42

-

Asp-Glu-Thr-Asp

7845.38

6689.42

33765.23

28684.96

Asp-His-Phe-Asp

19893.95

17295.61

-

Aspidospermine

7101.17

6383.08

-

Aspirin softam

2041.55

2450.31

-

Asp-Leu-Ala-Glu

26178.32

21006.50

1584.20

1511.08

Asp-Lys-Thr-Glu

6748.35

3964.51

-

Asp-Lys-Tyr-Asp

6681.29

6139.94

-

Asp-Tyr-Ile-Glu

21417.51

16846.23

-

Astemizole

13029.96

9321.70

-

Asterina 330

1921.70

1296.16

-

Asterrate

5981.55

4445.32

-

Astragaloside IV

7190.43

6157.99

-

Atractyloside

11653.70

7420.30

-

Atractyloside C

5586.56

5396.94

-

Atrinositol

44467.71

41293.56

6090.34

5935.01

Auda

8183.73

8223.69

-

Auraviketone

8203.29

8447.17

-

Aureothin

1667.04

1132.39

-

Avanafil

14664.36

13030.40

-

Avenanthramide A2

12350.96

10697.02

-

Avenanthramide E

14953.98

10456.58

-

Averantin

2769.44

2766.59

1646.92

1984.89

Avermectin A1b monosaccharide

4939.80

4133.78

-

Avermectin B1b aglycone

42818.40

31864.47

-

Axitinib

86517.60

67602.26

7796.57

8193.72

Aziridyl benzoquinone

48328.15

39880.11

-

Azukisaponin I

3421.09

964.37

-

Baccatin III

13374.12

10197.30

2590.03

2567.22

Bacteriopheophytin a

17354.22

22227.28

30737.47

28586.10

Bafetinib

21399.47

12464.42

-

Bardoxolone

10679.80

26079.02

-

Basic red 2

11348.57

9627.01

-

Batrachotoxinin A

3742.11

4763.40

-

Bazedoxifene acetate

5468.32

5467.01

-

b-Citraurinene

341312.84

311890.46

569927.43

679223.18

Benazeprilat

8440.23

6960.72

-

Bendamustine hydrochloride

4675.48

4624.17

4949.73

5483.80

Benserazide

4366.71

3070.61

-

Benz[a]anthracene

8705.39

7762.19

-

Benzamide, N-(4-(1-methyl-2-(((1-methylethyl)sulfonyl)amino)...

14408.62

13580.95

-

Benzeneacetic acid, 2-methoxy-4-(1-propenyl)phenyl ester

14353.32

10513.01

-

Benzidine Yellow GR

1423.46

1337.51

-

Benzo[b]naphtho[2,1-d]thiophene

2612.96

2763.91

-

Benzoic acid

14255.23

12574.33

6650.66

6926.51

Benzosimuline

11984.89

8227.41

-

Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine

7359.62

9357.33

-

Benzyl 4-hydroxybenzoate

88114.66

93076.28

-

Benzyl beta-D-Arabinopyranoside

8613.32

8900.46

19878.82

22342.27

Bestatin hydrochloride

22442.19

20062.83

-

beta-Acetyldigoxin

6936.65

6585.14

-

beta-Amyrin p-hydroxy-cis-cinnamate

4321.80

2102.38

-

beta-D-Galactosamine

2351.48

2766.76

-

beta-D-gentiobiosyl crocetin

25675.21

16666.42

-

beta-D-Glucopyranosyl (2alpha,3beta,4beta,19alpha)-2,3,19,23...

13496.95

9079.62

-

beta-Lapachone

25042.05

16402.65

-

beta-L-Arabinose 1-phosphate

8236.49

6100.22

-

beta-Obscurine

22921.36

20913.84

-

beta-Selinene

1291.16

1031.81

-

beta-Sitosteryl ferulate

3754.67

3440.78

-

Beta-Tyrosine

64289.02

53276.73

14029.71

13362.46

Bianfugecine

3220.03

4172.49

9416.14

8881.79

bicyclo-PGE2

6779.15

5474.01

-

Bifonazole

7317.04

8814.57

-

Bilastine

7480.79

6031.64

-

Bilirubin

6111.57

5736.14

-

(-)-Bilobalide from ginkgo leaves

27090.85

26877.60

-

biochanin A 7-O-beta-D-glucoside

2696.00

1699.30

-

Biperiden

2401.22

1197.70

-

Bis(3-azidopyridinium)-1,10-decane perchlorate

1523.54

1863.27

-

Bis(4-fluoro-3-nitrophenyl) sulfone

1553.59

891.18

68222.62

65762.25

Bis(5-hydroxynoracronycine)

46453.38

26550.88

-

Bisbenzimide

2411.89

1468.51

-

bis(beta-glucuronosyl)bilirubin-IX alpha

2110.03

1977.47

-

Bisibutiamine

14617.78

5636.68

-

Bisindolylmaleimide i

5668.73

2751.09

-

Bisosthenon B

24928.05

22543.36

-

Bisphenol A

41772.43

32249.23

-

Bisphenol B

24418.28

16025.83

-

BIX 01294 Trihydrochloride

7487.56

5507.65

-

Bixafen

2533.29

1864.17

-

Borreverine

2839.90

3270.17

-

Botrydial

3315.43

5083.87

-

BQ 518

21203.88

19617.48

-

Bradykinin (1-7)

3356.93

3566.26

-

Brassicanal C

11707.50

9530.35

-

Brazilin

157711.93

119253.65

-

Brevianamide A

8153.89

6105.21

-

Browniine

31391.22

28018.53

-

Buclizine

4387.81

2598.98

-

Buspirone

1848.25

1066.09

5068.17

6931.32

Buspirone n-oxide

12713.41

8955.76

-

Butaprost (free acid form)

17594.36

12473.81

-

C12 NBD-Ceramide

10055.28

8656.88

-

Cafamarine

11216.61

13258.72

-

Caffeic acid phenethyl ester

33377.02

25307.28

-

Caffeoyl tyrosine

3913.32

1269.80

-

Caftaric acid

2271.03

3817.03

4762.59

3754.60

Calafatimine

390694.87

361616.47

-

Calcium pantothenate

6397.35

6800.76

2826.24

2549.61

Callichiline

8236.63

4503.25

-

callytriol C

23906.89

19579.58

-

Calycanthoside

87636.34

75646.54

-

Camelledionol

6124.10

8952.50

-

Camptothecin

40974.43

56168.07

-

Cannabidiolic acid

135598.30

60671.02

-

Canthiumine

35225.35

45283.70

-

Capivasertib

4871.74

4676.65

43969.38

42846.15

Capsianoside I

9333.47

8565.52

-

Carbadox

32844.15

24825.34

-

Carbenoxolone

6754.39

5910.32

-

Carboprostacyclin

29171.24

28557.05

-

Carboprost methyl

10993.58

7636.74

-

Carboxin

3239.24

2747.69

-

Carglumic acid

20566.32

14645.28

-

Cariprazine hydrochloride

73572.28

70625.33

-

Carmamycin B

91.56

457.11

-

Carminic acid

2724.91

2492.76

-

Carnitine C12:1

1308.93

1896.50

-

Carnitine C16:1

16503.50

15465.35

1734.22

1850.61

Carnitine C21:3

7751.58

8682.68

-

Carotamine

1413918.05

1082698.46

-

Cashmiradelphine

1767.87

886.60

-

Casimiroin

9583.99

8132.53

-

Cavipetin D

14099.66

13023.38

-

CAY-10487

8120.30

4600.61

-

CAY-10573

6710.57

4571.80

-

CCT-018159

19733.74

28558.62

-

Ceanothine C

10118.56

7191.31

6007.00

5025.46

Cefoperazone

4461.30

1618.28

-

Celestrol methyl ester

2432.41

530.74

-

Celiprolol

9663.91

5489.40

-

Cellobiotol

34238.21

24914.22

-

Centaurepensin

3124.48

17079.55

-

Cephalexin

20695.72

19803.22

-

Cercosporin

3703.73

3865.21

40082.59

42398.40

Ceritinib

14664.88

9860.33

-

Cetirizine

160815.47

125312.07

-

Cetrimide

3437.58

2419.86

-

Chaps

7606.65

6056.74

5049.30

5784.24

Charine

7678.16

5285.68

-

Chebulinic acid

2611.93

2536.31

-

Chenodeoxycholate 7-monosulfate

15373.59

17968.81

-

Chidamide

11513.12

10088.97

-

Chlorcyclizine

8044.76

9218.12

-

Chlorophorin

3364.28

4913.00

-

Chlorotrianisene

2580.97

2365.22

-

Chloroxuron

16124.44

12645.40

-

Chlorthiophos

5067.07

3307.41

105149.00

105565.86

Cholesterol sulfate

11800.44

13899.47

45266.38

49915.72

Chrycorin

2676.98

2210.95

-

Chrysin

4250.96

3605.16

-

Chrysoeriol

6407.02

6169.88

2524.85

2744.01

C.I. Acid Red 114

28886.07

34610.08

-

Cianidanol

4543.67

3580.43

-

Cibaric acid

25210.47

19465.11

-

Ciglitazone

2872.75

2772.11

-

Cilastatin

3770.59

2114.47

-

Cilostazol

19429.44

16363.27

-

Cinerin II

1774.45

2232.52

-

Cinflumide

7429.37

6528.62

-

Cinnamic Acid

27394.73

25655.69

-

Cinncassiol C

14356.62

16684.36

-

Cinncassiol C1

19918.93

16429.84

-

Cinncassiol C1 19-glucoside

10576.50

6966.46

-

Cinncassiol D2 glucoside

3073.29

2831.18

-

Cinncassiol E

6526.62

12090.26

-

Cinnzeylanine

16544.40

19096.29

-

Cinnzeylanol

9088.64

6768.24

-

cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene

1255.28

1434.08

-

cis-2-Carboxycyclohexyl-acetic acid

13048.52

9161.52

-

cis-3,4^,5-Trimethoxy-3^-hydroxystilbene

335689.02

280312.85

2032.41

2223.32

cis-3-Hexenyl acetate

6518.24

4824.06

-

cis-3-Hexenyl benzoate

8745.64

18054.80

-

cis-4,10-13,16-Docosatetraenoic Acid methyl ester

7478.95

7852.92

-

cis-Caffeic acid

5673.38

6240.07

-

(+)-cis-Isopulegone

3071.45

2464.65

-

cis-Zeatin riboside

1889.72

1576.41

-

Citalopram aldehyde

5800.15

3952.70

-

Citraconic Acid

10323.45

8396.41

33218.96

29497.44

Citranaxanthin

62829.88

64841.48

1828.23

1961.81

Citrulline

16097.77

17700.43

-

Citrusin E

37105.37

18314.13

-

Clarithromycin

4862.88

9241.09

3170.26

3075.41

Clasto-lactacystin beta-lactone

13560.04

12726.07

-

Clindamycin hydrochloride monohydrate

63542.67

39905.89

-

Clindamycin phosphate

3560.09

3332.33

-

Clofazimine

5723.75

5161.91

-

Clofoctol

3913.32

5739.21

-

Cloprostenol

4884.30

11697.70

-

(+)-Cloprostenol methyl amide

4170.89

1767.24

-

Clorprenaline hydrochloride

5137.90

8431.09

-

Clozapine

18638.03

20774.53

-

Clozapine N-oxide

28350.36

32132.32

-

Cocaine

1783.76

2179.54

-

Cocaine(1+)

2088.31

1333.27

-

Codeine-6-glucuronide

6048.27

4145.66

-

Coenzyme Q8

7658.53

1850.95

-

Colchicoside

9122.87

3734.97

-

Colforsin daropate hydrochloride

8599.22

16941.26

12743.96

12573.94

Colneleic acid

1459.77

1271.53

-

Columbianetin

3527.52

2397.69

-

Combretastatin A4

40679.70

29890.32

-

Coniferyl alcohol

2607.16

2118.88

-

Contignasterol

17271.16

15064.53

-

Copalyl diphosphate

20684.55

9311.37

-

coproporphyrinogen III

18610.89

13429.52

-

Coralyne chloride

2711.96

3071.46

-

Coroxon

51762.70

63422.07

-

Cortexolone

83181.71

81813.40

-

Cortisol 21-sulfate

1361.99

1179.32

-

Cortisone acetate

4908.15

4578.43

-

Coumarin Suberoylanilide Hydroxamic Acid

9887.76

8360.21

-

Crinamidine

37585.26

32649.88

-

Crinecerfont

4594.90

2056.25

-

Crocin

10648.13

5308.56

-

Croconazole

9997.13

7604.83

73603.57

71560.54

Cryptopleurine

54090.49

40973.68

-

Cuauchichicine

9977.84

4206.27

-

Curtisian N

31832.22

27190.97

-

Cyano-4-hydroxycinnamic acid

8514.38

7120.89

-

Cybutryne

12809.31

14729.24

-

cyclic Melatonin

12840.56

8112.21

-

Cycloastragenol

5971.96

6821.06

-

Cyclobenzaprine

12136.75

10521.48

-

Cyclo(D-trp-D-asp-pro-D-val-leu)

24188.46

18805.97

4507.59

3058.51

cyclo[Gly-Ile-Val-Tyr-Phe-Pro]

22002.50

13949.85

-

Cyclo(L-Phe-L-Pro)

33138.19

26768.87

-

Cyclopassifloic acid B

255241.65

273483.70

-

CYCLOPIAZONIC ACID

10585.35

13981.46

-

Cycluron

19681.61

14426.69

-

Cymoxanil

22930.06

14546.15

-

Cynaropicrin

22299.58

15464.45

-

Cysteinyldopa

1457.16

2174.81

-

Cysteinyl-Methionine

5142.16

3378.11

-

Cystine

3028.26

5274.33

-

Cys-Tyr

13060.28

11007.57

29065.71

33540.04

Cytochalasin H

1115.15

635.11

3222.39

3537.64

cytosyl-4^-oxo-beta-D-glucuronate

5751.86

5947.54

-

D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose

1088.34

820.27

-

Daidzein

38396.48

19750.52

5365.68

5343.83

Daidzein 4^-O-glucuronide

4613.96

4045.43

3700.78

4292.56

Daidzin

13411.83

11459.29

137148.62

96220.81

D-Alanyl-alanyl-poly(glycerolphosphate)

1485.49

726.04

-

D-Allose

34272.32

28563.13

181770.23

171789.31

Daphnandrine

5525.26

4203.08

-

Daphnoline

11092.88

7195.18

-

D-Arabinono-1,4-lactone

6807.89

6166.46

-

Dauricine

7624.82

6101.02

-

d-Camphoric acid

33535.01

26922.17

-

Deacetoxy(7)-7-oxokhivorinic acid

37491.60

27161.03

-

Deacetyldiltiazem

36824.03

29500.39

-

Deazaflavin

5795.30

4941.31

-

Debromohymenialdisine

11513.82

7161.21

3621.90

3596.29

Decaline

10962.08

7090.95

-

Decanoylcarnitine

4703.98

2096.52

-

Decaprenyl phosphate

5686.64

3678.73

21348.03

16075.10

Dechloro ethylcloprostenolamide

20127.01

12850.25

-

Dehydrocarpaine I

74941.75

86206.35

-

Dehydrocarpaine II

137708.65

145490.98

-

Dehydro-D-arabinono-1,4-lactone

8993.78

8397.36

-

Dehydrodiisoeugenol

1656.97

1472.32

-

Dehydroepiandrosterone sulfate

6308.44

10404.43

14389.53

16053.27

Demethyl-desacetyl-rifamycin SV

9748.73

7005.54

-

Demethylsuberosin

1769.04

1294.68

-

Dermorphin

2491.11

2433.48

-

Derrubone

16951.07

19863.68

-

D-erythritol 1-phosphate

1771.30

2284.96

-

D-erythro-Imidazoleglycerol Phosphate Monohydrate

20113.39

23556.84

-

D-erythrulose 1-phosphate

19212.44

21010.76

-

Desmethylastemizole

8682.23

6518.63

-

Desmethylcitalopram

3911.04

3810.26

-

Desmethyltamoxifen

8783.77

6549.10

-

Desmosterol

265938.48

275150.29

-

Devapamil

36026.51

35239.18

-

D-fructofuranose

3236.40

2802.31

5679.80

6442.81

DG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)

2571.44

1595.35

-

DG(18:0/20:3(5Z,8Z,11Z)/0:0)

14332.65

11595.66

-

DG(18:2(9Z,12Z)/24:1(15Z)/0:0)

1121.15

1349.70

-

DG(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)/0:0)

9144.88

5521.44

-

DG(18:4(6Z,9Z,12Z,15Z)/20:0/0:0)

81758.43

71767.82

-

DG(20:0/20:4(8Z,11Z,14Z,17Z)/0:0)

5832.49

4722.43

-

DG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)

33236.21

15868.50

-

DG(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)

72470.48

57387.77

-

DG(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)

1407.35

796.71

-

DG(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/0:0)

3641.45

3227.89

-

DG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0)

90968.02

47163.08

-

DG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/0:0)

9408.86

6707.67

-

DG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)

14451.90

11891.78

-

DG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)

21221.61

12270.19

-

DG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)

5916.68

2319.54

-

DG(20:4(5Z,8Z,11Z,14Z)/24:0/0:0)

5800.82

9544.70

-

DG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/0:0)

14120.22

12018.48

-

DG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)

5370.52

4388.39

-

D-Glucono-1,5-lactone 6-phosphate

20625.47

19198.24

-

Diacetyldideisovaleryl-rhodomyrtoxin

30560.27

29035.63

5742.37

5282.62

Dibenzepin

1296.80

1547.09

-

Dibucaine

2272.40

1196.08

-

Dicaffeoylputrescine

4563.78

6983.26

-

Dichloromethane

2962.15

3404.27

-

Dichlorprop-P

173723.62

202549.24

59612.30

63241.89

Dichotomin J

8650.52

4341.05

-

Dichotomoside D

5306.24

3930.42

-

Didemethylasterriquinone D

2719.89

2679.68

-

Didemethylcitalopram

30233.67

19216.94

-

Diellagilactone

3635.14

3501.99

-

Dienestrol

5391.87

4143.27

-

Dienogest

15679.00

19346.43

5546.10

5402.59

Diethylstilbestrol

9702.90

12345.10

-

Diethyl sulfate

1640.47

2932.63

-

Difloxacin

12815.60

9236.48

-

Digitogenin

24596.43

22918.60

-

Diguanosine-5^-triphosphate

17413.19

23977.51

-

Dihydroartemisinin(DHA)

22225.46

16253.06

-

Dihydrocelastryl diacetate

20792.93

19603.17

-

Dihydroclavaminate

4228.62

4809.39

-

Dihydroconiferyl alcohol

1108123.74

909288.14

2031.12

3402.82

Dihydrodeoxy-8-epiaustdiol

12038.80

9487.46

-

Dihydroferulic acid

47001.48

40914.03

-

Dihydrogambogic acid

11213.51

12274.97

-

Dihydrophaseic acid

38342.07

39497.59

-

Dihydropteroate

11377.68

8081.57

-

Dihydrosterigmatocystin

7306.49

5286.08

-

Dihydroxyacetone phosphate

5686.64

8018.12

3022.39

2770.04

Dihydroxycitracridone I

11740.42

6014.15

-

Dihydroxyphenylalanine

2377.16

2757.66

-

Dihydrozeatin-O-glucoside

2136.48

2912.38

-

Diisononyl phthalate

25491.73

21131.88

-

Dimethylenetriurea

4930.33

4034.91

-

Dimethylpropiothetin

3556.85

4081.25

-

Dinaciclib

38388.66

35592.91

3480.43

3160.68

Dinitrosopentamethylenetetramine

4433.07

3736.12

39595.17

34217.66

Dinoseb

8653.69

10853.79

-

Dinoterb

1538.98

472.22

-

Dioleoyl phosphatidate

1971.57

1574.84

-

Dioleoylphosphatidic acid

32126.63

16924.35

-

Dioncophylline A

2597.27

2717.90

-

Diphenolic acid

1309628.36

1015523.23

-

Diquafosol

1517.34

1244.84

-

Disodium succinate

8009.49

5720.81

-

Disperse Red 17

1322.76

974.65

-

Disperse Red 60

3325.84

3291.72

-

DL-Pantothenic acid

2200.89

1786.22

49246.53

51385.43

D-Lyxose

18124.07

13546.03

-

Dmg-mino

5099.18

5590.04

12397.72

13854.26

d-Myo-inositol 4-monophosphate ammonium salt

5102.51

5067.77

-

Docetaxal

18813.77

10425.98

-

Docosahexaenoic acid

376926.08

316253.42

-

Docosahexaenoic Acid Glycine

1907.79

2173.15

-

Docosahexaenoyl Serotonin

5936.86

4504.48

11490.46

11615.46

Docusate

2747.40

1073.82

-

Dodecanoic acid

1760.90

3733.32

5659.02

6286.32

Dodecyl glucopyranoside

49857.37

40880.44

12604.64

10735.45

Dodecyl sulfate

18703.27

26422.56

3298.63

3828.55

Dolastatin 10

15492.45

16742.57

-

Domoic acid

2933.11

2256.96

-

Donepezil

63450.00

44257.75

-

Dopgal

9137.68

7405.41

-

D-Pantothenoyl-L-cysteine

11604.23

16277.73

13200.38

13682.52

D-Ribitol-5-phosphate

7031.16

15625.01

-

Dronedarone

12287.36

23518.09

7935.46

6633.39

D-Tyrosine

3476.51

2852.39

-

Dukunolide A

6091.66

5868.79

-

D-Urobilin

11053.64

8969.86

-

Dye X-732-100Ea

2554.97

1893.33

-

(E)-11-methyldodec-2-enoic acid

7215.14

4160.15

-

[(E)-1-(4-methoxyphenyl)-3-phenylprop-2-enyl] hydrogen sulat...

2523.44

2477.01

-

(E)-3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)-2-hyd...

6458.59

4889.81

-

()-(E)-3-Methyl-4-decen-1-yl acetate

17109.38

12591.04

-

(E)-5-(4-Methoxystyryl)benzene-1,3-diol

21429.55

23527.86

-

Echinacoside

7657.62

6972.79

-

(E,E,E)-Sylvatine

12100.18

5905.81

-

Egonol gentiobioside

4709.96

1757.30

-

Eicosapentaenoic acid

9850.31

14109.76

31272.28

32395.96

(E)-indol-3-ylacetaldoxime

18201.26

13740.85

-

Elagolix sodium

6282.48

5359.56

-

Elaidic acid

4381.61

4923.69

-

Elatin

7555.54

6079.16

-

Eleutheroside C

1580.53

1557.46

1706.74

1546.00

Embelin

93154.20

69513.40

-

Emetan, 6^,7^,10,11-tetramethoxy-

13268.55

10265.68

45169.03

48872.09

Emodic acid

3596.52

3507.47

-

(E)-N-(2-(((3-(4-Chlorophenyl)allyl)(methyl)amino)methyl)phe...

3679.87

4292.30

18777.12

14043.27

Endoxifen sulfate

9272.37

8678.78

-

E-Norendoxifen

35702.24

19001.17

-

ent-17-Acetoxy-16b-kauran-19-al

15355.66

17745.14

-

(ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-me...

29262.24

29056.40

-

ent-Epiafzelechin(2a->7,4a->8)epiafzelechin 3-(4-hydro...

60546.31

43094.51

-

Enterodiol

3365.01

3776.23

-

Epiandrosterone

118308.06

56458.75

-

Epidihydrophaseic acid

22758.37

18555.57

-

Epinephrine sulfate

11426.42

10167.78

-

Epipodophyllotoxin, 4^-demethyl-, 9-(4,6-O-2-thenylidene-bet...

4965.92

4619.89

-

Epothilone D

43022.10

31736.17

-

Epoxyfumitremorgin C

6923.76

5772.27

-

Equol

2323.59

1686.68

-

Ergonovine

13858.42

12265.48

-

Ergosta-2,4,24-trien-26-oic acid, 6,14,17,20,22-pentahydroxy...

2168.97

2134.14

-

(+/-)-Eriodictyol

4847.08

5625.82

-

Erlotinib

12796.16

10850.93

-

(-)-erythro-Anethole glycol 2-glucoside

11725.92

11271.11

-

Erythronolide B

20262.02

13855.36

-

Erythrose

5578.75

4345.90

62468.50

65040.71

Escitalopram

26309.99

21800.78

-

Estradiol-17 3-sulfate

10309.42

9923.25

-

Estradiol-17-phenylpropionate

71400.58

34558.62

7888.51

6372.59

Estradiol benzoate

124036.80

117455.85

-

Estrogens, Conjugated

9165.92

8835.73

-

Estrone glucuronide

21847.61

21649.47

-

Ethamoxytriphetol

4306.89

4081.59

-

Ethionamide

15489.17

11739.05

1124.91

863.66

Ethofumesate

9951.13

9363.44

-

Ethyl 2,4-dihydroxy-6-(trifluoromethyl)nicotinate

3383.90

3709.85

-

ethyl 2-cyano-3-(1h-indol-3-yl)prop-2-enoate

11161.70

7421.89

-

Ethyl 3-formyl-2,4-dihydroxy-6-methylbenzoate

26779.12

23629.80

-

Ethylene thiourea

2119.30

1971.44

-

Ethylmalonic acid

3201.36

1419.07

-

Ethyl salicylate

256176.06

193043.24

-

Ethyl tetradecanoate

37580.54

29334.34

-

Etocarlide

7544.96

6869.77

-

Euglobal VII

50620.15

43655.79

-

Eurycomalactone

12369.90

10011.65

-

FAA(18:1)

149584.48

134973.74

-

Fahfa(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14-O-22:6(4Z,7Z,10Z,13Z,16...

3973.04

3668.25

-

Faicar

2953.63

2591.60

-

Farnesiferol A

2915.77

3257.09

-

Farnesyl acetate

20756.73

33267.93

-

Farnesyl phosphate

4517.24

4159.41

-

Farrerol

2637.62

2568.20

-

Febuxostat

201944.06

145101.89

-

Fenamidone

9256.10

7101.53

-

Fenofibrate

3943.23

4125.30

-

Fenpropimorph

8117.94

6578.92

-

Fenpyroximate

3804.44

2791.46

-

Fentanyl

2411.33

1816.82

-

FFA(11:0)

10145.05

11249.56

-

FFA(14:0)

23589.54

40262.49

-

FFA(15:1)

26143.59

20760.12

-

FFA(16:1)

12478.30

11529.55

51886.91

53297.97

FFA(20:4)

30541.87

37670.35

-

FFA(22:5)

25356.17

26004.96

271507.56

220750.37

FFA(22:6)

2084.24

4537.20

-

Filixic acid BBB

3182.64

2712.23

-

Fipronil

18802.86

27237.87

-

Fissinolide

23175.37

16749.41

-

Flavidulol C

19495.86

17284.14

-

Flavin adenine dinucleotide

36128.30

28792.49

5970.50

6515.32

Flavin mononucleotide

18544.91

16248.22

7056.81

6758.91

Flavylium

1797.88

1754.97

-

Flecainide

6334.87

5559.35

-

Flibanserin

39605.38

24234.29

-

Floionolic acid

51820.88

31100.04

-

Flonicamid

8289.35

7283.16

-

Flubendiamide

43552.84

48941.16

-

Flumequine

14402.73

10544.43

-

Fluocinolone

6861.58

4710.48

-

fluorobenzoylpropionic acid

9503.22

6432.15

-

Flurbiprofen

128766.80

90377.88

-

Fluvoxamine Acid

11463.29

8922.37

-

Fmoc-L-leucine

13690.46

10199.97

-

Foramsulfuron

41829.09

38457.83

-

Formononetin

11353.01

8420.92

-

Formothion

1901.05

1156.90

-

Formylanthranilic acid

1836.04

1336.47

-

Fragransol A

29290.16

17140.27

-

Fraxin

15506.52

11099.79

-

Fuc1-2Gal1-4GlcNAcSp

22401.51

24939.76

-

Fumagillin

61079.72

39445.91

-

Fumarate

3819.16

2823.07

-

Fumonisin b2

3580.97

1225.66

-

Fusicoccin H

16563.07

19486.98

-

Fusidate sodium

8657.02

6001.31

-

Gabunine

8372.66

6804.77

-

Gal(1-3)[Fuc(1-2)]Gal(1-4)GlcSp

15498.37

10929.74

25275.81

28087.63

Gal1-3[Fuc1-4]GlcNAc1-3Gal1-4GlcNAcSp

21215.40

14558.77

-

Gal1-3Gal1-4GlcSp

9438.11

5950.68

119905.38

125741.95

Galbeta1,3GlcNAc

14535.68

12331.42

47075.31

43398.22

GalNAc1-4GlcNAcSp

3664.59

4048.55

25255.16

26945.04

Gambiriin A1

2206.47

4096.00

-

Gamma-CEHC

44710.44

41207.63

17664.88

18123.93

gamma-D-Glutamylglycine

24492.12

27342.54

-

gamma-Glutamyl-beta-aminopropiononitrile

1580.33

1020.44

-

gamma-Glutamyl-gamma-aminobutyraldehyde

4665.24

4601.26

-

gamma-Glutamyl phosphate

4966.72

4886.10

18984.35

20456.54

gamma-Linolenic Acid

39186.55

29821.92

14036.17

13001.40

Gamma-Mercholic Acid

40579.10

34956.00

-

Gancaonin Q

7089.70

13879.30

-

Ganoderic Acid C2

5143.96

4111.66

-

ganoderic acid S

17035.76

25181.61

-

Ganoderiol G

49983.19

46751.12

-

ganoderol A

111582.34

107306.80

3720.98

3997.67

Geissospermine

29290.09

18735.01

1119.15

886.45

Gemcitabine 5^-diphosphate

11611.13

9724.71

-

Gemfibrozil

6451.91

6046.98

10202.12

8861.69

Genistein

11722.95

11851.29

2134.91

3153.17

Geranyl diphosphate

23084.36

19162.94

-

Germacra-1(10),4,11(13)-trien-12-al

1161.84

1891.72

-

Gibberellin A29

2324.64

2131.41

-

Gingerol

3547.81

3714.51

-

Ginkgolic acid

17982.31

12199.44

-

Ginkgolide C

2612.26

539.89

-

Ginsenoside F1

84276.29

82245.46

3156.53

3440.78

Ginsenoside RG1

31280.61

21105.05

-

Ginsenoyne L

23419.01

29377.61

-

Ginsenoyne N

13939.27

14696.41

-

Glabridin

6293.48

2953.72

-

Glafenine

9357.28

8244.37

-

Gliclazide

35591.92

38973.83

3315.50

3486.88

Gln-Asp-Leu-Glu

8302.01

6971.49

-

Gln-Leu-Glu

22502.61

17908.99

-

Gln-Leu-Glu-Lys

1766.10

1147.98

47517.79

46578.11

Gln-Leu-Thr-Asp

8277.34

7711.12

-

Gln-Ser-Ile-Lys

37738.96

26987.72

-

Glu-Arg-Phe-Asp

16331.15

12212.32

-

Glu-Asp-Lys-Glu

129607.00

91343.12

-

Glu-Asp-Thr-Glu

29819.81

12156.57

261225.27

288663.59

Glu-Asp-Val-Asp

5653.74

4251.32

-

Glucoconvallasaponin B

15039.54

7653.73

-

Glucoliquiritin apioside

10549.28

4151.31

-

Glucotropaeolin

73857.64

59655.47

-

Glucuronic Acid

15266.49

12391.63

24197.72

18619.94

Glu-Gln-Phe-Arg

4011.40

5916.90

-

Glu-Leu

32075.74

24945.14

21175.81

23473.29

Glu-Phe-Asp-Glu

33087.80

24334.19

-

Glu-Phe-Thr-Asp

6531.49

5796.80

-

Glutaric acid

24156.27

13692.53

-

Glutathione

9059.94

4685.33

-

Glutathionylspermine

2094.39

1216.21

2452.50

2398.62

Glu-Tyr

64280.46

47879.19

1934.47

1766.95

Glu-Tyr-Ala-Asp

18544.86

14833.21

-

Glyceraldehyde

27657.21

17881.37

10149.07

13500.97

Glyceric acid

3605.71

4259.24

2815.07

2319.52

Glycerophospho-N-Arachidonoyl Ethanolamine

47615.71

37675.37

18568.54

14505.79

Glycerophosphoric acid

3319.31

4167.84

-

Glycochenodeoxycholic acid

17120.10

17464.77

-

Glycocholic acid

32650.82

25418.87

5019.43

6119.39

Glycohyodeoxycholic acid

13307.41

9931.40

-

Glycosyl-4,4^-diaponeurosporenoate

4786.92

3890.40

-

Glycyl-H 1152 dihydrochloride

4477.39

3666.53

-

Gly-His-Val

1666.35

1669.22

-

Gly-Leu-Phe

3539.52

3098.97

-

Glyoxylic acid

9539.03

9424.13

-

Gly-Trp

5735.31

6577.59

2425.15

2941.59

gold(1+);(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymet...

42850.93

28379.06

-

Griseophenone

8281.99

20060.50

-

Guaiacyl phenylacetate

1694.71

2609.46

-

Guanosine 3^,5^-Cyclic Monophosphate

10487.47

6320.45

5320.62

4798.40

Guanosine-5^-diphosphate

14494.11

12631.29

-

Guvacine

87333.03

76879.52

60921.04

59776.55

GW 590735

3440.32

4985.34

-

Haematommic acid

3839.07

3991.82

-

Haplophytine

7783.45

10760.43

-

Harmine

96355.85

74672.33

-

Harpagoside

3001.68

1734.91

3686.14

3359.64

H-beta-Ala-DL-leu-OH

3764.99

3549.29

-

heliocide H4

3235.58

5951.80

-

Hematoporphyrin

6866.85

7588.07

-

Hemibrevetoxin B

15555.33

36197.59

7464.36

6132.64

Hericenone G

1200.60

1014.85

-

Hesperetin

69057.04

66485.23

-

Hesperidin

498965.31

405771.49

-

Hex2ulof( 2-6)Hex2ulof( 2-6)Hex( 1-2 )Hex2ulof

4328.66

3640.73

-

Hexahydro-1-[4-(9-benzyl-9H-fluorene-9-yl)-2-butynyl]-1H-aze...

4213.91

2369.21

-

Hexahydrocurcumin

3724.87

6356.30

-

Hexamethylene bisacetamide

23513.99

20011.44

-

Hexanoic acid

9540.51

6760.00

-

Himbacine

3859.88

3701.42

-

Hippomane factor M1

16370.60

18000.13

1488.91

1652.48

Hippuric acid

21610.40

11237.72

19161.64

20246.96

His-Ala-Phe-Lys

44432.72

35594.96

-

His-Asn-Ile-Asp

9912.28

6587.94

-

His-Asn-Phe-Lys

12486.41

18418.35

-

His-Gln-Asn-Glu

2970.19

1515.28

-

His-Gln-Val-Lys

56591.05

46359.00

6115.15

5965.24

His-Glu-Ile-Glu

2881.12

2920.33

-

His-Glu-Phe-Glu

6984.97

5155.76

81526.63

78532.47

His-Met-Met

3870.41

5208.66

-

Hispaglabridin A

23948.40

20325.31

-

His-Phe

13143.97

9352.58

-

His-Phe-Asp

7056.56

5198.96

-

His-Pro-Asp

2167.96

1443.35

-

His-Ser-Leu-Lys

7783.61

8322.74

-

His-Ser-Lys-Lys

33418.28

31886.21

3521.07

3416.56

Histidinyl-Asparagine

9364.29

6329.13

-

Histidinyl-glutamine

7185.83

5967.06

-

Histrionicotoxin

10219.53

6739.66

-

His-Tyr-Gln-Asp

2966.45

2284.68

2730.29

3200.29

H-Leu-Asp-OH

37638.15

35835.13

-

HMBOA-Glc

9890.64

8094.21

-

HMT-toxin

10656.99

9368.46

-

Homaline

45198.04

39441.53

64832.48

38019.89

Homocapsaicin

3379.49

3119.34

-

Homocitric acid

6465.73

7457.54

15523.14

15359.44

Homodihydrocapsaicin

8805.07

7828.52

-

Homovanillic acid sulfate

15338.36

11724.19

-

HoPhe-Gly-OH

22570.45

20203.75

-

HoPhe-Phe-OH

5172.25

6974.41

2447.95

2679.16

Humic acid

5008.07

5483.09

-

Hycanthone

105043.05

61371.36

-

Hydralazine pyruvic acid hydrazone

5810.02

5476.25

-

Hydrocinnamic acid

13919.08

10963.76

8734.10

9833.12

Hydrocortisone acetate

18602.34

13708.73

-

Hydrocortisone sodium phosphate

5479.67

8588.87

-

Hydrolysis product OF bussein

13853.48

6447.72

-

Hydron;2-hydroxypropane-1,2,3-tricarboxylate

1589.85

2908.68

11011.16

11384.00

Hydroxyisocaproic acid

2509.76

3524.95

3526.36

3281.01

Hydroxymethylbilane

1630.87

1321.37

-

Hydroxyprogesterone

23750.38

28454.19

-

Hydroxyprolyl-Cysteine

10734.18

5469.40

-

Hydroxy Ritonavir

1552.79

1162.92

-

Hydroxystenozole

1274.96

1542.79

-

Hydroxystreptomycin

18370.45

15971.41

-

Hydroxytyrosol 1-O-glucoside

9819.31

6015.14

-

Hymatoxin A

2335.01

1183.15

-

Hyperforin

14250.24

14197.93

-

I(-)

27855.17

35029.45

9507.84

11374.06

Ibipinabant

526887.06

507745.33

-

Ibrutinib

37339.19

31787.15

-

Ibuprofen

65297.14

87032.85

-

Icacine

2497.26

846.82

-

Icariin

3738.89

1089.80

-

Idelalisib

5650.59

3483.38

-

Ile-Abu-OH

24935.82

18728.64

6550.78

5473.48

Ile-Ala-Gln-Asp

16094.71

12123.19

-

Ile-Arg-Asn-Asp

6907.31

3525.20

-

Ile-Asn-Val-Asp

7102.05

7237.56

-

Ile-Asp-Phe-Arg

18172.24

13076.91

2254.02

2257.63

Ile-Gln-Phe-Arg

3867.23

2164.68

-

Ile-His-Ala-Glu

78883.40

57583.24

-

Ile-His-Asn-Glu

5580.10

4952.00

-

Ile-Leu

3877.13

3556.89

-

Ile-Leu-Leu-Gly-Ala

21424.95

13930.06

-

Ile-Lys-Gln-Asp

47587.51

37859.98

-

Ile-Phe-Asp-Arg

4728.42

2835.81

-

Ile-Ser

49536.32

43823.23

-

Ile-Ser-Thr-Glu

3284.98

2717.37

-

Ile-Ser-Val-Asp

21837.70

12567.97

-

Ile-Thr-His-Asp

28919.62

25161.03

5055.10

5296.24

Ile-Tyr-Val-Arg

11906.80

10640.80

6332.24

6361.35

Imidocarb

35796.68

38307.45

-

Indole-3-propionic acid

37226.85

32825.42

-

Indole-4-carboxaldehyde

32912.28

31558.37

-

Indoleacetic acid

13362.05

9979.76

-

Indolmycin

44811.55

33486.41

-

Indolocarbazole nitrogen derivative

4219.47

4494.37

-

Indoximod

14425.29

9521.12

-

Inumakilactone A glycoside

7033.09

7264.26

-

Inundatine

19419.23

14328.26

-

Ipragliflozin

67102.60

62916.76

-

IRIFLOPHENONE TRIMETHYL ETHER

32433.45

27074.80

-

Irisxanthone

7560.64

4662.67

-

Isatidine

8028.47

6851.00

-

Isoambrettolide

2327.95

2253.69

-

Isoamericanol A

30154.97

18534.61

-

Isococculidine

12419.29

5729.89

-

ISODUARTIN METHYL ETHER

11028.98

11637.58

-

Isoferulic acid

12028.47

7905.78

-

Isohumulinone A

286918.91

226640.29

-

Isolimocitrol 3-glucoside

4870.46

2099.05

-

Isolobinine

13245.25

10383.19

-

Isoniazid

2793.36

2296.35

6072.35

5460.75

Isonicotinic acid

9451.89

7927.90

-

Isopiperolein B

3206.58

2023.36

-

Isorebaudioside A

7748.16

5939.05

-

Isorengyoside

1314.40

1235.57

-

Isoroquefortine

6880.28

3968.62

-

Isosteviol

32310.07

19064.95

-

isovaleryl-Val-Val-Sta(3xi,4xi)-Ala-Sta(3xi,4xi)-OH

204658.58

163424.03

3646.51

4545.56

Isovanillic acid

5261.20

3634.47

-

Ixazomib

153391.22

112409.65

-

Janthitrem G

6757.77

4091.78

2182.88

2208.09

Jasmolin II

4518.04

4289.27

-

Jatrophone

20012.64

21072.75

-

JKC-302

14997.53

12314.92

-

Josamycin

3547.94

2876.32

-

JWH 018 6-hydroxyindole metabolite

21942.41

18502.26

4621.18

4949.42

JWH 018 N-pentanoic acid metabolite

18927.45

16210.75

-

JWH 073 4-hydroxyindole metabolite-d7

7008.37

6234.70

-

JWH 073-d7

25820.45

20112.13

-

JWH 073 N-(4-hydroxybutyl) metabolite-d5

3320.78

2544.62

-

JWH 073 N-butanoic acid metabolite

4114.32

3120.40

-

JWH 122 2-methylnaphthyl isomer

2695.84

1453.41

-

JWH 200 2^-naphthyl isomer

25670.48

19386.31

-

JWH 250 N-(5-carboxyxypentyl) metabolite

33145.18

22944.08

-

kaempferol 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyran...

34485.92

24448.76

-

Kaempferol 3-sophoroside-7-glucoside

14992.25

14010.71

-

Kalihinol A

27378.95

26609.14

-

Kandelin A-1

36611.81

24728.71

-

Kansuinine B

2466.04

2977.74

-

Ketoleucine

106888.49

96622.81

-

Ketoprofen

287569.62

274432.11

-

Ketoprofen glucuronide

5651.77

8556.16

-

Kifunensine

31712.55

37036.52

11305.25

10699.70

Kikkanol E

6049.83

3886.28

14048.64

15326.97

Kinetin riboside

3015.61

3433.69

-

Kobusone

20318.65

20501.25

9085.34

9307.84

Koenigine

2880.91

2518.30

-

k-Strophanthoside

3407.71

2033.85

-

Kyotorphin

18264.63

17131.08

-

L-3-Hydroxykynurenine

3231.82

5488.15

-

Labadoside

3211.55

3282.42

-

Labriformin

1435.66

716.60

-

Lactacystin

25216.61

16967.02

-

Lactapiperanol C

6600.51

3973.30

-

Lactapiperanol D

9351.90

5147.38

-

Lactic acid

79560.36

63460.75

32332.93

29121.95

Lacto-N-fucopentaose-2

1346.15

918.74

-

Lacto-N-tetraose

1520.57

1084.91

11309.78

11090.36

Lactulose

11455.50

9883.48

284110.32

307829.52

Lactupicrin

4392.11

3301.15

-

L-Alanyl-L-tryptophan

16430.80

12213.04

-

L-Allysine ethylene acetal

11648.60

8839.98

-

L-a-Lysophosphatidylserine

31264.24

23120.02

29073.37

22591.19

Landomycin D

6583.65

6398.80

-

Landomycin J

9515.54

8399.40

-

Lankacidin C

10924.22

6893.77

-

Lapachol

164466.12

149972.21

3096.06

2403.42

Lasalocid

16346.40

17756.93

-

Latanoprost ethyl amide

43127.97

47366.14

-

Latrunculin a

8182.47

7377.22

-

Lavoltidine

4240.46

2854.08

-

L-cis-Cyclo(aspartylphenylalanyl)

8219.32

7252.25

-

L-cystine

10908.93

9304.72

-

L-Dihydroorotic acid

11176.61

11688.76

-

L-Dopa

1693.95

1534.89

-

L-DOPA 3^-glucoside

4013.71

2631.55

-

Leiocarposide

13170.94

11837.91

-

L-Erythrulose

6722.71

6215.82

62121.97

57906.14

L-erythrulose 4-phosphate

7618.17

7231.44

-

Letrozole

6470.00

4562.81

-

Leu-Arg-Gly-Pro-Ser

25048.87

16996.69

5376.88

6305.57

Leu-Asp-Glu-Lys

14029.94

10691.34

-

Leu-Asp-Val-Lys-His

70569.47

74049.48

-

Leucinic acid

215799.00

184032.69

-

Leu-Gln

7312.34

7407.22

-

Leu-Glu-Asp-Arg

108765.27

82730.80

-

Leu-Glu-Cys-Glu

24876.43

18707.70

-

Leu-Glu-Tyr-Asp

20566.44

19716.08

-

Leu-Ile-Pro-Leu-Leu

3289.47

3770.09

-

Leu-Ile-Ser-Glu

14649.32

14256.57

-

(-)-leukotoxin B

1392.53

1067.34

-

leukotriene D4

2242.82

4474.98

-

leukotriene E4

7008.90

5197.12

-

Leu-Met-OH

61269.28

45470.67

4699.92

4399.06

Leupeptin

4842.45

3877.90

-

Leu-Phe-Ala-Glu

5276.98

4045.16

-

Leu-Phe-Lys-Lys

49848.40

49861.38

-

Leu-Pro-Val-Leu-Glu

2664.05

2695.37

-

Leu-Ser-Ala-Asp

4619.89

6396.85

-

Leu-Ser-Phe-Met-Gln

18643.91

15678.16

-

Levocabastine

2781.10

3948.67

-

Levocetirizine

5747.76

5505.74

-

L-galactono-1,4-lactone

17183.47

16940.30

8810.54

8909.96

L-Glutamic acid

67840.29

85677.27

12245.97

11786.22

L-glyceraldehyde

1456.75

1087.67

-

Licoisoflavone A

3564.52

4816.63

-

Linifanib

4276.18

3884.62

-

Linustatin

8618.81

5308.48

-

Liquiritin

11127.17

11674.20

-

L-Isoleucine

19538.95

18595.76

1792.85

2182.10

Livalo

3507.57

8977.95

-

L-Norleucine

306799.94

265625.09

5339.17

5590.59

Lobaric acid

6787.57

4731.98

8770.82

10747.91

Loganin

19723.86

13393.56

15291.36

12254.23

Lolicine A

7206.47

5441.16

-

Lomefloxacin

6165.51

5397.26

-

Lonicerine

4073.36

7556.57

-

Lonijaposide C

1521.66

1867.58

-

Lophotoxin

6663.23

4511.48

-

Lopinavir

7566.06

5996.24

-

Loteprednol etabonate

2619.15

2316.03

-

Lovastatin acid

94787.57

118618.36

14168.32

14308.95

LPA(18:3(6Z,9Z,12Z)/0:0)

13337.27

15568.83

-

LPA(20:3(8Z,11Z,14Z)/0:0)

2780.95

2224.87

-

LPC(0:0/18:2)

14429.36

13777.56

241170.20

178345.14

LPE(0:0/16:0)

10211.40

8448.03

-

LPE(20:4/0:0)

42984.39

39485.94

48316.14

43257.42

LPI(16:0)

19433.83

15416.95

5802.93

4859.48

L-Proline

6145.22

4606.37

8182.88

8746.36

L-rhamnonic acid

200395.17

220368.55

-

LS-Tetrasaccharide b

2976.69

3037.93

-

L-Threonine

5342.23

4930.63

4335.70

4274.95

L-tyrosine methyl ester 4-sulfate

4388.84

5336.61

-

L-Tyrosyl-L-Asparagine

60781.90

51246.14

-

L-Tyrosyl-L-serine

14522.69

8959.99

-

Lucanthone

19385.60

14510.43

-

lucidenic acid A

1138.31

1764.18

-

Lucidenic acid M

10809.10

8926.54

-

Lucidin

110152.83

142772.28

207994.10

203055.83

Lucidone C

17911.07

19254.29

-

Lucyoside K

14149.81

9509.04

-

Lumichrome

14981.77

11530.00

2657.16

2727.15

Luminespib

15594.16

10471.47

-

Lunacridine

101720.58

68601.13

-

Lunarine

5954.89

7555.56

-

Luteoforol

15499.93

10296.68

-

L-Valine

12423.38

10053.84

-

L-xylo-3-hexulose

47631.10

68675.16

-

L-xylo-hex-3-ulono-1,4-lactone

6146.49

11169.22

-

LY-411575

7283.67

3095.13

-

Lyngbic acid

2117.06

1870.06

2861.32

2928.68

Lyngbyatoxin

13450.06

17643.74

-

Lys-Ala-Asn-Lys

5318.78

3262.74

-

Lys-Arg-Leu-Glu

5678.00

4607.62

-

Lys-Arg-Thr-Leu-Arg-Arg

3494.73

3497.20

-

Lys-Asn

9588.24

9969.36

10412.19

12756.58

Lys-Gln-Ala-Gly-Asp-Val

10562.05

8149.66

24823.83

18704.23

Lys-Gln-Asp-Lys

20608.52

17186.16

-

Lys-Glu-Thr-Glu

19802.62

16610.49

-

Lys-HoPhe-OH

18019.70

16183.65

14785.71

15011.64

Lys-Ile-Arg-Asp

37219.58

29168.98

-

Lys-Leu-Arg-Asp

2320.23

1839.41

-

Lys-Phe-Asp-Lys

4111.90

2531.27

-

Lys-Phe-Leu-Glu

2040.42

2048.60

-

Lys-Phe-Tyr

13434.12

8203.96

-

Lys-Ser-Asp-Glu-Met

19072.40

12721.47

-

Lyxo-2-Hexulose

24043.48

18534.10

-

Macluraxanthone

16822.25

12184.01

-

Macrocarpal I

29949.16

71767.94

-

Mactraxanthin

4559.09

2778.78

-

Maculine

2898.74

2554.34

-

Magellanine

10962.21

7043.36

-

magnesium

3739.64

4290.62

-

magnesium;3-[(21S,22S)-26-ethyl-16-(1-hydroxyethyl)-12,17,21...

13820.45

19878.31

-

Mahaleboside

2445.31

2821.53

-

Mahanimbinine

3798.21

2376.00

-

Makisterone A

66014.43

66419.77

2434.04

2136.57

Makisterone B

38744.92

83734.96

103774.20

101679.64

Malabaricano

8054.53

7536.72

-

Malonylcarnitine

73888.70

67570.80

-

Maltose

18592.92

21003.41

294040.46

322712.10

Malyngamide C acetate

8882.48

7411.09

3227.97

2830.30

MAM2201 N-(4-hydroxypentyl) Metabolite

8602.37

5343.72

-

Mandelic acid

21097.73

18147.35

-

Mansonone C

14201.65

9464.83

-

Marbofloxacin

150578.33

115199.46

-

Marinobufagenin

7088.27

12432.09

-

Maslinic acid 3-O-b-D-glucoside

14963.22

13844.78

-

Meclozine dihydrochloride

2436.08

2155.76

-

Mefexamide

13933.42

10881.52

-

Megaphone

3684.51

3940.30

-

Megastachine

6435.30

3823.05

-

Megestrol

7553.01

8596.83

-

Meliantriol

32511.53

25828.06

-

Melibiitol

2837.92

2457.94

7464.90

9235.72

Melilotoside

15557.84

5197.79

-

Melilotoside B

8812.94

8123.60

-

Mercaptopurine

6504.57

6137.89

-

Mesalazine

21572.00

17814.09

-

Methanimidamide, N^-(1,6-dihydro-6-oxo-2-pyridinyl)-N,N-dipr...

6994.06

6685.26

-

Methanofuran b

5533.46

5571.21

-

Methanone, (1-pentyl-1H-indol-3-yl)(4-propyl-1-naphthalenyl)...

8893.94

6147.31

-

Methazolamide

32618.21

31955.14

33361.38

32869.94

METHIONYL-LEUCYLPHENYLALANINE

28556.27

23783.53

-

Methyl 10-gingerol

80462.69

74237.84

-

methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oa...

2546.05

1292.83

-

methyl (1R,2S)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3...

7438.36

8919.68

-

methyl (1S,2R,3S,4R,5R,6S,8R,11R,12R,15S,16S,22R,23R,24S)-3,...

29788.93

21825.15

-

Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside

1463.09

1165.36

-

Methyl (2R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carbo...

9409.41

7562.15

-

Methyl 3,5-di-tert-butyl-4-hydroxybenzoate

2687.08

3268.72

-

methyl (3aS,4S,6E,10E,11aR)-10-methyl-4-[(Z)-2-methylbut-2-e...

8062.08

9784.63

-

methyl 3-ethenyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2-[(2S...

2168.06

2075.98

-

Methyl(7Z,9Z,9^Z)-6^-apo-y-caroten-6^-oate

99812.79

106361.52

128540.82

127557.93

Methyl(9Z)-6^-oxo-6,5^-diapo-6-carotenoate

2629.00

3590.74

-

Methyl (9Z)-8^-oxo-6,8^-diapo-6-carotenoate

1443.09

1517.51

-

Methyl-D-erythritol Phosphate

3218.17

3070.63

-

Methyl hexadecanoic acid

245436.43

404585.02

-

Methylisoeugenol

1961.61

2092.84

-

Methylmethionine sulfonium chloride

4433.61

3509.79

-

Methylprednisolone hemisuccinate

69517.44

71860.04

478248.30

485689.80

Methyl red

10990.50

8497.89

-

Methyltriphenylphosphonium

10140.65

9256.62

-

Metipranolol

1960.14

1058.37

-

Met-Pro-Phe

1901.97

1689.28

-

Met-Ser

2346.02

2730.56

-

Met-Tyr

9434.03

5478.77

-

Met-Val-Phe

1524.32

1277.53

-

Mevalonate 5-phosphate

12354.64

13577.46

1985.25

1949.71

Mevalonic acid

5300.51

4480.15

2813.87

2755.07

Mevinphos

44854.19

35837.79

74619.41

73518.36

Microthecin

1508.86

1022.67

-

Midodrine

11445.40

8127.63

-

Mikamycin B

8806.63

3968.74

-

Milneb

7248.56

7705.48

-

Milrinone

13165.41

7993.05

-

Mimosine

19951.03

18002.97

224280.08

167817.80

Mintsulfide

2586.47

2270.08

-

Miroestrol

7806.56

9258.37

-

Misoprostol(free acid)-d5

3104.26

2023.91

-

Modafinil Acid

7809.65

13195.96

-

Monensin

13078.75

9277.24

-

Monobutyl phthalate

67425.44

57270.38

-

Monomethyl glutaric acid

2011.60

1116.80

-

Morphine N-oxide

6369.07

5219.33

-

Morphinone

2386.35

3058.52

-

Morpholine, 4-(3,4,5-trimethoxybenzoyl)-thio-

2232.52

3633.83

-

Morzid

3582.93

2836.90

-

Moxidectin

3544.52

1768.01

2904.44

2600.05

MS-Ppoh

10076.90

8044.19

-

Mucronustyrene

3530.21

3338.91

-

Mundoserone

47616.47

42060.95

-

Muramic acid

11637.39

5031.14

-

Murrayazolinine

2382.39

1147.97

-

Muzanzagenin

3716.48

1730.33

-

Mycinamicin III

8803.85

7352.26

-

Mycinamicin IV

15385.97

10320.11

-

Mycinamicin VII

6481.97

5654.54

-

Mycophenolate mofetil

10870.23

6538.47

-

Mycophenolic acid

85857.32

77865.68

1829.51

2018.16

Mycophenolic acid acyl glucuronide

10727.50

7707.34

-

Myricetin 3-(6-acetylgalactoside)

3002.02

4187.18

-

Myrsinone

26183.12

21185.68

-

Myxochromide S1

7046.07

3550.75

-

Myxochromide S3

12288.56

7341.37

-

Myxol

3531.30

2716.41

-

N-(1,4-dioxonaphthalen-2-yl)benzamide

33183.72

31085.52

-

N(1)-(5-phospho-D-ribosyl)glycinamide(1-)

1678.01

1671.28

-

N-{1-Benzyl-(2R,3S)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-...

15031.12

14078.08

-

N1,N5,N10-triferuloyl spermidine

37425.45

28140.66

-

N-1-Naphthylbenzamide

9043.42

8042.59

-

n-(1-Naphthyl)benzenesulfonamide

3106.79

3439.51

-

N-[(1S,5S,6R)-5-Hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-...

5466.69

4086.72

-

N2-(1-Carboxyethyl)-L-arginine

26487.66

19473.35

-

N-(2-(4-Bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide

9605.07

10228.83

-

N-(2,4-difluorophenyl)-3-oxobutanamide

2755.28

3151.83

-

n-(2,4-Dimethylphenyl)-4-methylbenzenesulfonamide

5150.59

3976.38

-

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide

20672.12

22689.20

-

N-[(2,6-dimethylphenyl)carbamothioyl]thiophene-2-carboxamide

5012.25

4566.03

-

N-(2-Amino-benzothiazol-6-yl)-acetamide

3625.01

2625.12

-

N-[2-(Dimethylamino)ethyl]-N-methyl-4-[({4-[4-morpholin-4-yl...

5086.30

7136.98

14525.59

19435.83

N-(2-fluorophenyl)-2-phenoxypropanamide

5620.57

3931.43

-

N-[(2-Hydroxy-1-hydroxymethyl)ethyl]-9alpha,11alpha,15R-trih...

1978.99

1355.57

2759.04

3807.21

N-(2-methoxybenzyl)-N-(thien-2-ylmethyl)amine

9882.02

7262.96

-

N2,N2-Dimethylguanosine

60395.94

36042.07

-

N-(2-Oxo-1-Propyl-1,2,3,4-Tetrahydroquinolin-6-Yl)-1-Phenylm...

2513.21

2303.27

-

N(2)-phenylacetyl-L-glutaminate

20297.66

14142.23

-

N-(2-phenylphenyl)-8-[4-(3-pyridinyl)-1-triazolyl]octanamide

7716.43

4715.62

-

N2-Succinyl-L-ornithine

7797.15

5797.94

-

N-[3-[(2-oxo-1-naphthalenylidene)methylamino]phenyl]-2-pheny...

5550.22

5677.57

-

N3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine

7861.25

7579.88

-

N-(3-amino-3-oxopropyl)-5-(dithiolan-3-yl)pentanamide

8258.10

6391.58

-

N-(3-aminopropyl)-3-(3,4-dihydroxyphenyl)propanamide

1280.87

1117.96

-

N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamid...

4430.04

5395.54

-

N-(3-Indolylacetyl)-L-isoleucine

43590.30

26105.81

-

N-(3-nitrophenyl)decanamide

5193.02

4897.71

-

N-[(3s,5s,7s)-Adamantan-1-yl]-1-(5-fluoro-4-hydroxypentyl)-1...

7218.26

4582.91

-

N-(3-(Trifluoromethyl)phenyl)-N^-(2-hydroxy-5-chlorophenyl)u...

25475.12

30633.48

331284.20

300871.77

N-(4-acetylphenyl)benzenesulfonamide

1449.90

1417.21

-

n-[4^-Hydroxy-(e)-cinnamoyl]-l-aspartic acid

35851.22

29954.74

-

N-[(4-methoxyphenyl)carbamothioyl]benzamide

9138.54

13603.19

-

N-(4-methylphenyl)sulfonylbenzenecarbothioamide

5910.62

4878.59

-

N-(4-oxo-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-2-...

4741.87

4479.95

-

N-(5-Adamant-1-yl methoxy)pentyl deoxynojirimycin

5551.54

5497.53

-

N^-(5-chloro-2-hydroxyphenyl)-N-octylpropanediamide

22418.09

19723.32

-

N-(5-phospho-beta-D-ribosyl)anthranilic acid

1392.52

1186.75

-

N-(6-Aminohexanoyl)-6-aminohexanoate

2720.20

3050.45

-

N-(6-aminohexyl)-1-chloro-naphthalene-5-sulfonamide

9962.52

8007.47

242124.60

230791.79

N-(6-Aminohexyl)-1-Naphthalenesulfonamide

4809.03

4383.24

-

N-(6-methoxy-1,3-benzothiazol-2-yl)cyclobutanecarboxamide

2621.04

2711.54

-

N6-Methyladenosine

6862.48

8454.29

-

N6,N6,O-Tridemethylpuromycin-5^-phosphate

8330.24

6345.83

-

N-(9-Fluorenylmethoxycarbonyloxy)succinimide

7357.25

4484.38

-

Nabilone

11326.22

16034.81

-

N-acetyl-5-aminosalicylic acid

10932.38

6541.73

-

N-Acetylaminooctanoic acid

12266.85

10099.12

14560.95

16379.80

N-Acetylcadaverine

10268.21

6966.15

-

N-Acetyldehydroanonaine

6593.01

5155.85

-

N-acetyl-D-glucosaminic acid

56710.49

47108.14

-

N-Acetylglucosamine 1-Phosphate

13215.40

16193.77

40752.21

33116.77

N-Acetyl-L-aspartic acid

19128.15

16353.25

-

N-Acetyl-leu-leu-leu-leu-leu-tyr-amide

9310.25

9653.33

-

N-Acetyl-leu-leu-tyr

21825.72

17198.28

-

N-Acetyl-L-tyrosine

4850.38

4561.60

74149.43

58366.75

N-Acetylmannosamine

2059.76

1959.04

17455.77

14238.58

N-Acetyl-O-demethylpuromycin-5^-phosphate

12208.89

11550.54

-

N-(Adamantan-1-yl)-1-(5-fluoropentyl)-1H-indole-3-carboxamid...

11112.58

18172.02

-

NADH

3369.13

823.97

-

Nafamostat

3986.66

2641.20

-

Nagilactone C

33089.39

30939.65

-

Naltrindole

25546.65

18881.88

-

Nandrolone phenpropionate

29093.35

25488.76

-

Nap-Abu-OH

11321.53

9360.76

-

Nap-Asn-OH

5653.26

4714.62

-

Nap-Gly-OH

3815.23

2559.09

21227.05

22604.75

Na-p-Hydroxycoumaroyltryptophan

21333.97

17903.17

-

Naphyrone 1-naphthyl isomer (hydrochloride)

2761.75

2012.13

-

Naproanilide

14512.13

11383.62

-

Nap-Tyr-OH

5230.70

3932.49

13182.28

12046.21

N-arachidonoylglycine

2939.96

1448.71

-

Narciclasine

13078.80

10049.84

-

Naringin

5606.37

3039.86

-

Navitoclax

10503.99

6891.16

-

Nbd-ceramide

1918.77

1483.39

176714.55

167690.32

N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide

3994.91

2899.41

-

N-(beta-D-glucosyl)nicotinate

13897.64

11385.86

-

Nb-Palmitoyltryptamine

3493.68

3551.87

-

N-Caffeoyltryptophan

3646.95

2799.07

-

NCGC00168838-03_C30H46O5_(1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydr...

4870.58

4322.18

-

NCGC00380900-01_C20H29NO12_2-{[6-O-(beta-D-Glucopyranosyl)-b...

1709.57

1005.92

-

NCGC00385102-01_C18H16O5_2(5H)-Furanone, 4-(2-hydroxy-4-meth...

2895.75

2063.75

-

N-cyclooctyl-4-methylbenzenesulfonamide

1433.60

1250.24

-

N-Demethyldiltiazem

2240.22

1605.96

-

N-docosahexaenoyl phenylalanine

5591.38

7317.73

-

N-dodecanoyl-L-Homoserine lactone-3-hydrazone-biotin

6645.71

5243.47

-

Nebivolol

3395.44

1502.18

-

Nedocromil

5806.82

4278.00

-

Nefiracetam

21603.39

14987.98

-

Nemonapride

3661.20

2926.42

-

Neoacrimarine F

2591.58

4736.74

-

Neoagarotetraose

224594.53

171090.68

-

Neodunol

10779.88

11866.19

-

Neohesperidin dihydrochalcone

8641.10

5330.59

-

Neomycin

2270.11

2012.01

-

Neopetasitenine

23197.54

20749.69

13123.38

14582.18

Neriantogenin

11476.08

10546.30

-

Nerolidyl diphosphate

24297.60

19574.04

-

Neryl rhamnosyl-glucoside

2681.34

2018.23

-

Neu5Ac2-6LacDiNAcSp

3338.84

1490.28

-

Neuronica

16081.67

12095.36

-

Nevskin

11900.96

14945.98

-

N-Formyl-Met-Leu-Phe

2936.97

1535.82

-

N-Glucosylnicotinate

2596.23

3117.13

-

N-Glycolyl-Neuraminic acid

14845.50

18995.86

-

N^-Hydroxy-4-methylbenzenecarboximidamide

24201.34

23470.84

-

N-Hydroxybenzenesulfonamide

1041.19

1446.13

-

N-hydroxy-L-tryptophan

3723.28

4525.95

-

Niacinamide

32144.95

27961.29

7229.64

8510.79

Nicotiflorin

7659.30

6008.25

-

Nicotinamide riboside

3831.54

3710.24

-

Nicotinate

5194.66

5284.37

-

Nicotinate adenine dinucleotide phosphate

20661.21

33178.42

-

Nicotinic acid

10107.67

8415.09

-

Nigakilactone C

43301.20

29491.17

-

Nigakilactone I

324845.06

230239.51

-

Nigericin

6469.24

7773.68

-

Nimesulide

2718.02

2102.61

-

N-(indole-3-acetyl)-L-leucine

4585.95

5678.98

-

Nitenpyram

8739.20

7080.62

-

Nitrazepam

36546.45

29338.49

13985.05

19175.21

Nitrofurantoin

3828.74

2841.66

-

N-Lignoceroyl Taurine

2739.16

2657.08

-

N-Methyl-4-dimethylallyltryptophan

62392.01

49261.52

-

N-Methylisoleucine

147365.49

148814.75

192760.22

188560.12

N-Methyl-L-histidine

4198.01

2587.57

-

N-Methyltryptamine

21911.92

18174.03

-

N-Monodesmethyl-rizatriptan

8715.21

7578.58

-

N,N^-Diacetylhydrazine

1778.51

2427.77

-

N,N,Diacetyl-Lys-DAla-DAla

15256.08

26384.95

-

N,N-Dimethyl-alpha-methylcarbamoyloxyimino-alpha-(methylthio...

1625.88

1740.91

-

N,N,N^,N^-Tetramethyl-p-phenylenediamine dihydrochloride

4495.55

5695.28

-

Nocloprost

5685.74

5148.11

-

N-(octadecanoyl)-sphing-4-enine-1-phosphocholine

3459.24

3092.85

68560.09

82024.37

Nodularin

5967.19

8338.06

-

N-omega-Propyl-L-arginine

22678.30

18378.40

-

Nomilin

12838.68

11372.02

-

Nonaprenyl-4-hydroxybenzoate

3234.08

5634.42

-

Nopalinic acid

1454.08

1257.57

-

Norbelladine

24778.63

28834.74

-

Norbuprenorphine

9293.58

5704.00

-

Norbutorphanol

10590.60

5779.03

-

Nordeoxycholic acid

21506.48

17634.10

2539.50

1866.16

Nordihydroguaiaretic acid

5517.08

7952.95

-

Norethindrone acetate

40997.28

57356.09

-

Norethisterone enanthate

17714.48

17556.88

-

Normetanephrine

2376.98

2181.66

-

Normonal

4415.28

4582.87

-

N-Palmitoylsphingomyelin

5551.34

3205.54

90225.03

136192.01

N-Palmitoyl Taurine

26453.28

22669.00

-

N-pentadecanoyl-L-Homoserine lactone

7918.44

3487.07

12811.16

11251.61

N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide

6011.00

4769.51

-

N-Phenylacetylglycine

7897.22

6247.16

8116.36

9011.61

N-propan-2-ylphenothiazine-10-carboxamide

3578.26

4488.14

-

N-(p-Tolyl)-2-naphthylamine

1875.29

1487.22

-

NSC 23766 trihydrochloride

10530.82

5482.17

-

NSC250429

56492.68

58156.84

5206.15

5267.78

N-succinyl-LL-2,6-diaminopimelic acid

1619.46

3421.47

-

N-Tetradecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate

8841.46

7011.59

-

N-trans-p-Coumaroyloctopamine

2687.09

2302.48

-

Nuarimol

3652.74

7821.72

-

Nudicauline

7191.57

6507.46

-

Nummularine F

43715.14

42408.10

-

nutlin-3A

2983.54

2038.40

-

N-Valylphenylalanine

75751.49

58831.18

-

O-2545(hydrochloride)

44407.50

59684.06

1207.27

1142.94

O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyrano...

1669.43

1017.20

-

Obeticholic acid

5005.16

4315.56

-

o-Cresol

3575.73

2858.38

-

Octanoylglucuronide

8429.33

9458.57

-

Octyl gallate

2244.43

2522.34

-

O-Demethylforbexanthone

22671.21

14571.46

-

O-demethyl-N-demethyl-staurosporine

4673.10

3494.34

-

O-Desmethyl Mycophenolic Acid

8255.91

5912.88

-

Ofloxacin

11127.94

9137.42

-

O-Formylcefamandole

29346.88

28600.07

-

Olaparib

18227.79

12405.36

-

Oleaside A

4264.13

3172.73

-

(-)-Oleoside 11-methyl ester

12255.44

10670.09

-

Olmesartan

1411.85

1029.07

-

Olmutinib

19005.00

9634.19

-

Olopatadine

2425.91

1976.65

-

Olopatadine hydrochloride

27418.37

18729.56

-

Olsalazine-O-sulfate

5205.35

3496.38

50017.86

47075.58

Omarigliptin

14965.77

11957.32

-

O-methylmalonyl-L-carnitine

20878.35

13899.72

-

Ophiopogonone A

6905.44

7420.94

-

Ornidazole

19227.22

16118.36

97458.29

69850.34

Orphenadrine

23495.70

16978.89

-

ortho-Hydroxyphenylacetic acid

29152.37

21610.76

-

Osajin

6203.58

4424.18

-

Osimertinib

7674.34

6117.17

-

osmanthuside B

15639.55

9528.41

-

O-Succinyl-L-Homoserine

4116.88

2894.53

-

Ouabagenin

5223.64

3429.64

-

Oxaluric acid

1839.95

1600.48

-

Oxamflatin

28571.79

30350.63

-

Oxazepam glucuronide

4908.03

5116.04

-

Oxfenicine

20995.00

17594.98

-

Oxidized-adrenal-ferredoxin

5356.79

3382.29

-

Oxoadipic acid

76317.37

74250.46

197466.58

192156.50

Oxolinic acid

33419.45

25111.14

-

Oxyayanin A

95003.44

73326.24

-

Oxyhumulinic acid

8158.43

7053.14

-

Oxyresveratrol

43314.42

25604.47

-

Ozagrel

26439.56

21084.00

-

p-(1-Methyl-2,2-diphenylvinyl)anisole

10341.46

8776.66

-

PA(15:0/22:5(4Z,7Z,10Z,13Z,16Z))

1360.61

1085.32

-

PA(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))

2050.60

1043.84

-

PA(18:1(11Z)/18:3(6Z,9Z,12Z))

3580.64

2387.10

-

PA(18:1(9Z)/22:2(13Z,16Z))

20303.73

11686.76

-

PA(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))

2465.84

1694.37

-

PA(18:2(9Z,12Z)/22:1(13Z))

6782.22

4824.88

-

PA(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))

19283.44

10937.50

-

PA(18:3(6Z,9Z,12Z)/14:0)

3553.88

3412.65

-

PA(18:3(6Z,9Z,12Z)/20:1(11Z))

9996.05

6595.99

-

PA(18:3(6Z,9Z,12Z)/22:0)

9554.69

6779.20

-

PA(18:3(6Z,9Z,12Z)/24:1(15Z))

21970.01

24220.44

-

PA(18:3(9Z,12Z,15Z)/14:0)

44998.34

24348.46

-

PA(18:3(9Z,12Z,15Z)/16:0)

19914.55

14620.80

-

PA(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))

37015.51

25392.99

-

PA(18:4(6Z,9Z,12Z,15Z)/14:0)

4258.39

1990.09

-

PA(18:4(6Z,9Z,12Z,15Z)/15:0)

2183.66

928.44

-

PA(18:4(6Z,9Z,12Z,15Z)/16:0)

7026.45

7659.80

-

PA(18:4(6Z,9Z,12Z,15Z)/18:1(11Z))

7538.35

2882.08

-

PA(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))

2542.59

3663.19

-

PA(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))

19349.69

10594.81

-

PA(20:2(11Z,14Z)/18:1(11Z))

6590.68

5270.64

-

PA(20:2(11Z,14Z)/20:1(11Z))

3986.58

4425.97

-

PA(20:3(8Z,11Z,14Z)/15:0)

3298.68

2904.04

-

PA(20:3(8Z,11Z,14Z)/24:1(15Z))

10583.26

13075.34

-

PA(20:4(5Z,8Z,11Z,14Z)/15:0)

3165.26

1251.19

-

PA(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))

3253.14

1581.20

-

PA(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))

5236.54

3008.83

-

PA(22:2(13Z,16Z)/24:1(15Z))

3034.58

9338.99

-

Pamoic acid

1285.71

402.89

-

Pancratistatin

2122.41

2311.35

-

Pandamine

60443.91

53028.96

-

Panobinostat

8161.74

8746.32

-

Pantoprazole sulfide

3995.10

3152.88

-

Paptga

18316.38

22198.82

-

para-Imazamethabenz

6626.76

4971.77

-

Parthenin

22782.60

21318.06

-

Paspalinine

9404.10

5477.07

-

Patellamide C

11965.66

20893.60

-

Patellamide D

3908.75

1778.07

-

Patientoside A

38160.69

34229.30

-

Paxilline

2560.40

1805.27

6600.24

7529.54

Pazopanib hydrochloride

3514.13

1797.92

-

PC(18:0/18:2)

5580.78

5746.00

66761.41

80005.37

PC(18:0/22:5(4Z,7Z,10Z,13Z,16Z))

3945.82

1479.85

-

PC(20:0/22:5(4Z,7Z,10Z,13Z,16Z))

15772.21

13919.03

-

PC(20:2(11Z,14Z)/18:2(9Z,12Z))

177298.58

157644.14

-

PC(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))

22429.19

16391.37

-

PC(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))

5241.46

1495.59

-

PC(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))

5520.04

5832.44

-

PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))

4778.53

4645.48

-

PC(P-16:0/18:3(9Z,12Z,15Z))

1490.95

1310.10

-

p-Cresol sulfate

30429.14

25809.01

32406.22

34138.80

PE(14:1(9Z)/20:2(11Z,14Z))

14591.63

14540.24

-

PE(15:0/18:3(6Z,9Z,12Z))

3390.58

1511.19

-

PE(15:0/20:3(8Z,11Z,14Z))

19988.73

15235.58

-

PE(18:2(9Z,12Z)/22:2(13Z,16Z))

4701.99

7968.04

-

PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

11715.97

9319.18

-

PE(18:3(9Z,12Z,15Z)/24:1(15Z))

16300.12

13521.39

-

PE(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))

8184.28

10141.38

-

PE(20:4(5Z,8Z,11Z,14Z)/24:1(15Z))

3364.50

2759.62

-

PE(22:0/18:3(6Z,9Z,12Z))

57389.77

51404.92

-

PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

1957.84

1083.91

-

Pectenotoxin 2

11995.71

10007.31

-

Pectolinarigenin

11945.59

6048.13

-

Pefloxacin

2602.15

1771.57

-

Pelargonidin 3-O-rutinoside

2025.83

1545.11

-

Pelitinib

11345.39

8715.21

-

Pemigatinib

6451.26

3886.05

-

Pencycuron

3796.51

3223.36

-

PE-NMe(14:0/20:0)

6646.79

4931.51

-

PE-NMe(14:0/20:1(11Z))

3178.50

2779.66

-

PE-NMe(14:0/20:4(8Z,11Z,14Z,17Z))

5828.93

4902.87

-

PE-NMe(14:0/24:0)

3571.54

3735.72

-

PE-NMe(14:1(9Z)/18:1(11Z))

10853.25

11636.54

-

PE-NMe(14:1(9Z)/20:3(5Z,8Z,11Z))

12873.75

11170.68

-

PE-NMe(15:0/15:0)

30818.90

13302.16

-

PE-NMe(15:0/18:3(6Z,9Z,12Z))

3762.23

3432.87

-

PE-NMe(15:0/22:1(13Z))

12434.40

13240.25

-

PE-NMe(16:0/14:1(9Z))

9407.95

8034.88

-

PE-NMe(16:0/24:0)

33535.83

26078.81

-

PE-NMe(16:1(9Z)/22:2(13Z,16Z))

11280.57

7948.33

-

PE-NMe(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))

10163.77

9288.36

-

PE-NMe(18:0/22:4(7Z,10Z,13Z,16Z))

2833.81

2512.62

-

PE-NMe(18:0/22:5(4Z,7Z,10Z,13Z,16Z))

4300.43

4863.79

-

PE-NMe(18:1(11Z)/20:3(5Z,8Z,11Z))

14352.01

14740.23

50110.71

42222.84

PE-NMe(18:1(11Z)/22:2(13Z,16Z))

9161.80

5355.47

-

PE-NMe(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))

14254.94

10103.33

-

PE-NMe(18:1(11Z)/24:1(15Z))

2803.82

2734.76

-

PE-NMe(18:2(9Z,12Z)/24:1(15Z))

4130.95

4326.37

-

PE-NMe(18:3(6Z,9Z,12Z)/24:1(15Z))

2432.91

3794.96

-

PE-NMe(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))

15473.35

12142.45

-

PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))

136945.44

116017.65

-

PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

5147.91

5346.43

-

PE-NMe(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))

10614.38

8156.54

-

PE-NMe(20:2(11Z,14Z)/18:0)

34701.24

29622.82

-

PE-NMe2(14:0/22:0)

32809.76

26589.71

-

PE-NMe2(18:0/24:1(15Z))

14866.34

13861.80

-

PE-NMe(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

10509.37

8854.87

-

Perazine

6994.32

6182.52

-

Petasitenine

12863.02

12880.14

-

PG(16:0/0:0)[U]

65425.56

48747.82

-

PGF2alpha-EA

12806.89

10754.52

-

PGF2 diethyl amide

4546.49

4112.99

-

Phantomolin

2984.91

2178.24

-

Phe4Cl-HoPhe-OH

4879.08

7934.55

-

Phe4Cl-Ile-OH

88336.93

64694.39

-

Phe4Cl-Tyr-OH

63523.36

51422.64

-

Phe-Abu-OH

7480.03

5737.86

-

Phe-Ala-Arg-Asp

7636.94

8182.17

-

Phe-Asn-Ile-Glu

11883.63

12857.38

-

Phe-Asp-Glu-Phe-Leu

8483.41

7946.71

-

Phe-Asp-Phe-Gln-Asn

3365.95

3003.15

-

Phe-His-Ile-Glu

3336.07

1849.05

-

Phellamuretin

4905.43

4595.25

-

Phenol

6439.38

5037.34

-

Phenol glucuronide

5242.72

8386.59

4495.01

5767.35

Phenolphthalin

3613.29

6364.79

-

Phenothiazin-10-yl-piperidin-1-yl-methanone

2030.87

1290.14

-

Phenylacetylglutamine

6504.78

5834.70

-

Phenylalanyltyrosine

13945.07

24782.73

12307.04

13426.74

Phenylbutyrylglutamine

35224.68

22834.47

-

Phenylpropionylglycine

3102.76

2369.11

-

Phenylpyruvic acid

27752.28

21496.59

-

Phe-Pro

23506.84

54726.49

-

Phe-Thr-Lys-Lys

3207.30

3376.10

-

Phe-Trp

3186.55

3390.80

-

Phe-Tyr-Leu-Glu

18683.32

14134.43

-

Phe-Val-His-Arg

10189.09

9028.85

-

Phloretin

29073.30

21506.17

-

Phlorin

24128.93

25430.53

-

Phophatidylethanolamine(14:0/22:1)

9943.01

6359.53

-

Phorbol 13-butanoate

3938.59

2200.67

-

Phosphatidylserine

6234.14

4652.53

21042.47

18456.43

Phosphoramide mustard

11723.01

14211.47

19683.95

18540.45

Photobarbatusin I

61541.90

65413.41

-

Photrexa

2404.13

3207.20

28038.18

29532.57

P-Hydroxyatorvastatin lactone

3810.16

3795.70

-

p-Hydroxybenzyldesulphoglucosinolate

2228.38

1483.98

-

Phylloporphyrin

2959.73

4961.37

-

Physalin E acetate

4636.23

2799.05

-

Physalin I

16031.78

11333.39

-

Phytolaccagenic acid

4485.36

4933.23

-

PI-103

29017.14

36719.95

-

Piceatannol 3,4^-diglucoside

4803.12

4805.77

-

Piceatannol 4^-galloylglucoside

3455.90

2915.86

-

Picras-2-ene-1,16-dione, 11-(acetyloxy)-13-hydroxy-2,12-dime...

9365.70

5757.98

-

Picrasin E

35415.77

34152.85

-

Picrasin G

358612.06

292033.04

-

Pidotimod

24644.07

26648.43

-

Pifithrin-Beta

16660.79

12522.40

-

Pimelea factor P2

8864.96

19323.07

-

Pimelic acid

14339.89

9996.17

-

Pinacidil

8322.16

7024.20

-

Piperine

7331.53

6593.85

-

Piperlongumine

39226.47

28771.62

-

Piperochromenoic acid

24796.46

16009.47

-

Pirenzepine hydrochloride

6411.36

4036.81

-

Piretanide

62918.44

46719.22

-

Piritramide

20210.72

26873.23

-

Plakortic acid

344858.53

329711.58

-

Plumbagin

11146.84

13627.28

-

Podecdysone B

19313.48

18158.59

-

Polyethylene, oxidized

12463.15

10989.66

-

Pomiferin

11728.66

8655.46

50979.71

49003.17

Ponasterone A

31062.83

20826.71

-

Potassium Canrenoate

2651.38

1330.56

-

Pracinostat

10110.20

4766.47

-

Praecoxin A

6691.83

6608.76

-

Pravastatin

2819.84

1833.19

-

Prednisolone

65323.25

51264.37

20223.32

20365.56

Prednisone acetate

4666.29

3537.76

-

Premithramycin A3^

3098.27

3885.70

-

Prepacifennol epoxide

9925.97

10877.40

-

Prifinium bromide

10774.59

7577.64

-

Prilocaine

5389.96

3612.16

-

Pristinamycin IB

8516.20

6893.36

-

Pro-Air

72928.60

61825.13

-

Proanthocyanidin A2

13483.51

9252.99

-

Probenecid

36080.89

27861.24

-

Procyanidin B2

13053.94

8217.32

-

Progabide

1646.74

1920.45

-

Proglumide

6009.43

3179.48

-

Prolyl-cysteine

9459.69

3829.28

-

Prolylprolyllysine

16704.40

26804.27

4367.96

4642.45

Pronetalol

35628.99

28025.92

-

Propan-2-yl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-...

1659.27

2051.97

-

Propyl 1-(propylsulfinyl)propyl disulfide

59442.70

48471.67

-

Propylparaben

14468.08

15106.69

-

Propyl pyrazole triol

3187.91

3209.92

-

Prostaglandin A1 ethyl ester

18829.35

20482.04

-

prostaglandin B2

21458.39

20613.28

-

Prostaglandin D2 methyl ester

18966.25

29833.31

-

Prostaglandin D3

19012.44

4916.69

-

Prostaglandin F2beta

1896.33

3191.13

-

Protoaphin aglucone

2050.27

1291.08

-

Protriptyline

6931.58

7468.09

-

PS(14:0/20:4(5Z,8Z,11Z,14Z))

12409.58

10201.38

-

PS(16:0/20:4(5Z,8Z,11Z,14Z))

12234.64

7571.62

-

PS(18:1(9Z)/18:3(9Z,12Z,15Z))

9526.24

7687.45

-

PS(18:2(9Z,12Z)/18:2(9Z,12Z))

2443.25

2784.43

-

PS(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))

33246.83

25378.69

-

PS(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))

6722.62

7564.07

-

Pseudolaric acid B

1941.68

1793.89

-

Psilocin

12871.80

10440.96

-

Psychosine sulfate

17522.83

15470.23

-

Psychotridine

5618.37

3421.85

-

PtdIns-(3,4)-P2(1,2-dioctanoyl)

2571.56

2553.67

-

PtdIns-(4,5)-P2(1,2-dioctanoyl)

4158.90

5276.94

-

PtdIns-(4)-P1(1,2-dioctanoyl)

8443.19

7968.07

-

PtdIns-(5)-P1(1,2-dipalmitoyl)

3395.57

1844.04

-

Pterostilbene

49706.57

51712.13

1701.08

2044.98

Pubescenol

147625.82

173021.96

-

Puerarin

4646.59

6312.26

-

Puromycin

3195.07

3043.32

3420.53

3887.79

Pyrazolopyridine analog

14193.20

10741.63

-

Pyributicarb

2616.36

2401.19

-

Pyridine-3,4-dicarboxylic acid

5706.98

4150.75

-

Pyridoxine phosphate

7085.83

7307.23

-

Pyridyl-2-thioacetamide monohydrochloride

2378.55

2862.86

-

Pyriminobac [ISO]

38865.99

45932.30

-

Pyrithyldione

12487.89

13796.86

-

Pyrocatechol

4934.57

3483.25

-

Pyrochlorophyllide

18848.71

16027.28

-

PyroGlu-Met-Arg

1094.02

755.17

-

Pyroglutamic acid

11905.20

9592.36

3322.04

3199.87

Pyronine Y

23700.43

19980.80

-

Pyrrolidino PAF C-16

12426.77

12499.11

4382.27

4269.52

Pyruvic Acid

2402.10

2091.47

-

Quercitrin

2748.60

3820.98

-

Quinacrine

1775.12

1537.21

-

Quinaprilat

19856.35

16685.25

-

Quinoline-4,8-diol

18118.73

19946.84

-

Quinolinic acid

9090.60

7051.81

-

(R)-1-((((2-Aminoethoxy)hydroxyphosphinyl)oxy)methyl)ethylen...

109548.02

104275.87

-

R-1 Methanandamide Phosphate

8369.48

6006.63

-

(R)-2-benzylsuccinic acid

6891.07

5255.37

29242.38

28916.67

(R)-2-Oxo-3-methylpentanoate

73556.05

61909.95

-

(R)-3^,7-Dihydroxy-2^,4^-dimethoxyisoflavan

18498.81

11650.50

-

(R)-4-(1-Aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzam...

9389.06

8222.78

-

Radicinin

40027.07

22047.87

-

Ramiprilat

10979.90

8975.81

-

Ranolazine

15599.73

13732.77

-

Raucaffricine

4786.22

4309.80

-

RCS-4 3-Methoxy isomer

47599.87

40730.87

-

RCS-4 N-(5-carboxypentyl) metabolite

5733.57

4217.49

-

Rebaudioside A

4269.42

2338.19

-

Reduced haloperidol

69362.91

57980.34

-

Red Violet 2RN Acid Anthraquinone

37160.41

27719.62

-

Regadenoson

103317.73

78494.70

-

Rescinnamine

8831.32

5445.30

-

Reserpic acid

5195.90

6651.22

-

Reserpine

4812.00

2237.56

-

Resolvin E1

23642.76

20278.38

-

Resveratrol

8733.36

6681.89

2961.81

2518.79

Resveratrol 4^-O-beta-D-(2^^-O-galloyl)-glucopyranoside

2206.46

1866.03

-

Retreversine

5186.44

4336.71

-

Rhamnose

17564.62

15843.37

-

Rhapontigenin

37352.16

35253.16

-

Rhodamine 6G

2479.90

1797.94

-

Rhodojaponin III 9,11-diacetate

3081.08

2540.47

-

Rhodojaponin IV

19105.71

18323.05

-

Rhodomollein XIV

27337.68

27945.31

-

Rhodotoxine

5430.30

3431.92

-

Ribulose 5-phosphate

1400.38

1845.94

-

Ridaforolimus

7074.01

5279.31

20425.89

23428.99

Riesling acetal

19493.92

15959.81

-

Rilmenidine phosphate

1701.58

1067.56

-

RNA Polymerase III Inhibitor

1694.05

1002.83

-

Robinetin

29399.45

30621.42

-

Robustic acid

15534.16

19505.14

-

Roquefortine C

18927.30

10449.47

-

Rosavin

13740.72

11531.57

-

Rosiglitazone

3741.67

3010.53

-

Rosmarinic acid

29352.83

23914.20

228358.83

270558.94

Rosuvastatin

4061.12

2414.58

-

Rotenone

3901.95

1523.91

-

Rotenonic acid, methyl ether

2533.35

3177.49

-

Rottlerin

25398.99

29303.70

-

Roxadustat

14870.97

17430.42

6151.82

6303.68

(R-(R*,R*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxo-imida...

39784.31

40070.55

-

Rubiadin

16332.27

16982.17

-

Rubrophen

5440.54

4675.02

-

Rufloxacin

24546.88

24143.52

-

Rugosal

132678.38

184957.47

-

Rugosinone

10797.45

35159.18

-

Ruscopine

36384.42

26072.68

-

Ruxolitinib

24139.94

24970.20

3118.35

3203.82

RvD1

3865.42

8323.00

-

(R)-Warfarin

22400.89

24627.78

-

(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimeth...

51167.04

45629.31

6409.86

6746.60

(S)-2-((6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydr...

2627.08

4022.67

-

(S)-2-acetamido-6-oxopimelic acid

1424.94

1174.61

-

(S)-2-amino-6-oxopimelic acid

27439.94

25508.82

-

(S)-3-Sulfonatolactate

20573.74

25394.18

-

(S)-4-deoxygadusol

10293.46

7991.94

-

S-(5-Adenosy)-L-Homocysteine

7551.36

4060.06

-

S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine

2388.44

2561.05

9448.84

9135.26

(S)-9-Hydroxy-10-undecenoic acid

5052.07

4413.31

-

(S)-Acenocoumarol

10090.15

9311.15

-

Saikosaponin A

6226.27

2215.67

-

Salicin 6-phosphate

8428.04

8446.80

-

Salicylanilide

21388.47

-

20990.62

21295.07

Salinomycin

9755.00

6522.08

-

Salmeterol

3004.46

2536.00

-

Salvinorin A

41076.59

51374.22

-

Samaderin A

78088.07

58821.00

-

Santin

14060.41

11293.75

-

Sapanisertib

3749.12

5477.75

-

Sappanone A dimethyl ether

46343.44

34669.72

-

Sarcoaldesterol A

39497.79

42473.81

-

Sarcodon scabrosus Depsipeptide

13731.03

13560.84

-

Savinin

31266.55

52921.59

-

Schradan

57829.74

38350.95

-

Scilliroside

207909.00

189740.80

-

Sclareol

14457.62

12249.80

10594.62

8879.82

Scropolioside B

6941.70

6612.74

-

(S)-demethyl-4-deoxygadusol

5846.75

4624.32

-

Sebacic acid

511839.45

413902.87

96141.58

104833.82

Secobarbital

3274.54

1927.34

-

Secoisolariciresinol

6630.81

5515.41

-

Secoisotetrandrine

46943.64

40064.03

-

Sedoheptulose

2382.19

2590.46

43985.75

45347.72

Sekisanolin

17570.25

12483.89

-

Selumetinib

4304.20

5283.03

39532.52

37947.14

Semilicoisoflavone B

3013.44

4843.27

-

Senaetnine

32814.38

22665.54

-

Sequiterpene lactone 326

4804.33

6986.52

-

Ser-Abu-OH

35609.12

28448.27

27084.78

26818.93

Ser-Ala-Asp-Lys

5157.59

6767.61

-

Ser-Ala-Gln-Asp

12850.85

9081.65

-

Ser-Asn-Gln-Asp

14449.56

18196.38

-

Ser-Asp-Thr-Glu

30079.81

21739.79

46272.09

50471.49

Ser-Cys-Cys

1352.66

1857.10

-

Ser-Gln-Asp-Glu

3652.02

4810.21

-

Ser-Gln-Leu-Lys

58807.02

65113.07

176032.10

159495.79

Ser-Glu-Val-Lys-Met

8013.37

8748.83

-

Ser-His-Ala-Lys

14018.52

13830.75

-

Ser-His-Gln-Glu

8449.45

8265.05

-

Ser-HoPhe-OH

9956.69

16409.77

-

Ser-Ile-Arg-Arg

11537.51

7697.09

-

Ser-Leu-Asn-Arg

48434.01

36899.25

-

Ser-Leu-Lys-Glu

2414.36

1448.29

-

Ser-Leu-Val-Glu

6293.09

6269.70

-

Ser-Lys-Val-Glu

6299.15

5764.01

-

Ser-Nap-OH

5785.67

4457.67

-

Ser-Thr-Asn-Glu

1838.53

625.96

-

Ser-Val-Arg-Glu

19841.27

17288.26

-

s-Ethylisothiourea

1392.59

1225.55

-

Severin

53924.66

39475.77

-

s-Hexylglutathione

15784.08

17834.21

-

Shikimic Acid

43091.23

48877.83

-

Shikonin

17963.56

12092.74

-

Sialyl Lewis X

1972.41

1780.06

-

Sildenafil

2218.76

1762.20

-

Silenoside A

5575.57

4203.96

-

Sinapaldehyde

5294.15

4773.45

-

Sinapyl alcohol

2608.09

2603.42

-

Siphonol A

930.17

653.39

-

(S)-(+)-JWH 018 N-(4-hydroxypentyl) metabolite

5294.97

7148.60

-

(S)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrah...

4807.27

10458.59

-

sn-3-O-(Geranylgeranyl)glycerol 1-phosphate

10946.67

11545.82

-

S-nitrosoglutathione(1-)

7238.37

5538.49

-

Sodium 5-(diphenylphosphinoyl)pentanoate

39228.61

38179.92

-

Sodium cyclamate

64292.20

66435.96

-

Sodium dodecyl sulfate

21192.77

17999.57

5423.89

4742.39

Sodium pantothenate

60786.48

52311.76

102073.02

91270.33

Somniferine

2758.63

1637.13

-

Sonidegib

3448.83

6585.45

-

Sophoramine

10299.59

15242.13

-

Sorbitol

6666.86

5057.58

-

Soyasaponin I

31111.57

24766.16

-

Soyasaponin II

17985.64

13467.59

-

Sparfloxacin

18917.14

18470.46

-

Spenolimycin

1898.94

1803.20

-

S-Phenylmercapturic acid

51402.20

44058.47

-

Sphingosine 1-phosphate

11622.65

10031.77

-

Spinetoram J

4620.74

2975.59

-

Spiredine

5694.12

8161.54

-

spirolide C

1428.62

1959.69

-

Spirostane-3,6-dione

4100.25

3990.25

-

Squamosinin A

10267.03

11406.85

-

S,R-Noscapine

2625.76

2166.70

-

Stanolone benzoate

40369.18

32534.25

-

Staphidine

5773.33

5043.33

-

Stauprimide

2973.73

2494.23

-

Stealthin C

6043.65

5509.52

-

Stearaldehyde

1721.90

1471.70

-

Stearic acid

20291.51

45771.05

40531.93

44712.96

Stearidonic acid

3828.90

2120.52

-

Stearidonoyl glycine

5758.09

4540.44

-

Stemmadenine

40670.60

25748.70

-

stigmast-5-en-3beta-ol 3-0-beta-D-glucopyranoside

11411.92

9261.59

-

Stigmatellin A

2384.88

2556.71

-

Stipitatonic acid

21695.07

18739.76

-

Streptobiosamine

2695.39

2056.25

1317.41

1447.39

Strictosidine

2636.74

2766.88

-

Strophanthin

1079.87

1611.37

-

Stylisterol A

2695.84

2049.53

-

Succinic acid

12509.85

9259.37

4212.56

4002.84

Succinic acid semialdehyde

3366.31

2978.13

-

Sucralose

14307.08

16957.72

-

Sulfazecin

10810.52

16909.37

-

Sulfinpyrazone

5977.02

13955.45

-

Sulfluramid

3681.57

3153.78

-

Sulfolithocholic acid

8392.05

7747.51

-

Sultopride

1746.50

1799.78

-

Sunitinib

8758.40

7652.99

-

Synaptolepis factor K1

8322.78

5929.66

4301.15

3925.37

Tabtoxin biosynthesis intermediate 6

4010.37

2251.73

-

Talaromycin A

1310.94

789.58

-

Tamoxifen

8095.66

5298.06

8426.37

7845.13

Tamsulosin

101820.44

79421.89

1358.45

1444.34

Tandutinib

3709.05

2197.65

-

Taurocholic acid

6378.79

8298.72

15587.20

12770.79

Taurodeoxycholic acid

3043.47

2985.53

-

Taurolithocholic acid 3-sulfate

109570.60

88842.67

9208.09

7703.49

Tauroursodeoxycholic acid

18707.26

13157.25

3857.80

2999.74

TAXININE M

38653.85

31716.73

-

Tectoridin

14653.26

16190.47

1584.22

1649.57

Tentoxin

9636.67

12264.61

-

Teprenone

31170.99

28161.98

-

Terpendole G

20140.98

22134.70

18165.38

12534.09

Terpendole I

4882.34

2873.47

-

Terretonin

26638.05

19977.47

-

tert-Butyl 3-((3S,6S,12aS)-6-isobutyl-9-methoxy-1,4-dioxo-1,...

1722.03

1605.14

-

Testosterone glucuronide

9695.51

8238.67

-

Testosterone phenylpropionate

3001.64

2042.28

-

Tetracenomycin B1

5906.25

10298.06

6732.34

8326.84

Tetracenomycin F1

4936.13

3822.84

60664.17

48768.73

Tetradecanedioic acid

42663.68

38011.24

65123.35

68969.54

tetraHCA

45222.56

35050.66

-

Tetrahydrocurcumin

1891.27

1713.66

-

Tetrahydrodipicolinate

15279.76

12274.00

7624.08

8288.41

Tetrahydrogambogic acid

2886.60

2807.42

5369.98

4157.58

Tetrahydroharmine

24129.85

20561.77

-

Tetrahydropteroylglutamate

12847.82

10487.75

-

Tetrahymanol

9114.23

8755.70

-

Tetralithium 3-hydroxy-3-methyl-5-{[(phosphonatooxy)phosphin...

5052.18

4448.50

-

Tetramethylammonium chloride

2188.90

1538.57

-

tetranor-12(R)-HETE

15076.44

13005.16

-

tetranor-PGAM

81378.73

66942.00

-

tetranor-PGDM lactone

4442.10

10431.94

-

tetranor-PGFM

17446.03

20822.92

-

Tetrazepam

2006.35

1001.96

-

TG(10:0/10:0/18:0)

2256.51

2861.63

-

TG(10:0/12:0/14:0)

3036.15

4152.27

-

TG(10:0/12:0/18:0)

2532.48

5276.90

-

TG(10:0/12:0/a-13:0)[rac]

9099.51

10338.19

-

TG(10:0/12:0/i-14:0)

36194.80

28678.64

-

TG(10:0/14:0/a-17:0)[rac]

18946.35

20631.15

-

TG(10:0/18:0/15:0)

5407.85

4562.90

-

TG(10:0/18:0/16:0)

8846.25

8002.70

-

TG(14:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))

7362.77

5548.04

-

TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))

93.31

400.27

-

TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))

6543.11

7170.56

-

TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))

9760.00

8682.74

-

TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))

9796.99

8404.12

-

TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))

14702.71

15715.94

-

TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

6532.62

4955.97

-

TG(15:0/22:0/22:4(7Z,10Z,13Z,16Z))

1629.30

973.27

-

TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))

11588.04

7678.63

-

TG(18:0/22:2(13Z,16Z)/o-18:0)

1285.44

833.53

-

TG(18:3(9Z,12Z,15Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))

12475.54

9062.28

-

TG(18:3(9Z,12Z,15Z)/16:0/18:4(6Z,9Z,12Z,15Z))

13953.19

13388.96

-

TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,...

4190.52

3605.79

-

TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))

8045.12

5893.01

-

TG(20:0/8:0/13:0)

8910.62

14650.02

-

TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))

2499.25

3689.82

-

TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

2221.72

1869.37

-

TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11...

2468.91

2389.77

-

TG(22:0/20:3(5Z,8Z,11Z)/o-18:0)

1674.06

1596.40

-

Thalicarpine

13778.70

8616.38

-

Thalidasine

2814.50

1692.31

-

Thermozeaxanthin-13

1784.36

1097.36

-

Thiacloprid

12134.94

9891.12

-

Thiamin acetic acid

6692.97

7749.79

-

Thiobenzamide S,S-dioxide

87682.00

140473.72

-

Thioguanine

18787.72

18537.87

-

Thiothixene

4898.47

5832.98

-

Thr-Ala-Val-Asp

15162.60

12966.41

-

Thr-Arg-Tyr-Asp

13541.66

11809.45

-

Thr-Asn-Ala-Asp

11603.65

9942.20

-

Thr-Asp-Lys-Arg

10206.41

8376.12

-

Threitol

13390.12

11755.81

-

Thr-Glu-Leu-Lys

43165.15

44223.58

-

Thr-Ile-Gln-Asp

5690.82

4109.11

-

Thr-Ile-Lys-Glu

8702.08

11448.50

-

Thr-Lys-Ala-Glu

4944.34

2941.41

-

Thr-Lys-Asn-Glu

18479.47

8284.90

-

Thr-Lys-Pro-Arg

3030.78

4278.81

-

Thromboxane B1

3153.82

959.50

-

thromboxane B2

18246.89

15662.15

-

Thromboxane B2-d4

16438.27

16844.83

-

Thr-Phe-Gln-Asp

10119.56

33473.69

-

Thr-Ser

29613.36

24325.74

-

Thr-Tyr-Leu-Glu

6077.83

3474.27

83895.57

92043.34

Thr-Val-Asp-Lys

8508.27

5851.29

-

Thr-Val-His-Lys

33676.94

40022.88

-

Thymidine-5^-triphosphate

18177.15

15707.89

-

Thymopoietin II (32-35)

6723.62

7570.89

8366.19

8570.21

Thyrotropin alfa

27044.37

39260.52

-

Thyrotropin releasing hormone

7795.61

7240.76

-

Tigloylgomicin H

21574.10

13582.34

-

Tiliacorine

39436.50

25978.47

-

Tingenone

2340.18

2118.81

-

Tirofiban

2887.95

3295.81

-

Tocopheronic acid

4400.54

3486.93

-

Tofacitinib

105798.12

109726.26

-

Tolterodine

6634.83

3743.80

-

Tolytoxin

6837.04

5264.87

-

Tomatidine galactoside

9599.05

13934.68

-

Toremifene

25988.53

22161.73

-

Toyocamycin

3846.82

4775.63

-

Tralkoxydim

17626.92

14220.94

-

trans-3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]...

7413.02

5919.05

-

trans,Polycis-decaprenyl phosphate(2-)

11781.75

9426.05

-

trans-Sulindac

87267.76

74328.22

41970.63

41461.96

trans-Zeatin riboside triphosphate

14223.72

17964.06

-

Traumatic acid

52388.02

42693.93

11651.98

12218.06

Traumatin

129364.22

121599.39

-

TRIBUTYL PHOSPHATE

14530.02

16057.50

-

Tricin-4^-O-rutinoside-7-O-rutinoside

5493.25

3255.93

-

Tricoumaroyl spermidine

33255.12

29328.57

-

Tricrozarin A

9856.49

9023.03

-

Tricyclodehydroisohumulone

7421.00

4056.64

-

Trifluridine

7508.66

9228.84

-

Trilithium citrate tetrahydrate

2495.90

2394.72

-

Trilostane

9764.55

9851.03

-

Trimethoprim

10030.42

7034.99

-

Trinexapac-ethyl

41732.25

30665.05

-

Triptolide analog

16412.05

14144.54

-

Tris(1,3-dichloro-2-propyl)phosphate

7189.09

8127.21

17122.58

17835.33

Triton X-100

9057.67

8814.28

-

Troglitazone

5883.77

6652.21

-

Tropine

19672.06

14806.52

-

Tropisetron hydrochloride

70327.40

84519.15

-

Trp-Cys

15334.13

8106.73

-

Trp-glu

63744.85

58051.79

-

Trp-Leu-Lys-Ser-Asn

2814.95

2788.75

-

Trp(O)-Asp

2263.61

2829.97

-

Trp-Thr-Leu

4231.10

4074.59

9099.13

6287.16

Trp-val

16310.11

9797.15

-

Tryptophylasparagine

8053.91

5965.65

-

Tryptophyltryptophylarginine

2854.63

2659.32

-

Tuberoside

6720.92

4726.54

-

Tumonoic acid G

35658.14

29039.87

-

Tumonoic acid H

9634.85

11570.41

8621.30

6511.81

Tutin

20852.08

17265.06

-

TxB3

23636.40

16733.04

-

Tymazoline

3575.37

3119.87

-

Tyr-Ala

9067.39

7677.88

-

Tyr-Ala-Asn

4512.69

5084.95

-

Tyr-Arg-Lys-Asp

6250.65

5331.80

-

Tyr-Asp-Leu-Glu

7671.79

7334.36

-

Tyr-Gln-Ile-Arg

4522.94

2463.56

-

Tyr-Glu-Asn

4528.27

2666.25

-

Tyr-Glu-Val-Lys

5518.07

13533.83

8865.63

10705.75

Tyr-His-Phe-Lys

10030.52

9421.16

-

Tyr-HoPhe-OH

1936.00

1750.96

-

Tyr-Ile-Val-Glu

7393.49

6444.36

-

TyrMe-Lys-OH

7949.94

8762.13

-

TyrMe-Val-OH

11327.40

9098.99

-

Tyr-Phe

16499.61

13957.20

2102.91

3211.57

Tyrphostin A25

21376.97

23979.70

23617.53

20992.59

Tyrphostin AG 879

5642.12

3541.60

-

Tyrphostin B48

3330.83

2072.53

-

Tyrphostin B7

7980.27

7126.93

2319.93

1827.84

Tyr-Thr-Gln-Arg

18705.51

13941.01

-

Tyr-TyrMe-OH

2809.53

3244.83

-

Tyr-Val-Lys-Lys

7587.13

7941.03

-

U-46619 Glycine methyl ester

2452.54

2065.63

-

Ubiquinol 8

21374.06

19616.61

19654.98

23470.92

Undecanedioic acid

68682.64

56323.99

-

Unii-0421aqv5W3

23151.83

21278.28

-

Unii-56S6M39J5V

8507.59

10846.94

-

Unii-8wxu5yre25

5561.88

11464.62

-

Urdamycinone B

4393.69

3519.10

-

Ureidopropionic acid

6212.29

15630.27

-

Ureidosuccinic acid

12310.29

9677.40

-

Uridine-5^-aldehyde

1343.41

2317.07

-

Uridine-5^-diphosphate

34577.54

28938.47

9608.01

9785.07

Uridine-5^-diphosphate-glucose

1220161.52

-

1170370.43

1249873.41

Uridine-5^-diphosphogalactose disodium salt

2029.73

2442.04

2978.44

3115.69

Uridine-diphosphate-n-acetylgalactosamine

4479.50

4855.81

40607.96

43089.03

Uridine triacetate

52887.10

127686.12

-

Urobilinogen

9504.42

9560.85

-

Ursodeoxycholic acid

2188455.56

2203217.78

14805.12

14260.39

Val-Ala

3995.85

2946.55

-

Val-Arg-Ala-Glu

23264.86

28482.89

-

Val-Asp-Ile-Arg

5561.77

4693.13

-

Val-Gln-Ala-Arg

104312.88

132920.12

9373.85

8541.98

Val-Gln-Ile-Asp

13174.31

8831.01

-

Val-Gln-Met-Met-Thr

3185.28

4774.72

-

Val-Glu-Phe-Asp

20362.26

56415.29

-

Val-His-Ile-Glu

17400.98

17273.89

1413.66

1934.65

Val-His-Leu-Asp

10648.98

9295.42

-

Val-Ile-Asp-Lys

34487.28

41956.99

-

Val-Ile-Leu-Asp

20156.87

15396.12

4599.87

5428.57

Val-Leu-Gln-Glu

33785.87

43616.89

-

Val-Leu-Ser-Asp

15759.52

7555.93

-

Valnemulin hydrochloride

9275.41

10147.49

-

Val-Phe-Asp-Arg

21051.29

17070.77

-

Val-Pro-Arg

13454.13

10894.22

-

Val-Pro-Leu

114120.96

64001.56

-

Val-Ser-Thr-Asp

15981.83

16008.27

-

Val-Thr-Ile-Asp

2899.94

4022.56

-

Val-Thr-Val-Leu-Val

6964.43

7540.07

-

Val-Tyr-Asp-Arg

11305.30

9109.54

-

Vandetanib

16582.64

14697.46

-

Vanillic acid

5711.40

4934.27

-

Vanillic acid-4-O-glucuronide

19896.87

15113.56

-

Vanillin 3-(L-menthoxy)propane-1,2-diol acetal

3193.29

3380.11

-

Vanylglycol

26397.12

23286.31

-

Vasicine

1423.22

1446.81

-

Vatalanib

274544.50

211168.92

-

Verapamil

20753.42

13390.38

29953.36

29121.28

Veratramine

11703.60

13035.69

1744.76

1559.39

Versicolorin A

67263.40

79210.88

5919.45

6298.73

Vialinin A

10464.15

16005.55

6471.93

6530.85

Vicenin 2

13189.16

9259.10

-

Vignatic acid A

3501.67

2506.20

-

Viniferal

2034.42

2277.72

4947.22

5031.57

Virginiamycin m1

13904.86

15723.57

-

Vitamin E Nicotinate

12955.44

14139.51

-

Vitamin K

10541.73

8515.13

-

Vomifoliol 9-[xylosyl-(1->6)-glucoside]

11911.90

5952.07

-

Vorinostat

12673.90

4163.13

-

Vulgaxanthin I

1279.96

914.32

-

Vulpinic acid

11517.25

8207.33

-

Wighteone

5271.71

7387.26

-

Win VI

1924.90

2028.96

-

Withanolide B

26946.11

32129.24

-

Wortmannin from Penicillium funiculosum

7816.32

9288.35

328109.06

408397.39

(x)-1,2-Propanediol 1-O-b-D-glucopyranoside

6455.14

4067.34

-

Xanthine

275175.50

226509.29

15053.24

14204.80

Xanthosine-5^-monophosphate

9334.37

10209.45

3307.64

4171.80

Xanthotoxol

28019.64

-

26352.64

31220.20

Xyl(b1-6)Glc(a1-6)b-Glc

3751.85

5728.81

-

Yangambin

9504.95

6292.55

-

Yohimbic Acid

3445.48

1672.92

-

Yohimbine

8687.51

5264.15

-

(Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)...

2198.93

1653.03

-

(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1R)-2,2-dim...

8918.96

9016.52

-

(Z)-(7S,8S)-Dihydroxyoctadeca-9-enoate

3761.14

2186.00

-

Zapa

1847.60

2783.43

-

Z-Cys(Bzl)-OH

3413.69

2372.17

-

Zearalenone

14600.91

13506.45

-

Zeaxanthin glucoside

15670.09

9051.84

-

(+)-Zeylenol

9103.03

9896.58

-

Zidovudine

12750.34

14660.86

-

Zileuton

8000.90

6526.04

-

Zileuton O-glucuronide

8218.16

9831.94

-

Zinniol

16727.35

18595.33

8116.27

9164.97

Zizybeoside II

3075.87

2386.81

-

Zizyphine F

4142.02

2936.95

-

(Z)-N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4^-(tri-...

2549.82

1608.54

-

Z-Phenylacetaldoxime

11703.05

9502.08

-

(Z)-Syringin

39645.41

32234.03

-

Z-Val-Ala-Asp-AMC

85323.82

76965.91

-

Zygadenine

11739.79

10682.11

-

Data for ST004389

Factors:

F1	Sample source:QC \| Factor:QC
F2	Sample source:Swine feces \| Factor:Non Heat
F3	Sample source:Swine milk \| Factor:Heat
F4	Sample source:Swine milk \| Factor:Non Heat