Data for ST003745   

(Analysis AN006150): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structureAll dataF1F2
10-Nitrolinoleate
1615006.18 1627773.72
(+/-)11(12)-DiHET
24953763.03 18255575.00
(+/-)11(12)-EET
145311505.88 95245834.68
1-(1,3-benzodioxol-5-yl)-2-[4-(9H-fluoren-9-yl)piperazino]-1...
1014378.69 907397.50
11-Deoxy prostaglandin F1α
6780031.50 6319538.05
11-Deoxy prostaglandin F1β
4393478.95 22636954.63
(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid
53506206.71 77309709.75
11(Z),14(Z),17(Z)-Eicosatrienoic acid
12233663.55 9940880.79
11β-Hydroxyandrosterone
5167185.45 5755596.27
(+/-)12(13)-DiHOME
187399149.76 258489858.85
1-(2,4-dichlorophenyl)-5-(dimethylamino)penta-1,4-dien-3-one
5104426.62 9679679.85
1,2-dihydroxyheptadec-16-yn-4-yl acetate
9036355.23 6149064.46
1-(2^-fluoro[1,1^-biphenyl]-4-yl)propan-1-one
34611833.52 22238595.93
1-(2-pyridin-2-yldiazenyl)-2-naphthol
57177750.14 80014353.32
12(S)-HETE
5440259.39 3698997.61
(12Z)-9,10,11-trihydroxyoctadec-12-enoic acid
134807109.99 47156087.66
13,14-dihydro-15-keto-tetranor Prostaglandin E2
4589062.98 3324946.33
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one
10811251.70 7799272.68
1-(3,4-dimethoxyphenyl)ethan-1-one oxime
26206322.55 17833356.03
1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehyde
7362976.82 4940148.64
1,3-Dimethyluric acid
20446058.04 18961320.43
1,3-Diphenylacetone
5307610.70 3443381.40
1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one
20537199.48 16642885.56
(±)13-HpODE
6599604.31 5425613.74
13-HPODE
3104550.02 2893682.82
1-[(3S)-3-(1,3-Benzoxazol-2-yl)-1-pyrrolidinyl]-3-methoxy-1-...
4738631.12 2903452.84
13(S)-HOTrE
51831569.30 41237636.97
1-(4-benzylpiperazino)-2-(pyridin-2-ylamino)propan-1-one
5053340.60 1860281.30
1-(4-bromophenyl)-2-phenylethan-1-one
5857327.37 4200346.64
1-(4-butylphenyl)-3-(dimethylamino)propan-1-one hydrochlorid...
5673275.20 4221853.94
1,4-Dihydro-1-Methyl-4-Oxo-3-Pyridinecarboxamide
86062.86 71663.74
1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazu...
12966212.05 19077042.60
1,4-dihydroxyheptadec-16-en-2-yl acetate
1226645.71 3127606.13
1-(4-Methoxyphenyl)-2-propanone
1717209.38 588406.64
15-Acetyldeoxynivalenol
4548776.68 3016418.49
15-Deoxy-Δ12,14-prostaglandin A1
36350132.35 31900738.62
15-Deoxy-Δ12,14-prostaglandin J2-2-glycerol ester
8298794.12 8495459.22
15-keto Prostaglandin E1
101678850.12 61612970.58
16,16-Dimethyl prostaglandin A1
4217260.13 2661767.71
16,16-Dimethyl prostaglandin A2
300456.74 1674843.42
16-Heptadecyne-1,2,4-triol
316402.75 1468207.16
16(R)-HETE
10848657.48 2759158.56
16α-Hydroxydehydroepiandrosterone
2860282.79 3898029.16
16α-Hydroxyestrone
362112.52 119620.69
17-AAG
11185526.39 13158332.36
17alpha-Hydroxyprogesterone
5591825.07 3153712.25
17beta-Trenbolone
2384112.12 1122821.05
1,7-bis(3,4-dihydroxyphenyl)heptan-3-one
3431120.09 1437755.41
1,7-bis(4-hydroxyphenyl)heptan-3-one
7938247.00 4517836.21
17(S)-HETE
20746782.69 20779254.83
17α-Ethynylestradiol
529769.35 452029.83
17α-Hydroxyprogesterone
40551579.52 107644332.12
18-β-Glycyrrhetinic acid
310287.77 151713.61
19-Nortestosterone
1456795.14 4037764.55
19(R)-HETE
4522147.88 3699365.84
19(R)-hydroxy Prostaglandin A2
481489.76 348830.24
1-adamantyl(piperidino)methanone
6844966.41 6571009.80
1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2(1H)-one
9797945.99 3490615.10
(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
8426288.11 4833956.88
(1E)-5-hydroxy-1,7-diphenylhept-1-en-3-one
1100192.41 790706.29
1-Methyladenosine
3501841.89 3358381.45
1-Methylhistidine
13627517.48 15479996.52
1-Methyluric acid
5904590.87 9653162.84
1-Naphthol
357073.26 564644.55
1-Palmitoylglycerol
1408830692.13 1414059686.27
(1R,2R)-trans-N-Boc-1,2-cyclohexanediamine
12825181.81 7137634.49
(1R,2S,3R,4R)-3-(Isobutylamino)-4-(3-pyridinyl)-1,2-cyclopen...
2028250.76 1944470.99
1-Stearoylglycerol
1660276919.25 1685199820.48
20-Carboxy-Leukotriene B4
1215417.51 801509.72
2-(14,15-Epoxyeicosatrienoyl) glycerol
4665150.07 4583038.11
2-[2-(2,6-Dimethylmorpholino)-2-oxoethoxy]phenyl N,N-dimethy...
3497614.64 2837935.32
2-{[(2-{[(2-hydroxyphenyl)methylene]amino}ethyl)imino]methyl...
50000302.79 57140044.71
2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamide
5781356.03 3784728.55
2-(2-acetyl-3,5-dihydroxyphenyl)acetic acid
2605521.83 3286901.37
2-[(2-chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile
12988492.36 18625494.61
2-({2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}sulfanyl)acetic a...
21858297.42 2358518.12
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid
2551700.47 2589244.22
2,3-dihydroxypropyl 12-methyltridecanoate
39169922.98 59115724.55
2,3-Dinor-11β-prostaglandin F2α
5029799.40 4815466.76
2,3-Dinor-TXB2
5675134.20 4173486.61
2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolan-5-yl]acetic ...
18696698.07 14935356.15
2-[(3S)-1-(2-Methylbenzyl)-3-pyrrolidinyl]-1H-imidazo[4,5-b]...
12486379.88 10324590.98
2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1,3-benzoxazo...
18042915.67 13241808.47
2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole
318449869.40 196681261.02
2-(4,4-diphenyl-1-piperidinobuta-1,3-dienyl)phenyl acetate
253547.20 786328.65
2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]nicot...
337604.00 605789.92
2,4-dihydroxyheptadec-16-en-1-yl acetate
3393664.44 3296770.64
2,4-Dimethylbenzaldehyde
62722036.86 63791091.50
2-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)acrylonitrile
1746382.10 2454448.07
2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid
3452964.09 2113461.78
2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol
2346878.74 1296346.66
2-[(5-chloro-3-pyridyl)oxy]-5-(1H-pyrrol-1-yl)pyridine
3877799.79 3209202.40
(2,6-dimethylmorpholino)(1-methyl-5-nitro-1H-pyrazol-4-yl)me...
1067457.27 1498215.52
2,6-Di-tert-butyl-1,4-benzoquinone
24196624.01 27184337.01
2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetohydrazide
1601289.60 1563733.57
2-acetamido-3-(4-methoxyphenyl)propanoic acid
27930715.32 11559774.07
2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid
43879385.54 1735845.55
2-allyl-2,3-dihydro-1H-dinaphtho[2,1-c:1,2-e]azepine
3250353.65 2689036.82
2-Amino-1,3,4-octadecanetriol
263148564.99 175507534.43
2-Amino-1,3-octadecanediol
57166832.52 78040312.44
2-Aminoadipic acid
91168026.48 71206220.62
2-Aminobenzenesulfonic acid
246790.54 176085.87
2-Arachidonoyl glycerol
11723966.31 14603788.49
2-Arachidonyl Glycerol ether
8990350.27 3843089.11
2-Benzyl-5-[(3S)-1-isopropyl-3-pyrrolidinyl]-1,3,4-oxadiazol...
1572800.80 826178.40
2-[(carboxymethyl)(methyl)amino]-5-methoxybenzoic acid
17848947.36 16749183.85
(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide
32595922.15 30089377.79
(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
8444788.80 8234370.47
(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide
316548197.27 289944227.91
2-hexyl-5-(4-nonylphenyl)pyrimidine
1255457.92 1194146.82
2-Hydroxy-2-methyl-3-buten-1-yl beta-D-glucopyranoside
1341918.98 1164093.48
2-Hydroxy-3-methylbutanoic acid
368246.67 195233.95
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic a...
168234493.55 116886298.32
2-Hydroxycinnamic acid
2080374780.99 888360477.27
2-Hydroxypropyl nortadalafil
1119056.54 418128.29
2-Methoxybenzaldehyde
7246015.93 11283158.60
2-Methoxyresorcinol
6046822.74 2453542.76
2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one
5504050.70 4017162.73
2-Methylbutyroylcarnitine
789144.20 1159620.77
2-Oxindole
3869441.40 3338804.28
2-Phenylacetamide
13824535.24 8644926.88
2-Phenylbenzimidazole
2525484.31 2531442.90
2-Phenylethylamine
3090333.21 1689202.01
2-Phenylglycine
8948995.27 6130509.25
2-piperidinobenzoic acid
10376261.51 4774212.35
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic...
1261852.98 816795.08
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3...
1322236.17 948827.43
(2S)-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-...
6936120.55 2906915.27
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid
161859434.84 142958943.10
2-Thio-acetyl MAGE
1471631.87 1095833.62
3-[(2-phenyl-1H-imidazol-4-yl)methylene]-1,3-dihydro-2H-indo...
13532113.28 9493404.70
3-(2-thienylmethylidene)chroman-4-one
23666596.34 30164039.56
3-(3,4-dihydroxyphenyl)propanoic acid
32618058.43 17757246.89
3-(3,4-dimethylphenyl)-3,4-dihydro-1,2,3-benzotriazin-4-one
38768237.55 36339628.32
3-(3-morpholinopropyl)-2-(2-pyridinyl)-2,3-dihydro-4(1H)-qui...
14891966.79 13747276.00
3-(3-pyridinyl)propanoic acid
2811886.58 2478701.33
3-[4-(3,5-dichloro-4-pyridinyl)piperazino]-1,1,1-trifluoro-2...
3364478.69 2664805.49
3,4-dihydro-2H,6H-[1,3]thiazino[2,3-b]quinazolin-6-one
1146695.69 2513714.88
3,4-Dihydroxyphenylpropionic acid
844603.91 1853753.20
3,4-dimethyl-N-[4-(4-methylpiperazino)benzyl]benzamide
461189.67 881255.44
3-(4-hydroxy-3-methoxyphenyl)propanoic acid
1665698.18 1641240.02
3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-...
1918344.37 1961053.80
3,5-di(2-furylmethylidene)tetrahydro-2H-pyran-4-one
33294019.77 22237025.34
3-(5-phenyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)pyridine
248813187.81 334929500.38
3,6-diphenyl-1,2-dihydro-1,2,4,5-tetraazine
5995909.62 6012024.80
3^-Adenosine monophosphate (3^-AMP)
16373657.11 10816210.32
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol
250425709.34 163287974.54
3-benzyl-3-butylquinoline-2,4(1H,3H)-dione
1406978.72 1010696.52
3-(benzylthio)-5-[4-(tert-butyl)phenyl]-4-methyl-4H-1,2,4-tr...
1960289.11 1117502.72
3-(dimethylamino)-1-(5-methyl-3-phenyl-4-isoxazolyl)-2-prope...
3425752.93 1689068.51
3-hydroxy-2-[5-nitro-2-(1-pyrrolidinyl)benzyl]propanenitrile
1536038.05 656936.03
3-hydroxy-2-octylpentanedioic acid
19646515.68 15849804.88
3-hydroxy-3-methylpentanedioic acid
59653096.34 53384424.89
3-Hydroxylidocaine
20233893.78 8754590.54
3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhe...
1565725.38 2411455.19
3-hydroxyquinuclidine-3-carbonitrile hydrochloride
3067776.97 825276.54
3-Methoxy prostaglandin F1α
2924847.11 2207688.39
3-Methoxytyramine
6389486.26 2365506.05
3-methyl-5-oxo-5-(4-toluidino)pentanoic acid
2645235821.65 407217403.75
3-Methylindole
22397314.16 13954622.36
3-(methylsulfonyl)-2H-chromen-2-one
3211665.70 3548134.57
3-Methylxanthine
12525893.60 17412670.68
3-Nitro-L-Tyrosine
50377.02 103697.63
3-pentadecyl-4,5,6,7-tetrahydrobenzo[d]isoxazol-4-one oxime
4639848.48 2905436.54
3-phenyl-5-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,2,4-thiad...
6097100.37 6534028.79
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione
81848455.33 49520317.22
(3R)-8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-2-benzopyr...
3772340.61 3009240.80
3-Succinoylpyridine
19911886.85 17489680.29
4-(1-adamantyl)-2-methyl-1,3-thiazole
56199413.83 30657657.52
4-{2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl}benzonitrile
227126734.13 197333477.37
4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
372253487.15 314487519.18
4-(2,3-dihydro-1H-indol-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyr...
3275248.19 3069776.60
4-[3,5-di(tert-butyl)-1H-pyrazol-1-yl]benzoic acid
922922.37 729394.04
4-(4-bromo-2-thienyl)-5-(1H-pyrrol-1-yl)-2-(2-thienyl)-3-fur...
546007.00 518806.76
4-(4-chlorophenoxy)-3,5-dimethyl-1H-pyrazole
3540192.37 5335789.38
4,4^-dimethoxy[1,1^-biphenyl]-2-carbonitrile
13917702.53 10632664.13
4-(4-methoxyphenyl)-2-(methylthio)pyrimidine
2988068.85 2160209.71
4-(4-nitrophenylazo)aniline
20943193.51 11682647.50
4-[(4-phenethyl-1,4-diazepan-1-yl)sulfonyl]-2,1,3-benzoxadia...
602510.52 510492.79
4,7,8-trimethoxyfuro[2,3-b]quinoline
987618.25 1726338.63
4^,7-Dihydroxyflavanone
1893940.01 1102176.39
4-(9H-fluoren-9-yl)pyridine
264522.76 233838.89
4-Acetamidobutyric Acid
4918118.51 3530632.36
4-acetyl-4-(ethoxycarbonyl)heptanedioic acid
1306670.12 2803297.51
4-(allyloxy)-1,2-dihydroquinolin-2-one
1889824.93 683739.06
4-Aminobutyric acid
331345.89 299012.50
4-Aminoindole
929691.35 677897.41
4-(cyclohexylmethyl)-6-(2-thienyl)-2,3-dihydropyridazin-3-on...
2644161.50 4653575.30
4-Deacetylneosolaniol
755443.86 491536.11
4-(Diethylamino)benzaldehyde
1970267.87 1000991.47
4-Hexylresorcinol
1906020.06 692774.11
4-Hydroxybenzoic acid
2501452.30 2576508.64
4-Hydroxypropranolol
350437.15 237360.11
4-methoxy-9-(2-methylbut-3-en-2-yl)-7H-furo[3,2-g]chromen-7-...
7513376.45 5544785.74
4-methyl-2-oxo-8-propyl-2H-chromen-7-yl (dimethylamino)metha...
2404162.38 3035438.92
4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylic acid
4148761.17 4404385.39
4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzenesulfonami...
16992401.39 15733084.21
4-methylpyridine-3-sulfonic acid
21469859.19 36154266.98
4-Methylumbelliferone hydrate
20886655.79 18619378.03
4-morpholino-6-phenylthieno[2,3-d]pyrimidine
2856545.54 4050229.02
4-morpholinobenzoic acid
4198919.27 2845768.72
4-oxo-4-[(1-phenylethyl)amino]but-2-enoic acid
7159970.01 3973382.12
4-oxo-5-phenylpentanoic acid
491582.76 539911.84
4-oxododecanedioic acid
42713453.82 70288286.55
4-(pentyloxy)benzene-1-carbohydrazide
10443326.88 4665994.24
4-Pregnen-17alpha,20alpha-Diol-3-One
1170430.53 978489.60
4-Quinolinecarboxylic acid
2643920.11 1245253.40
[4-(tert-butyl)phenyl](1H-imidazol-2-yl)methanone
1455667.78 500655.78
5-[(10Z)-14-(3,5-dihydroxyphenyl)tetradec-10-en-1-yl]benzene...
361930429.32 248025083.61
5,5-dimethyl-3-morpholinocyclohex-2-en-1-one
1089828.58 1025304.82
(±)5(6)-DiHET
10169176.98 12755825.62
5,6-Dihydroxyindole-2-Carboxylic Acid
1746887.12 1964318.81
(+/-)5(6)-EET Ethanolamide
6040611.11 13209160.31
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one
350035934.85 364374114.40
5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
28061809.48 27689477.94
5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one
6741867.90 1476051.31
5^-Adenylic acid
3629635.61 2358953.68
5-amino-2-(dimethylamino)benzoic acid
31466976.67 22882624.75
5-amino-6-fluoro[1,2,3]triazolo[1,5-a]quinazoline-3-carbonit...
14621504.18 12804954.15
5-Carboxymeloxicam
29015399.98 30132448.34
5-chloro-2,8-dimethyl-4-[(3-nitro-2-pyridyl)oxy]quinoline
3528562.48 4227065.16
5-[(dimethylamino)methylidene]-3-phenyl-1,3-thiazolane-2,4-d...
2617532.81 3110072.40
(5E)-7-methylidene-10-oxo-4-(propan-2-yl)undec-5-enoic acid
14961291.87 12057946.70
5-ethoxy-2-[(2,3,4,5,6-pentafluorobenzyl)thio]-1H-benzo[d]im...
5468759.70 3330522.70
5-fluoro AB-PINACA N-(4-hydroxypentyl) metabolite
88865104.22 104519103.57
5-fluoro AKB48 N-(4-hydroxypentyl) metabolite
5782851.11 15767338.34
5-Hydroxyindole
2221792.74 1665656.87
5-Hydroxyindole-3-acetic acid
47671806.79 18808905.92
5-(hydroxymethyl)-4-methoxy-2,5-dihydrofuran-2-one
20159395.96 15310113.76
5-Hydroxytryptophan
2401848.42 2242966.45
5-Hydroxytryptophol
1187890.42 888735.37
5-Methoxyindole-3-Carbaldehyde
461557.56 947571.33
5-Methyl-2^-deoxycytidine
1992386.50 1345068.20
5-Methyltetrahydrofolic acid
10441078.75 3460220.27
5-morpholino-2,4(1H,3H)-pyrimidinedione
26216334.37 18951934.39
5-Phenyl-1-pentanol
9337889.01 9267389.70
5-Phenylvaleric Acid
2031108.20 2752441.02
(5S)-5-hydroxy-1,7-diphenylheptan-3-one
8270015.15 6717121.48
5^-S-Methyl-5^-thioadenosine
5764874.37 10483006.86
5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamide
8387413.76 4686505.10
5-trans prostaglandin F2β
2596876.42 3308088.07
(5Z)-3-aminonon-5-enoic acid
7182399.67 9975634.13
5α-Dihydrotestosterone glucuronide
446160.07 288869.50
5α-Pregnan-3,20-dione
990485.42 355787.73
5α-Tetrahydrocortisol
4448976.93 4401344.55
6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxy-2H-pyran...
1864226.02 950484.20
6,6-dimethyl-4-piperidino-5,6-dihydro-2H-thiine-2-thione
62963680.28 62203779.86
6,7,8-trimethoxy-2-(2-phenoxy-3-pyridyl)-4H-3,1-benzoxazin-4...
6317745.42 5992762.18
6-Acetylmorphine
2247642.43 1409414.87
6-cyclohex-3-enyl-5-nitropiperidin-2-one
7175059.89 3225302.76
6-Deoxy-D-glucose
4719068.67 6523570.18
6-Gingerol
2097149.52 1451601.23
6-Hexanoyl-D-erythro-sphingosine
679945.41 223499.80
6-Hydroxymelatonin
6968880.62 2785137.17
6-Ketoprostaglandin F1α
261997806.98 101244537.57
6-methyl-4-(morpholinomethyl)-2H-chromen-2-one
19840732.03 16474391.42
6-Methylnicotinamide
15086164.48 5701735.84
6-Pentyl-2H-pyran-2-one
14191996.01 10897202.09
6-Sialyllactose
675898.75 2081600.18
6β-Hydrocodol N-oxide
2466397.42 2686302.37
6β-Naltrexol
14977028.48 9462118.24
6β-Oxycodol N-oxide
55900877.70 32696332.65
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1...
1030972.48 919617.38
7,8-dimethyl-1,2,3,4-tetrahydrophenazine
2025739.25 791236.38
7-Aminoflunitrazepam
207893.40 667782.72
7-Hydroxy-3,4-dihydrocarbostyril
5298807.79 4873739.49
7-Ketocholesterol
78873850.37 27810769.25
7-methyl-3-nitroimidazo[1,2-a]pyridine
3232311.21 3297832.77
7α-Hydroxytestosterone
4053021.94 10416709.90
8-(1,2-dihydroxy-3-methylbut-3-en-1-yl)-7-methoxy-2H-chromen...
2392634.20 2731034.74
8(9)-EET Ethanolamide
3594490.65 6533568.55
8-Aminooctanoic acid
873538.43 928924.21
(±)8-HEPE
6568770.75 6692426.81
8-Hydroxyquinoline
10356890.92 9921667.64
8-Isoprostaglandin F1α
38390956.40 33632423.09
9-benzyl-2,3,4,9-tetrahydro-1H-carbazol-4-one
2109208.89 2821611.47
9-HOTrE
12734337.31 22211285.37
9-Oxo-10(E),12(E)-octadecadienoic acid
63732627.95 73022018.65
9-Oxo-ODE
17941480.28 24710223.28
(±)-Abscisic acid
2435885.09 1315007.04
ACar 10:1
7393835.55 10035162.28
ACar 12:2
6091905.23 7128312.06
ACar 13:0
37407343.50 22593538.78
ACar 15:0
39605197.51 52203913.50
ACar 15:1
3036323.99 4263388.95
ACar 16:1
124310206.87 84335466.17
ACar 17:1
3466927.32 2694870.20
ACar 18:0
30936272.13 16414436.12
ACar 18:1
75838116.21 46345789.30
ACar 18:2
40114440.27 36668089.93
ACar 18:3
3674172.68 5158371.49
ACar 20:1
6291949.73 2127044.64
ACar 20:3
5596011.84 4978253.82
ACar 20:4
90145803.37 67748241.74
ACar 20:5
2630935.21 1435779.36
ACar 22:5
1351352.79 1617492.19
ACar 22:6
2990521.22 1953732.15
ACar 6:1
3844788.10 9094220.74
ACar 7:0
8431790.24 11686632.95
Acetanilide
6685960.00 5493489.88
Acetophenone
52014336.82 54705274.35
Acetylcarnitine
2368191.86 2356649.16
Acetylcholine
8338386.73 4022767.05
Acetyl-L-carnitine
2023519201.82 1864673770.92
AcylGlcADG (20:5-22:6-22:5)
185107.70 357318.20
Adenine
64375218.54 47044223.47
Adenosine 5^-monophosphate
12400587.60 7013357.76
Adrenic acid
218315578.31 230083695.12
Aflatoxin G2
2067222.70 5017752.04
Aflatoxin M1
2113042.06 2565137.67
AL 8810
256361.82 358156.12
AL 8810 Methyl ester
1627099.91 1949743.80
Ala-Gln
9444747.30 4529911.72
Ala-Ile
3370152.25 3710161.11
Albendazole sulfone
1334580.87 2067109.67
Allantoin
232884296.68 239408096.59
all-cis-4,7,10,13,16-Docosapentaenoic acid
1145710370.20 2016959403.55
All-Trans-13,14-Dihydroretinol
1182762.43 313065.32
Amisulpride N-oxide
2993936.77 1919025.75
Amlexanox
1869996.95 763529.12
Anacardic acid
1310668.01 727145.94
Anandamide (AEA)
3551978.93 4936327.87
Andrographolide
25534588.08 22617974.75
Androstenedione
9067380.97 58555032.70
Androsterone
5017304.66 8810959.91
Angiotensin IV
299153.85 132232.82
ANK
5859693.56 4036215.74
Anserine
886552.04 370353.55
(+)-Aphidicolin
12071380.56 2876462.20
APK
6226330.72 8416537.20
Arachidic Acid
14167373.26 27137288.76
Arachidonic acid methyl ester
1610794.35 1193625.04
Arachidonoyl amide
5128105.53 4384063.31
Arachidonoyl ethanolamide phosphate
1311063.99 3628625.17
Artemisinin
15996827.92 18125592.55
(+)-ar-Turmerone
3784541.84 4081012.63
Ascorbyl palmitate
3403531.01 1823916.32
Asp-Phe
3393255.23 2121857.11
Astragaloside A
3053451.45 11650869.70
Atropine
5643321.12 2188543.03
Avocadyne 1-acetate
5361881.95 6361466.53
Azetidine-2-carboxylic acid
15519710.71 12721240.84
Bafilomycin B1
781768.37 2409744.08
Benzamidine
12148376.40 7810249.99
Benzo[E]pyrazolo[5,1-c][1,2,4]triazin-8-yl N,N-dimethylcarba...
5046907.16 4432253.26
Benzoylecgonine
11339974.40 10397694.69
bicyclo[2.2.2]oct-2-en-1-yl 4-methylbenzene-1-sulfonate
10233062.81 16703129.63
Bicyclo prostaglandin E2
35527405.70 23234272.94
Bilirubin
17094380.22 14818121.29
Biliverdin
511161251.83 326410947.71
Biopterin
160411825.11 124931347.83
Biotin
4188022.79 2723156.14
Bis(3,5,5-trimethylhexyl) phthalate
165107577.22 150456165.62
Bitertanol
2818708.13 1601727.54
Boc-beta-cyano-L-alanine
2870798.64 2740606.88
Boldione
1974466.38 1278748.79
Brucine
3558474.04 5154117.29
C-6 NBD ceramide
480226.15 270325.51
C-8 Ceramide-1-phosphate
2363681.36 4440969.95
Cafestol
62784983.55 29301504.19
Caffeine
1266267.35 1956293.47
cAMP
1424591.26 1762277.99
Cannabichromevarin
1372169.31 1800826.07
Cannabidiolic acid
1520498.77 2145154.45
Cantharidin
507991.26 349657.47
Capryloylglycine
9130857.61 8024505.13
Carbaprostacyclin
9134720.54 7514388.10
Carbendazim
3584147.83 1600892.88
(-)-Caryophyllene oxide
107429324.74 167788461.60
Catechin gallate
1548607.00 1632602.01
Cathinone
557267.58 280007.02
CDP
384654.22 605973.21
Cefapirin
9111379.24 14564344.96
Cefpodoxime proxetil
169955.72 373814.83
Celastrol
8091125.81 3550301.46
Cerivastatin
1263849.77 405148.34
Cer-NDS (d14:0/16:0)
8077717.52 7224025.23
Cer-NDS (d16:0/12:0)
3670767.19 3193262.87
Cer-NDS (d16:0/16:0)
44554725.36 37337261.07
Cer-NDS (d16:0/18:1)
2143650.39 2847684.39
Cer-NDS (d18:0/16:0)
46671459.64 35688003.31
Cer-NDS (d18:0/16:2)
788377.46 840950.22
Cer-NDS (d20:0/16:0)
31027332.66 21927007.08
Cer-NDS (d20:0/18:0)
17252779.66 11916265.56
Cer-NDS (d22:0/18:0)
3775728.14 3081148.73
Cer-NS (d17:1/16:0)
1940525.69 3346701.13
Cer-NS (d18:1/19:0)
1206620.65 2009659.56
Cer-NS (d18:1/21:0)
892409.95 2050328.29
Cer-NS (d22:1/16:0)
2659476.24 2029930.77
CGS 12066B
1955382.64 1468151.51
Chenodeoxycholic acid-3-beta-D-glucuronide
558231.13 232389.58
Chlortetracycline
7280912.05 17007841.08
Cholecalciferol
3776890.64 604106.46
Cholest-4-en-3-one
2931012.10 2037609.08
Choline
5573310167.26 4566200468.14
Choline Glycerophosphate
907244.38 574608.66
C.I. Basic Orange 2
154173203.18 168738612.69
Cinchophen
3783797.40 5057009.83
Ciprostene
15846009.48 40215324.45
cis-7-Hexadecenoic Acid
3276031.47 3808814.63
cis-gondoic acid
648424.28 4987699.11
Citicoline
3618238.39 7443554.04
Coenzyme Q2
47425025.59 41262524.01
Colchicine
3623489.90 3840277.93
Coproporphyrin III tetramethyl ester
518384.97 540335.21
Corticosterone
5342358.29 11913053.90
Cortisol
5045416.11 6844139.63
Cortisone
6210246.30 21963958.90
Cotinine N-oxide
1052076.76 872294.42
Coumestrol
9373169.63 8441728.20
(+/-)-CP 47,497-C7-Hydroxy metabolite
6487995.62 4579921.93
Creatine
6479037121.38 9113309196.17
Creatinine
774819957.83 239612846.55
Cryptotanshinone
5136462.52 4649758.72
Cuminaldehyde
182098586.06 141246942.97
Cyclocytidine
12501364.35 3319420.79
Cyclohexaneacetic acid
1683045.86 945973.61
Cycloheximide
18787367.92 8502146.05
cyclohexyl[4-(2-methoxyphenyl)piperidino]methanone
1140362.50 3475594.25
Cystamine
937829.69 995372.44
Cystine
22166624.49 4112101.87
Cytidine
206098639.98 129707978.59
Cytidine 5^-diphosphocholine
16277616.97 21424352.54
Cytosine
386130475.10 217434846.66
D-2-Aminoadipic acid
2985838.88 2244036.94
DAG (18:3/18:4)
7438291.28 8240492.22
D-Cysteine
7682647.54 7307324.00
Debrisoquine
280405.71 173390.14
Decanoylcarnitine
5118629.68 5070842.77
Deflazacort
254773.74 368218.64
Dehydroaripiprazole
2351954.74 3351335.70
Dehydrocholic acid
8514521.63 8150348.85
Dehydroepiandrosterone
1628122.69 3484363.80
Dehydroepiandrosterone (DHEA)
3893228.97 5567794.53
Deoxycorticosterone 21-glucoside
492728.24 1306329.79
Deoxynivalenol
4088418.25 5371108.61
Desoxycortone
13052924.84 11656128.56
Dextrorphan
258572.94 184542.61
dG-C8-IQ
6962921.49 7453914.03
D-glutamine
288841271.35 301852617.39
DGTS (2:0/7:0)
1683527.05 859315.51
Diacerein
6095091.51 9857707.58
Diacetoxyscirpenol
32953298.26 17084910.85
Dibutyl sebacate
31307711.26 25338290.89
Diflorasone
2873246.88 3579561.51
Dihomo-γ-linolenoyl ethanolamide
4836231.23 6451942.27
Dihydrokawain
1924708.88 696468.14
Diisobutyl adipate
10512730.85 9338818.67
Dioctyldimethylammonium chloride
2788915.36 2806551.30
Diosgenin
1085033.65 5819521.72
DL-2-(acetylamino)-3-phenylpropanoic acid
3853046.97 2605760.20
Dl-3-Hydroxy-kynurenine
1181867.91 990445.57
DL-Arginine
176196984.28 90139157.25
DL-Carnitine
504928437.73 312362862.27
DLK
5352807.85 3120507.27
DL-m-Tyrosine
4727792.44 3678495.94
DL-Norvaline
1414459624.71 2394234770.52
DL-Panthenol
454726.21 439303.47
DL-Tryptophan
1316995072.03 954422027.88
DL-α-Aminocaprylic acid
15916954.15 27087482.36
D-(+)-Maltose
6658671.22 7707154.23
DMK
2829213.55 2458014.98
Docosahexaenoic acid
1505566949.22 1212772750.58
Docosanamide
5726772.62 5140104.78
Docosapentaenoic acid
316283803.86 186457799.45
D-Panthenol
9337214.57 4662063.69
DPK
3998997.22 1702337.29
D-Proline
372413720.02 233023685.52
D-Sphingosine
66480467.76 55705350.27
D-Tagatose
8012317.43 10760193.43
D-(+)-Tryptophan
3244436.09 832784.82
D-Xylonic Acid
730720.92 939438.46
DY131
4889175.32 4434861.38
Ecgonine
28119125.75 16039519.52
Ecgonine methyl ester
81112912.61 27432188.38
Eicosapentaenoic acid
250868952.11 245106886.34
Eicosapentaenoic acid ethyl ester
49550466.90 32842030.56
EKK
1610848.73 4067748.34
Emetine
197074.53 1927871.74
EMH
9831489.97 9627633.67
Emodin
1036888.83 810417.61
Enalaprilat
947434.59 584292.24
Enrofloxacin
5861994.39 2317406.47
(+/-)-epi CP 47, 497
1600524.02 1445174.57
(-)-Epigallocatechin
74310.08 256968.59
Epigallocatechin
137766428.70 318375381.84
Epimedin B
880897.27 728131.43
Epinephrine
28089203.98 24760185.11
Epitestosterone
5304500.25 4341521.73
EPK
4893173.61 1257114.76
Ergocristine
469015.57 443252.55
Ergosterol
1150005.09 376143.54
Ergosterol peroxide
269450.30 422636.62
Ergothioneine
1605531.82 1162057.32
ERH
2154741.08 1377596.63
Erucic acid
7164608.32 8309362.35
(-)-Erythromycin
2033100.26 2180582.23
Erythrono-1,4-lactone
66384685.08 48709540.81
Escitalopram
5174859.98 3070093.44
Estazolam
50005037.75 43082185.32
Estradiol
2204561.04 2443575.88
Estriol
5142407.06 7270116.82
Estrone
12371546.72 15188398.83
ethyl 2-[(2-thienylcarbonyl)amino]acetate
1067877.87 1565232.05
ethyl 2-[(4-methyl-2-oxo-2H-chromen-8-yl)oxy]acetate
2435849.35 1535927.99
ethyl 4-[2-(3,4,5-trimethoxybenzylidene)hydrazino]benzoate
7738905.59 6671591.90
Ethyl chrysanthemumate
2306858.77 2526744.19
Ethyl oleate
4319870.46 4553143.57
Etiocholanolone
1621060.29 1555138.90
Fenbendazole
1699100.38 2123287.47
Fenpropimorph
4679800931.66 2343326761.47
fentanyl-d5
5861699.90 8191365.50
Feruloyl Putrescine
604839.73 228296.22
Flavanone
89812.09 39359.74
Fludrocortisone acetate
2376976.96 1025595.28
FNK
33736601.18 21670543.19
Folic acid
4610182.86 12347250.64
FRH
790322.99 695263.83
Fumonisin B2
3620718.91 1683393.80
Furanyl fentanyl 3-furancarboxamide isomer-d5
3203198.66 1935159.39
Gambogic acid
1151637.53 2322843.57
Gamma-Glu-Leu
1212146.51 677829.86
gamma-Glutamyltyrosine
70680009.62 49604917.77
gamma-Nonanolactone
1104366.50 1775523.92
Gedunin
5599497.04 4675302.26
Gelsemine
7786686.03 5202029.32
Ginsenoside Rg2
5956066.15 11250647.92
Glaucine
2419066.60 2480974.69
Glucose-6-phosphate
3139471.71 2127323.37
Glu-Glu
72763.90 119212.09
Glutathione
8224663.32 51982164.85
Glu-Thr
736493.17 424917.59
Glycerol-3-phosphate
3532463.09 6011617.86
Glycerophospho-N-palmitoyl ethanolamine
30178375.07 20169608.30
Glycocholic acid
283775030.54 302912424.12
Glycoursodeoxycholic acid
249085685.78 183016018.95
Glycyl-L-leucine
3361092.36 2068247.36
Gly-Tyr
2016106.05 1689742.23
GNK
1265700.15 632081.91
GPK
12660318.41 6252438.37
Guanidineacetic acid
189999524.86 425304052.09
Guanidinoethyl sulfonate
945474.10 465000.71
Guanine
284942293.43 342699195.21
Guvacoline
6073097.21 4238790.75
HET0016
12372094.49 7757741.28
Hexadecanamide
2272862473.28 1474597937.77
Hexamethylene bisacetamide
9363355.98 6418003.22
Hexanoylcarnitine
200777876.14 182039818.77
HexCer-NS (d18:1/16:0)
1203283.63 1986055.95
Hippuric acid
139227836.28 143496755.22
Histamine
3413841.36 2105598.51
HKK
6241067.66 6101692.97
HNK
2436006.90 7264822.35
Homoarginine
7372809.60 5178869.68
Homocysteic acid
547505.53 337788.75
HRH
2047500.38 1068481.56
Hydrocortisone acetate
16772090.19 1462000.65
Hydroxyamphetamine
3830797.15 2432874.30
Hydroxyprogesterone caproate
4490552.27 26038894.44
Hypophyllanthin
11500753.98 2119645.30
Hypotaurine
42477483.28 17058745.16
Hypoxanthine
30280483666.03 18302908484.65
Ifenprodil
73246332.66 32238884.42
Indole
125411797.37 51292267.26
Indole-3-acetic acid
1531162.80 2317352.57
Indole-3-acrylic acid
1218143276.11 890580111.04
Indole-3-butyric acid
348144217.01 338891659.74
Indole-3-lactic acid
16636895.95 8067388.12
indoline-2-carboxylic acid
46408975.25 26043924.64
Inosine
1572743150.26 2083710445.17
isoleucine
528014874.62 249021733.82
Isopropyl myristate
44424022.53 41710143.40
Isoquinoline
7655143.26 13057715.31
Isotretinoin
5577567.20 6322128.10
Isoxanthopterin
977514.70 623316.84
J147
720511.99 595480.41
Jasmonic acid
37761739.70 67663858.54
jwh-018-d11
47465040.62 35856212.84
JWH 073 N-(4-hydroxybutyl) metabolite
11383598.62 8925883.56
Kahweol
4007968.33 3969851.74
Kanosamine
2234698.07 1661035.80
Kasugamycin
888760.23 885778.86
Kinetin
3731579.90 3505424.60
KMH
3508619.77 990528.44
KPH
1356594.62 2044135.26
KQH
1865053.28 6300266.68
Kynurenic acid
1274352.33 743943.43
Lagochilin
18829877.44 18768725.06
L-Alanyl-L-proline
7293099.89 7646560.35
L-Argininosuccinate
1401907.11 681910.86
Laudanosine
6426587.36 14467080.72
L(-)-Carnitine
656295112.02 372079918.05
L-(+)-Citrulline
25404528.87 16168351.98
LDGTS 13:1
44653497.89 9712251.54
LDGTS 14:1
4430866.61 997291.53
LDGTS 15:1
6408746.13 3168760.17
LDGTS 20:0
7499166.68 11350953.85
LDGTS 22:0
11194262.84 11245244.06
LDGTS 8:0
16912276.28 13170360.93
L-Dopa
3902531.60 4368480.82
Leucine enkephalin
379616.39 405514.87
Leucocrystal violet
22997097.89 7372643.13
Leucylproline
18425198.28 9887392.76
Leukotriene C4
6241437.19 1842724.83
Leukotriene E4
3928678.72 3410795.85
Levalbuterol
7577560.17 5925626.19
L-Glutamate
839884.65 792743.95
L-Glutamic acid
624642552.60 629554214.15
L-Glutathione oxidized
3405987669.73 7278899817.88
L-Histidine
69005722.96 41370933.82
Licochalcone A
3621316.53 2908037.80
Lidocaine N-oxide
2371210.36 1018843.01
Limonin
2009326.21 1415184.82
Linoleoyl ethanolamide
6905233.47 6773232.43
Lipoic acid
4591664.96 2821661.37
L-Kynurenine
598382495.25 159947507.87
L-Leucyl-L-Alanine
6815816.19 4350842.51
LLK
558081238.26 732895747.41
L-lysine
23131124.68 11723546.46
L-(-)-Methionine
1077515858.86 436089468.40
L-Methionine sulfone
196913.34 156781.31
LPC 15:0
3555476.82 3405310.61
LPC 16:2
1466953.53 2630786.05
LPC 16:3
2151032.66 1161688.21
LPC 16:4
9943355.12 3196404.26
LPC 18:3
6266069.45 5779085.95
LPC 18:4
42192433.00 28473426.59
LPC 8:0
3558910.23 2007648.94
LPC 9:0
7956900.87 3691503.43
LPE 16:1
17257272.64 4149168.28
LPE 18:0
6920974.93 3232976.34
LPE 18:1
12950018.53 11272312.79
LPE 18:2
14873610.33 13714989.46
LPE 20:3
4293957.71 2953361.59
LPE 22:4
4366438.12 2872803.86
LPE 22:5
5795067.53 7516500.64
L-Phenylalanine
877822816.90 368568151.77
L-Pyroglutamic acid
1334332873.86 1135919767.67
LSD-d3
4765556.25 2045112.02
L-Threonic acid-1,4-lactone
366448462.44 180971961.81
L-Threonine
13285161.12 12989972.38
L-Tyrosine
1715475892.79 737667237.09
Luotonin A
19306359.30 9261844.45
Lysopa 16:0
290133.61 408541.52
Lysopc 17:0
1086906.64 1021474.03
Lysopc 18:1
5143801.59 12516305.50
Lysopc 18:3
1785073.35 1938957.21
Lysopc 20:4
432710.01 796436.47
LysoPE 18:2
2343298.71 1482950.73
Lysops 22:5
6870292.72 7092999.44
Mag (18:1)
9886127.77 12393572.47
MAG (18:3)
8847238.56 3457188.38
Maltitol
6961870.25 5929728.65
Maltotetraose
2730167.88 4531127.18
Medroxyprogesterone
1091765.44 1260608.02
Melatonin
1587675.54 1969093.66
Melicopidine
9739954.51 3187881.80
Meperidine-d5
1219357.38 6808648.56
methadone-d9
6020868.19 5150558.07
Methanandamide
23755538.20 14586081.40
Methandrostenolone
948987.54 588491.39
Methicillin
3596877.04 673447.15
Methionine sulfoxide
45780042.68 41935959.92
methyl 1-isopropyl-1H-1,2,3-benzotriazole-5-carboxylate
2771318.00 3154381.89
methyl 2-[(2-acetyl-3-oxo-1-butenyl)amino]acetate
3165665.06 1075659.06
methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
7780691.81 8660873.65
methyl 2-(acetylamino)-4,5-dimethoxybenzoate
30322950.42 26702084.26
Methyl-2-aminobenzoate
15756548.45 14229618.91
methyl 9-(2,4-dimethoxyanilino)-9-oxononanoate
3264754.79 13654946.46
Methyldopa
21131581.08 17360989.85
Methylhippuric acid
22156100.94 19676874.25
Methyl indole-3-acetate
8486322.96 12528898.62
Methyl nicotinate
780893.25 437859.97
Methyltestosterone
3569851.09 2195285.81
Methyl Violet
549096448.72 541100275.63
Michler^s ketone
19836746.56 17716399.88
Milbemycin A4 oxime
2013800.53 3309920.51
MJN110
1403999.98 1649456.41
MNK
4590886.57 1428991.70
Monensin
679519.41 1237686.53
Monolaurin
4781652.91 6786027.56
Monoolein
35594410.57 75233899.90
Mupirocin
3883785.46 2478174.83
Muramic acid
4152793.92 2344832.71
Muscone
894028467.45 669744018.28
Mycophenolic acid
4105480.63 3619079.31
N1-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
6617534.27 5047980.36
N1-(2,6-dimorpholino-3-pyridyl)-4-methylbenzamide
7734928.03 4779341.51
N1-(2-amino-2-oxoethyl)-2-(isopropylthio)acetamide
32519627.84 57538824.99
N1-(2-cyanoethyl)-N1-cyclohexyl-4-bromobenzene-1-sulfonamide
7824331.94 14746621.47
N1-(4-{[(ethylamino)carbothioyl]amino}phenyl)-2-hydroxybenza...
6423296.21 5349364.30
N1-(4-methyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-yliden)anili...
5425998.81 4890116.88
N^1-(6-methylpyridazin-3-yl)-4-chlorobenzene-1-carbohydrazid...
22941225.45 30477170.98
N1-cyclooctyl-4-hydroxy-1-piperidinecarbothioamide
9056742.95 6535643.51
N1,N^1-diphenyl-3-anilino-2-methylpropanimidamide hydrochlor...
32726625.39 26039558.94
N1-pyrazin-2-yl-4-chlorobenzamide
10052888.78 4760079.38
N1-tetrahydrofuran-2-ylmethyl-2-cyanoacetamide
3277674.59 1675750.59
N^2-(2-hydroxybenzylidene)-5-nitrofuran-2-carbohydrazide
2295176.40 2254201.34
N-[2-acetyl-5-(tert-butyl)-3-thienyl]-2-(propylsulfanyl)nico...
3354596.76 3003474.27
N2-Acetyl-L-ornithine
4766295.18 4942429.88
N-(2-Furoyl)glycine
129205665.92 135545468.23
N-(2-morpholinophenyl)-5-(phenylsulfonyl)-2-thiophenesulfona...
1423724.12 3730071.46
N4-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide
7670016.05 13382385.99
N-[4-(4-methylpiperazino)phenyl]-2-phenylacetamide
4638851.09 3346488.78
N4-Acetylcytidine
2178818.81 2153983.04
N-(4-butyl-2-methylphenyl)-N^-[4-(4-methylpiperazino)phenyl]...
22602938.92 7094279.89
N-[4-(cyanomethyl)phenyl]-N^-(2-fluorophenyl)urea
5733263.04 5343418.82
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide
14182481.79 9779407.92
N-(5-acetamidopentyl)acetamide
4690157.90 2735885.90
N-[5-(tert-butyl)-3-isoxazolyl]-N^-[2-(trifluoromethoxy)phen...
798380.91 592589.67
N-{6-[(5-chloro-3-pyridyl)oxy]-3-pyridyl}-N^-methylurea
79456221.20 100132927.48
N6-(5-methylisoxazol-3-yl)-1,3-benzothiazole-6-carboxamide
215458.29 285194.65
N6,N6,N6-Trimethyl-L-lysine
20866990.12 21799328.55
N-(9-oxodecyl)acetamide
17044021.51 17205210.15
N-Acetyl-Asp-Glu
22562601.50 7654457.05
N-acetyl-D-glucosamine
747984.61 482057.83
N-Acetyl-DL-phenylalanine
1132101.15 848855.25
N-Acetyl-DL-tryptophan
2391013.16 1079898.70
N-Acetyl-DL-valine
12755636.70 7454458.55
N-Acetyl-L-carnosine
10403148.52 4222774.14
N-Acetyl-L-leucine
75703579.53 44493509.52
N-Acetyl-L-tyrosine
2816232.93 3181050.42
N-Acetylornithine
9329980.94 7940687.32
N-Acetylprocainamide
1367487.65 1225464.92
N-Acetyl-S-allyl-L-cysteine
954795.48 784206.96
N-Acetylsphingosine
1788709.12 2210046.04
N-Acetylvaline
630770.19 756466.16
NADH
2353767.23 2709028.98
Naftopidil
1082328.81 344370.45
Natamycin
5080659.77 7258289.25
N-benzyl-N-methyl-N^-phenylurea
3899726.31 3197851.45
N-(cyclopropylmethyl)-N^-phenylurea
2049022.90 1796351.53
N-Desmethyltramadol
64619905.21 70355369.57
Ne-(1-Carboxymethyl)-L-lysine
6773146.18 4050306.05
Nelfinavir
7938988.39 4496429.06
Neoandrographolide
5055887.78 7869383.54
Neocuproine
998195.16 832587.28
Neosaxitoxin
1436189.82 1070855.32
Nervonic Acid
10604052.81 11483803.84
Nicotinamide
7750385564.54 3890811442.93
Nicotinamide adenine dinucleotide (NAD+)
7295142.93 8017166.59
Nicotinamide N-oxide
9932869.08 9823455.15
Nicotine
51403624.93 3148120.38
N-lactoyl-phenylalanine
1765350.21 468619.22
N-Lauroylsarcosine
7289925.78 5653979.65
N-Methyldioctylamine
2295963.02 2670585.24
N-Methyllysine
34844809.45 25805050.73
N-Methylparoxetine
9240283.76 4139287.72
N-morpholino-N^-[(5-nitro-3-thienyl)carbonyl]urea
72611.81 200176.29
N,N-Diethyldodecanamide
32748448.85 27811125.58
N,N-Dimethylarginine
33970582.50 19055421.45
N,N-Dimethyldecylamine N-oxide
36107202.52 36563552.24
N,N-Dimethylsphingosine
3671185.30 4620839.59
N,N^-Diphenylurea
2278852.73 1930476.99
NNH
4657889.73 4925166.87
N-Oleoyl dopamine
1337822.84 1733477.93
N-Oleoyl Glycine
2248991.79 5752194.01
Nonanoic acid
2501446.16 2317802.27
nor-6β-Oxycodol
5359970.54 3889620.37
Nor-9-carboxy-δ9-THC
37928513.33 113850621.42
Norepinephrine
1094888.66 1409950.36
Norfloxacin
1657573.39 943833.19
Normeperidine-d4
11991938.20 16076782.04
Normorphine
4403221.23 6061582.42
Nornicotine
2449341.67 1243032.41
N-Stearoyl taurine
3229111.58 1503561.88
N-Tetradecanamide
598452453.80 496686448.94
NVP-231
3466084.90 2686128.26
Obscurolide A1
372554.05 231132.53
octadec-9-ynoic acid
1608825084.47 1323825119.80
Octadecanamine
85226183.45 87361607.67
Octopamine
2378687.20 3314576.35
Octopine
3820423.42 3231720.23
Ofloxacin impurity E
115377.27 144163.10
Oleamide
118689573.52 216459691.70
Oleandomycin
3382943.61 1783706.54
Oleanolic acid
1384658.09 770564.60
Oleoyl ethanolamide
56662940.19 49854562.97
Oleoyl ethylamide
1498152.47 1621022.30
Oleoyl-L-alpha-lysophosphatidic acid
390601.07 238193.80
O,O-Diethyl thiophosphate
11626249.53 10239795.75
O-Phosphocolamine
222264098.94 244147808.35
Orientin
1781363.57 981415.41
Orlistat
418596.43 710931.18
Osajin
9558432.01 6607538.78
Otenzepad
884308.38 1226705.38
Oxethazaine
2317213.53 2302943.73
Oxohongdenafil
3892090.17 11144560.79
Oxytetracycline
3650940.01 3665114.46
P-Acetamidophenyl-b-D-glucuronide
2368340.00 2339255.47
PAF C-16
264206.62 136395.52
Paliperidone
666648.80 349832.44
Palmitoylcarnitine
236971278.34 88909335.70
Palmitoyl ethanolamide
19459870.92 13238705.36
Palmitoylethanolamide
2174718.23 2196254.55
Palmitoyl sphingomyelin
5004206.48 7124956.98
Panthenol
3496462.79 7017210.79
Pantothenic acid
732072216.51 1019165962.51
Paracetamol
21686817.49 20183976.15
para-methoxy-Butyryl fentanyl-d7
67271840.74 43653068.88
PC (10:0/10:0)
1622757.20 5450604.76
PC (10:0/16:3)
231692.01 138315.23
PC (13:0/13:0)
1201519.59 540566.17
PC (13:0/13:1)
6070886.86 2441393.07
PC (14:0e/16:2)
14599164.29 17028279.09
PC (14:0e/18:0)
831970.58 828449.55
PC (14:0e/2:0)
34675540.04 32705386.36
PC (14:0e/22:2)
419133.14 195403.61
PC (14:0e/3:0)
1257295.39 403897.80
PC (14:0e/4:0)
1705553.30 1058636.57
PC (14:0e/6:0)
239457.60 319043.25
PC (14:1/15:1)
6640761.81 1257075.80
PC (14:1e/15:1)
682466.89 1176529.40
PC (14:1e/16:2)
121971.18 157721.47
PC (14:1e/17:2)
10229364.33 11259703.40
PC (14:1e/18:1)
5926653.89 7040496.84
PC (14:1e/18:2)
963818.27 1164731.87
PC (14:1e/18:5)
696737.28 1295399.79
PC (14:1e/19:1)
9293874.89 6455504.83
PC (14:1e/2:0)
18979891.83 6013785.63
PC (14:1e/20:3)
9122886.01 8365541.63
PC (14:1e/3:0)
4438869.92 3252517.91
PC (14:1e/4:0)
31391360.48 21309358.72
PC (15:0/16:0)
1672042.37 1199059.29
PC(16:0/16:0)
4717395.16 2822440.32
PC (16:0/16:1)
275610032.94 71381215.53
PC (16:0/17:0)
374332.12 443737.98
PC (16:0/17:1)
3407785.45 3870455.73
PC (16:0/17:2)
18424738.77 20368600.74
PC (16:0e/14:0)
5945829.48 9834070.72
PC (16:0e/20:4)
2138628.90 2533392.77
PC (16:0e/22:5)
171894.21 239201.21
PC (16:1/16:1)
2617594.35 1581400.40
PC (16:1/17:2)
7070158.54 7834622.41
PC (16:1e/16:0)
72857765.51 70465096.17
PC (16:2e/10:0)
4269362.02 4912095.57
PC (16:2e/2:0)
24718508.62 24618938.46
PC (16:2e/22:5)
4831826.26 4137380.76
PC (16:2e/4:0)
1284388.82 730374.79
PC (16:2e/5:0)
1003004.58 757448.98
PC (16:2e/7:0)
2704670.37 1356787.24
PC (17:0/17:0)
72353744.86 52965402.14
PC (17:0/17:1)
134743703.00 84435401.67
PC (17:0/18:0)
5013531.98 5592960.00
PC (17:0/18:1)
2592451.90 1980065.06
PC (17:0/18:2)
14124061.25 11222131.87
PC (17:0/18:3)
42930028.55 28845720.04
PC (17:0/18:4)
11176654.22 10285472.85
PC (17:0/18:5)
2049423.90 1905535.21
PC (17:1/17:2)
108832582.76 74464756.69
PC (17:2/17:2)
18290269.65 5140921.81
PC (17:2/18:5)
3042377.91 6121725.39
PC (17:2/22:6)
284170.45 244970.81
PC (18:0/18:1)
29553942.76 13903918.06
PC (18:0/19:2)
935948.81 556593.05
PC (18:0/20:5)
336642862.11 460790546.81
PC (18:1/18:1)
2029897.04 1995547.37
PC (18:1/18:2)
583964160.00 629976104.86
PC (18:1/19:2)
2298193.57 1957383.67
PC (18:1/20:5)
79975763.42 65456872.89
PC (18:1e/16:1)
16838087.30 10023770.19
PC (18:2/18:2)
7633738.46 7542231.69
PC (18:2/18:3)
36458007.92 34600533.64
PC (18:2/19:2)
4022018.53 4508300.70
PC (18:2/20:5)
7192328.71 10211780.63
PC (18:2e/13:0)
3487430.45 4605602.81
PC (18:2e/22:5)
61482.66 125950.93
PC (18:3e/2:0)
1156448.54 1592728.32
PC (18:3e/3:0)
2765273.58 1418875.54
PC (18:4e/16:4)
235018.93 309134.91
PC (18:4e/2:0)
13792439.19 21398001.47
PC (18:4e/22:1)
3871783.21 3213120.40
PC (18:4e/5:0)
857614.82 1697472.02
PC (18:4e/6:0)
3338467.07 3356785.72
PC (18:5e/19:2)
6434604.66 8841087.86
PC (18:5e/22:6)
2901563.69 5114718.74
PC (19:0/19:1)
1205551.20 2398303.51
PC (19:0/20:5)
110707.51 144168.76
PC (19:1/19:1)
37551173.74 25852925.51
PC (19:1/20:5)
7842519.45 7785445.39
PC (19:2/18:4)
935130.40 888182.74
PC (19:2/18:5)
1373301.32 925086.64
PC (19:2/19:2)
195672765.36 195995445.69
PC (2:0/16:2)
771086.25 430863.59
PC (20:2/20:2)
3061166.92 1916310.79
PC (20:2/20:3)
31337969.19 19065427.53
PC (20:2/22:6)
3572901.04 3112932.47
PC (20:3/20:3)
7363031.63 5391761.72
PC (20:3/20:4)
37311193.21 25789799.20
PC (20:3/22:6)
3111368.51 3732243.12
PC (20:3e/13:0)
694788.91 564442.89
PC (20:4/20:4)
18189660.82 26076220.38
PC (20:4/20:5)
3489885.94 4777242.60
PC (20:4/22:6)
2381006.62 2575945.82
PC (20:4e/2:0)
1675887.62 2845070.61
PC (20:4e/20:5)
7387666.58 7288706.31
PC (20:5e/19:2)
1889789.65 3102698.21
PC (20:5e/22:4)
1563872.55 1080094.65
PC (20:5e/22:6)
1979980.49 1504550.06
PC (21:2/20:4)
1881986.19 1728139.39
PC (22:5e/9:0)
1407950.60 1362872.85
PC (22:6e/13:0)
14051226.18 12238305.96
PC (22:6e/7:0)
7183673.78 3475306.24
PC (22:6e/8:0)
1329348.57 551440.17
PC (22:6e/9:0)
971082.05 370435.99
PC (26:2/22:4)
52150796.77 21330861.56
PC (3:0/4:0)
4870451.56 3091463.49
PC (4:0/13:1)
355650.34 1943554.58
PC (4:0/16:2)
1113771.44 1298663.83
PC (4:0/16:4)
306984.63 182186.67
PC (4:0/4:0)
4354927.89 3006624.26
PC (4:0/5:0)
17330714.39 11630938.26
PC (5:0/13:1)
25577851.73 17997575.47
PC (5:0/5:0)
4167819.78 2634169.68
PC (6:0/16:3)
936513.63 386064.60
PC (7:0/13:1)
296060.87 162095.32
PC (7:0/16:4)
273456.54 144957.10
PC (7:0/8:0)
1844260.26 1547887.80
PC (8:0/8:0)
3103362.12 1380866.45
PC (9:0/9:0)
1668296.21 1511594.92
PE (14:1e/24:4)
7204160.58 4362714.98
PE (16:0e/22:6)
3879202.20 4605436.21
PE (16:1e/20:4)
3633233.75 3738709.73
PE (16:2e/18:0)
14874050.81 7585268.73
PE (16:2e/22:3)
15468155.59 17276044.28
PE (17:0/17:1)
139422149.13 161824194.72
PE (18:0/20:5)
1288581.37 1088888.68
PE (18:1/18:1)
17816725.47 4758008.87
PE (18:1/20:5)
39920222.00 42744393.56
PE (18:1e/20:4)
38809366.66 26162690.90
PE (19:2/19:2)
21386994.05 20929686.13
PE (21:2/16:3)
610211.12 1105890.60
Penicillin G
451965189.86 427299532.67
Pentadecanoic Acid
3274339.30 3045598.82
Pergolide
403122.21 166639.41
Perillartine
4322334.52 1999987.17
Phenylacetylglutamine
1354997.85 952983.25
Phenylacetylglycine
56128610.67 74917190.19
Phenylpropiolic acid
54276843.22 24618135.45
Phenylpyruvic acid
424091.74 384778.78
Phe-Phe
1559485.25 1343803.57
Phe-Pro
6713522.16 2049339.09
Phosphocholine
397992791.72 432043380.49
p-Hydroxybenzaldehyde
74769518.64 35431827.40
Picolinic acid
96874307.52 79878541.53
Pipecolic acid
3838641.77 2892524.30
p-Mentha-1,3,8-triene
26980106.86 27459950.15
Prednisolone tebutate
11889936.12 33538825.64
Pregnanetriol
20265604.14 22206826.54
Pregnenolone
9297763.91 14312705.93
Progesterone
8937835.11 12858564.78
Proline-hydroxyproline
3001473.59 1088405.74
Prolylleucine
94651985.88 38217708.18
Propionylcarnitine
59817289.43 65018524.01
Propionyl-L-carnitine
12442104.56 13380380.17
Prostaglandin A3
11109982.63 6886661.95
Prostaglandin B1
6377603.47 6250211.70
Prostaglandin E1
5108763.37 3856514.76
Prostaglandin E2-1-glyceryl ester
850675.29 708095.72
Prostaglandin F2α 1,9-lactone
2368949.84 2648482.71
Prostaglandin G2
3492331.81 3181892.56
Prostaglandin H1
2742120.34 1952199.56
Prostaglandin K2
6112393.07 6947850.30
PS (6:0/8:0)
4849101.92 3288884.45
Psilocybin
11955123.78 15689743.87
Pterostilbene
704345.31 555777.19
Pyridoxamine
6785156.66 3982151.48
Pyridoxine
21105720.22 16695254.39
Pyrithioxin
320832.69 405829.20
Pyroglutamic acid
301274913.73 319959495.23
QNK
3063256.73 1829726.22
R-1 Methanandamide phosphate
795286.18 419796.88
(R)-3-Hydroxy myristic acid
4422877.79 6342579.95
Racecadotril
6367430.33 13910693.80
Radicicol
13995138.92 8418296.76
Radicinin
115169559.38 106692670.86
Raltitrexed
5729689.62 7339519.28
Resiniferatoxin
1350019.57 1168414.57
Rhoifolin
202980.27 459987.54
Riboflavin
37599395.11 38056391.76
Ribulose-5-phosphate
25611528.25 4947297.25
Rizatriptan
1196777.45 971422.07
RLK
3722009.37 2010495.53
Robenidine
3389273.04 4455061.37
Roquefortine C
18983505.72 18229132.27
Roseoflavin
17362693.45 52539279.94
Rosuvastatin
213027.40 264191.03
Rotenone
3883171.25 3461813.88
Royal jelly acid
3361185.99 1181287.72
RPK
479203.99 217791.17
RQH
1987681.05 1030548.31
s7p
95592.94 143153.58
S-Adenosyl-L-methionine
2280393.36 1718717.75
Sakuranin
6469790.01 4956639.96
(S)-AL 8810
10403484.74 11864559.27
Salvinorin A
42104959.17 49964559.37
Salvinorin B
2449081.98 3094359.34
Scopolamine
7112389.49 9476717.50
Scutellarin
4070333.15 3977130.92
Sedanolide
1444955.20 2703234.61
Senecionine
25601541.70 20315498.24
Sepiapterin
7549058.46 7292259.67
Serotonin
2104003.66 1438120.07
Shikonin
5939386.72 3600025.34
Sildenafil N-oxide
9802030.99 2769204.82
Sinomenine
1273288.42 828915.21
Sitagliptin
243308.46 110790.02
S-Lactoylglutathione
25274301.99 22394504.89
SM (d14:0/13:1)
134964.86 91524.67
SM (d14:0/20:2)
747475.98 478683.53
SM (d14:1/14:0)
87734.12 133270.97
SM (d14:1/16:0)
804947.09 602128.74
SM (d14:1/20:1)
939203.49 490541.22
SM (d14:1/21:0)
5511825.86 4280998.53
SM (d14:3/19:0)
1535706.22 1271624.94
SM (d15:2/20:2)
690357.85 1032905.74
SM (d17:3/16:2)
2832189.27 971295.00
SM (d18:3/12:1)
68640.07 244424.49
SM (d21:2/12:1)
37031621.88 8170148.95
SM (d27:1/12:1)
123174931.25 173496126.32
S-(Methyl)Glutathione
1619381.24 4048568.30
SNH
25943233.62 8280638.95
Sodium cholate
658456.86 534960.03
Solanine
2300793.41 1483816.37
Spectinomycin
5506147.66 1601722.01
Spermidine
189242040.03 170630668.98
Spermine
9354080.24 12731096.23
Sphingosine (d18:1)
13423040.99 13709270.64
S-Sulfo-L-cysteine
266709.15 156881.11
Stearamide
916676228.66 450020471.24
Stearoyl Ethanolamide
3951354.90 4136885.86
Stevioside
6827967.99 3444785.46
Strophanthidin
18475710.04 1909220.14
Styrene
80967502.74 110450777.86
Sulforidazine
761949.34 713304.54
T-2 Toxin
1246283.93 578199.69
T-2 Triol
10534603.06 12012014.06
TAG (12:3-12:3-14:0)
5509322.43 7243993.88
TAG (16:0-20:3-20:3)
839884.62 514275.20
TAG (16:4-16:4-18:4)
441559.49 617360.27
Taurochenodeoxycholic acid
12155886.02 9294006.65
Taurocholic acid
16774942.66 4959183.60
Taurodeoxycholic Acid
2323397.30 1876852.16
Tauroursodeoxycholic acid
178597.75 120189.72
Tazobactam sodium
3445509.75 3570592.92
Tegaserod
2483288.96 2006383.94
Temazepam
10094180.41 26088970.09
Terbutaline
1577940.64 715444.82
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate
21499216.53 18131010.74
Testosterone
467577594.38 3801142921.38
Testosterone acetate
19517726.80 15815211.55
Tetrahydroaldosterone
7124617.11 11464867.82
Tetrahydrocortisone
79011491.55 60277939.35
Tetramethylpyrazine
10013076.06 4870153.57
tetranor-12(R)-HETE
6693299.43 5730247.49
Tetranor-12R-HETE
8552602.73 14589460.64
Tetranor-12(S)-HETE
4064727.81 4258253.15
Theobromine
406200442.57 452025705.85
Thiamine
11357441.27 6769483.64
Thr-Leu
3557062.54 1502357.43
Thromboxane B1
20051146.05 23791742.01
Thromoboxane B1
11209888.38 5891313.01
Thymine
25020869.40 44034508.72
TKK
14308525473.98 17042644150.19
TNK
7580610.41 4150242.71
Tomelukast
1630499.41 995619.83
TQH
140191858.75 183655072.32
trans-Anethole
4194354.16 3458669.58
trans-Clovamide
16951951.19 13572057.72
Trehalose
597372.86 820294.98
Tributyl citrate
27524926.15 9873357.82
Triptolide
2201066.37 813045.41
Tritylalcohol
8827266.44 14878721.29
Trolox
26772480.60 14200824.37
Tryptophanol
1647522.88 1067989.48
Tyramine
855496.44 601644.18
Tyrosylalanine
13722416.62 6071676.65
Tyr-Tyr-Tyr
3371640.74 2009092.04
U-44069
7525912.79 52896541.91
U-47700-d6
18629557.65 15039565.80
UNII-UGT5535REQ
1302179.46 1042912.66
UR-144 N-(2-hydroxypentyl) metabolite
6711488.19 4784229.22
UR-144 N-Heptyl analog
1446495.19 1290435.49
Uracil
1465592110.53 1103164517.30
Uridine 5^-Diphospho-N-Acetylgalactosamine
90851.11 44244.06
Uridine 5^-monophosphate
1028969.23 588060.08
Valerophenone
3042130.04 2632724.73
Valeryl fentanyl-d5
45453906.43 30416836.83
Validamycin A
9349587.93 12281894.54
Valylproline
12977168.08 10429100.41
Viramune
1287846.21 1287198.92
Vitamin A
2217893.03 1685431.28
VNH
7268549.60 4295345.00
Withanolide A
2266676.47 1207389.82
Wortmannin
1677869.36 1821544.20
Xanthurenic acid
11948780.49 11589625.54
XLR11 N-(2-fluoropentyl) isomer
2236466.17 2131179.53
XLR11 N-(4-hydroxypentyl) metabolite
3532450.78 3290442.94
XLR11 N-(4-pentenyl) analog
1571590.17 869916.53
Yangonin
10139463.46 12210304.68
YLK
8262306.26 2873702.17
YMK
238492.82 130658.44
α-Aspartylphenylalanine
8678633.97 4619514.64
α-Ergocryptine
2662596.78 2467281.11
α-Hydroxyalprazolam
345735.57 517250.47
α-Lactose
1100827.50 877306.17
α-Lapachone
6542648.25 7397803.61
α,α-Diphenylglycine
366628.51 464740.57
β-Alanine tert-butylester
1724806525.48 1682980029.89
β-Asarone
1097833.54 1950222.35
Δ2-trans-Hexadecenoic acid
895956.19 916236.11
Υ-L-Glutamyl-L-glutamic acid
63217433.56 92861485.56

Factors:

F1Group:Control
F2Group:Normal
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