Data for ST003655
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 10-Formyl-THF | 39863.62 | 38572.50 | 36355.30 | 36415.90 | |
| 10-Nitrolinoleic acid | 14194.28 | 14111.70 | 11161.70 | 11615.10 | |
| 10-Undecenal | 16375.90 | 15389.35 | 13160.50 | 12623.50 | |
| 10-Undecenyl acetate | 15898.27 | 15911.50 | 14188.70 | 13535.30 | |
| [(1-{10-butanoyl-5,7-dihydroxy-8,8-dimethyl-2-oxo-2H,6H,7H,8... | 17650.04 | 18070.05 | 14495.60 | 14410.70 | |
| 11,12-Dimethoxydihydrokawain | 104638.10 | 117774.05 | 63384.70 | 62418.80 | |
| 1,11-Undecanedicarboxylic acid | 93545.77 | 93030.35 | 250479.00 | 230930.90 | |
| 11-[(2R)-3-[2-amino-3-methyl-4-(2-methyl-1,3-thiazol-4-yl)bu... | 35165.06 | 32433.20 | 30514.30 | 30888.00 | |
| 11-Hydroxyeicosatetraenoate glyceryl ester | 237670.06 | 212425.40 | 367571.20 | 413377.30 | |
| 1-(1-Methoxy-1-methylethyl)-4-methylbenzene | 16850.76 | 10838.15 | 15117.50 | 14365.20 | |
| 11-Methylgerberinol | 21669.37 | 21406.05 | 17422.60 | 17243.50 | |
| 1-(1-Propenylthio)propyl propyl disulfide | 33512.81 | 31285.40 | 28647.00 | 29203.50 | |
| 12(13)Ep-9-KODE | 251631.78 | 287342.50 | 158498.70 | 161673.30 | |
| 1,2,3,4-Tetrahydro-2-methyl-b-carboline | 15694.25 | 15079.50 | 31797.10 | 29065.20 | |
| 1-(2,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one | 152569.65 | 148843.10 | 201151.70 | 210241.60 | |
| 1,25-Dihydroxyvitamin D3-26,23-lactone | 36395.43 | 40059.40 | 106410.50 | 89893.10 | |
| 1,26-Hexacosanediol diferulate | 18732.22 | 18640.35 | 18643.00 | 18157.40 | |
| 12alpha-Hydroxyerosone | 26507.32 | 23777.15 | 24202.40 | 25343.60 | |
| 1,2-Benzisothiazol-3(2H)-one | 8870.14 | 7760.25 | 7140.00 | 7549.30 | |
| 1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate | 36979.56 | 35739.40 | 34800.30 | 34130.00 | |
| 1,2-Diacylglycerol-LD-PI-pool | 13837.70 | 12205.95 | 11126.10 | 11139.00 | |
| 1,2-Di-O-(8-hexadecenoyl)-3-O-(6-sulfoquinovopyranosyl)glyce... | 16054.63 | 16093.55 | 12966.80 | 13056.00 | |
| 12-Hydroxynevirapine glucuronide | 37398.89 | 31857.30 | 30869.00 | 30335.80 | |
| 12-Ketodeoxycholic acid | 462210.66 | 519139.20 | 434499.90 | 437980.30 | |
| (12S,15S)-15-O-Demethyl-10,29-dideoxy-11,12-dihydro-striatin... | 82947.65 | 127493.55 | 54834.50 | 55311.50 | |
| 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside | 48202.80 | 45377.35 | 43662.50 | 43792.60 | |
| 1,3,7-Trimethyluric acid | 53532.44 | 47207.30 | 33485.10 | 33001.60 | |
| 1,3-Diisopropylbenzene | 2774.82 | 2468.85 | 2926.40 | 2985.50 | |
| 1,3-Dimethyluric acid | 399264.53 | 339338.80 | 262830.10 | 272787.50 | |
| 1,3-Dithiane | 5938.26 | 5660.75 | 5820.70 | 5876.90 | |
| 13-Heptadecyn-1-ol | 8270.69 | 8056.85 | 8107.20 | 7821.00 | |
| 13-L-Hydroperoxylinoleic acid | 1018075.06 | 1160816.50 | 1006270.60 | 1188186.00 | |
| 13-OxoODE | 199259.77 | 197979.70 | 271650.50 | 289997.20 | |
| 13S-hydroxyoctadecadienoic acid | 491432.01 | 540319.20 | 854071.60 | 946719.90 | |
| 14,16-Nonacosanedione | 11606.19 | 13994.25 | 10000.70 | 10467.50 | |
| 14,19-Dihydroaspidospermatine | 1476363.21 | 1171897.15 | 1164221.10 | 1173017.30 | |
| 1-[4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indol-4-yl]... | 32326.34 | 32099.45 | 37917.30 | 34875.80 | |
| 1,4^^-Bipiperidine-1^^-carboxylic acid | 22638.39 | 23867.70 | 24092.30 | 23681.70 | |
| 1,4-Ipomeadiol | 24691.77 | 24132.90 | 62083.70 | 57515.90 | |
| 15-Acetyl-4-deoxynivalenol | 30212.19 | 28091.70 | 30096.70 | 30605.70 | |
| 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose | 62123.10 | 71461.25 | 122840.60 | 125567.80 | |
| 15-dehydro-prostaglandin E1(1-) | 31463.11 | 30932.40 | 28178.50 | 28767.10 | |
| 15-Keto-13,14-dihydroprostaglandin A2 | 120120.08 | 96631.75 | 78320.80 | 80843.20 | |
| 1-(5-Methyl-2-thienyl)-1-propanone | 20415.04 | 19356.90 | 18726.60 | 19525.60 | |
| 15-Oxo-lipoxin A4 | 123076.94 | 118055.50 | 108423.10 | 108894.60 | |
| 15(R)-hydroperoxy-EPE | 47590.74 | 44766.30 | 61386.20 | 68517.50 | |
| 16b-Hydroxystanozolol | 248191.08 | 200781.50 | 181468.80 | 178714.70 | |
| 1-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphate | 765876.11 | 1476025.00 | 426314.00 | 416053.20 | |
| 17,23-Epoxy-29-hydroxy-27-norlanost-8-ene-3,15,24-trione | 56156.03 | 63661.45 | 59054.80 | 64824.80 | |
| 1,7-Dimethylguanosine | 33438.50 | 29190.40 | 40841.30 | 44775.90 | |
| 18alpha-Hydroxyglycyrrhetic acid | 93719.28 | 129210.90 | 74520.70 | 90602.80 | |
| 19^^-Hexanoyloxymytiloxanthin | 15343.86 | 17354.25 | 21257.90 | 21819.80 | |
| 19-Hydroxy-PGE2 | 96644.55 | 136999.35 | 111440.50 | 112594.00 | |
| 1-a,24R,25-Trihydroxyvitamin D2 | 69989.78 | 113610.40 | 44992.20 | 46556.50 | |
| 1-Acetoxy-2-hydroxy-16-heptadecen-4-one | 37660.53 | 41204.80 | 32464.50 | 33309.00 | |
| 1-Acetoxy-2-hydroxy-16-heptadecyn-4-one | 40530.65 | 45252.10 | 33702.00 | 33144.80 | |
| 1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glu... | 35138.81 | 33077.65 | 46458.50 | 44605.90 | |
| 1-Arachidonoylglycerophosphoinositol | 162655.97 | 159027.80 | 606326.10 | 624837.90 | |
| 1-(beta-D-Glucopyranosyloxy)-3-octanone | 36496.27 | 37263.95 | 59723.80 | 59478.70 | |
| 1-Cyano-2-hydroxy-3-butene | 10113.05 | 10008.25 | 7693.20 | 7852.40 | |
| 1-Hydroxy-3-methoxy-7-primeverosyloxyxanthone | 21819.29 | 19368.60 | 18429.00 | 18665.30 | |
| 1-Hydroxyepiacorone | 35050.92 | 43569.40 | 41421.00 | 38952.20 | |
| 1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione | 20932.22 | 19504.45 | 27121.90 | 27000.80 | |
| 1-Isothiocyanato-2-(methylthio)ethane | 4702.35 | 4835.10 | 3464.70 | 3420.70 | |
| 1-Isothiocyanato-3-phenylpropane | 47539.27 | 44534.15 | 31001.00 | 31021.80 | |
| 1-Isothiocyanato-4-phenylbutane | 28437.63 | 27882.80 | 37076.70 | 37299.00 | |
| 1-Isothiocyanato-6-(methylthio)hexane | 34453.46 | 33320.00 | 28731.20 | 28484.90 | |
| 1-Isothiocyanatobutane | 89858.60 | 85032.95 | 66163.70 | 66273.10 | |
| 1-(Isothiocyanatomethyl)-4-methoxybenzene | 12074.50 | 9122.50 | 7659.40 | 7758.90 | |
| 1-Linoleoylglycerophosphocholine | 20718.92 | 24071.15 | 28017.80 | 29419.00 | |
| 1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol | 78810.69 | 76057.30 | 77314.90 | 73968.30 | |
| 1-Methoxy-1H-indole-3-acetonitrile | 30603.97 | 40130.90 | 54394.90 | 48958.30 | |
| 1-Methoxyspirobrassinin | 32241.07 | 31056.60 | 27287.70 | 26129.20 | |
| 1-Methyl-1,3-cyclohexadiene | 5224.75 | 5063.95 | 4111.80 | 4045.20 | |
| 1-Methyl-3-(2-thiazolyl)-1H-indole | 23277.74 | 18096.45 | 17339.30 | 17472.00 | |
| 1-Methylpyrrolo[1,2-a]pyrazine | 49732.92 | 50364.85 | 42612.00 | 41540.00 | |
| 1-(Methylthio)propyl propyl disulfide | 16570.88 | 20769.25 | 14106.90 | 13405.50 | |
| 1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene | 19355.80 | 19041.05 | 18271.80 | 18230.50 | |
| 1-nitrosonaphthalene | 42783.71 | 43376.35 | 25876.80 | 26322.40 | |
| 1-Octanal | 3070.53 | 3200.30 | 5560.10 | 5340.10 | |
| 1-Octen-3-yl glucoside | 113238.15 | 113636.25 | 509202.30 | 440856.40 | |
| 1-Palmitoylglycerophosphoinositol | 72314.42 | 74681.70 | 95262.80 | 97584.20 | |
| 1-Pentanesulfenothioic acid | 995712.21 | 961797.00 | 653451.30 | 588070.50 | |
| 1-Phenyl-1-pentanone | 22209.24 | 16740.20 | 23122.70 | 23141.70 | |
| 1-Propenyl 1-(1-propenylthio)propyl disulfide | 65211.84 | 59869.45 | 52537.20 | 52225.10 | |
| 1-Pyrrolinium | 2142.34 | 2028.80 | 1709.60 | 1699.30 | |
| [(1S,16R)-5,7-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-(2-met... | 28883.15 | 28210.35 | 29072.20 | 29298.10 | |
| (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside | 27013.51 | 27528.10 | 27421.90 | 27063.70 | |
| 1-(sn-Glycero-3-phospho)-1D-myo-inositol | 37738.14 | 35309.80 | 61224.90 | 72975.30 | |
| 1-Stearoylglycerophosphocholine | 58076.69 | 86565.20 | 52564.10 | 52935.40 | |
| 1-Stearoylglycerophosphoglycerol | 66370.60 | 72735.10 | 63916.50 | 70633.90 | |
| (1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carbo... | 46507.58 | 41429.10 | 38670.00 | 37182.90 | |
| 20-Carboxy-leukotriene B4 | 104571.92 | 92173.05 | 189995.10 | 196246.90 | |
| (20R)-Ginsenoside Rh2 | 31375.25 | 45139.10 | 27986.50 | 29449.70 | |
| 2-(2,3,5-trihydroxy-4-methoxyphenyl)propanoic acid | 58868.62 | 55399.00 | 54182.60 | 52996.70 | |
| 2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione | 88516.48 | 84606.90 | 172572.80 | 164161.70 | |
| 2-[(2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3... | 18052.07 | 16582.55 | 14505.70 | 14373.30 | |
| 2-{2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-1λ... | 13639.57 | 10723.60 | 9818.10 | 9803.60 | |
| 22-Acetylpriverogenin B | 71337.44 | 106336.45 | 42151.20 | 41925.00 | |
| (22Alpha)-hydroxy-5alpha-campestan-3-one | 28611.38 | 31464.95 | 15008.70 | 15085.40 | |
| 2-(2-Thienyl)furan | 30248.69 | 28719.65 | 35586.70 | 34830.10 | |
| 2,3,23-Triacetylsericic acid | 32083.56 | 35909.25 | 27823.30 | 27620.90 | |
| 2-[(3-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methox... | 13310.38 | 13534.80 | 13196.90 | 13559.20 | |
| 2,3,4,7,8,9,15,22,23,28-decahydroxy-14-(hydroxymethyl)-13,25... | 16293.21 | 14987.20 | 14342.70 | 13956.70 | |
| 2-({[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)phenyl](hyd... | 9183.09 | 9020.60 | 9222.60 | 9327.60 | |
| 2-(3,4-dihydroxyphenyl)-8-[1-(2,4-dihydroxyphenyl)-2-hydroxy... | 19782.69 | 18011.80 | 22877.70 | 22581.50 | |
| 2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic a... | 88516.72 | 108497.00 | 56633.20 | 56634.70 | |
| 2,3,5-Trimethylfuran | 11876.96 | 11095.80 | 17632.10 | 16146.40 | |
| 2^^^^,3^^^^,6^^^^-Trigalloyliriflophenone 3-C-glucoside | 17997.93 | 17357.85 | 17307.20 | 17870.10 | |
| 2,3-bis(Acetyloxy)propyl icosanoate | 45202.69 | 77047.75 | 24988.00 | 25060.60 | |
| 2-(3-Carboxy-3-aminopropyl)-L-histidine | 58012.45 | 59576.10 | 50133.40 | 47690.70 | |
| 2,3-diene-Valproic acid-CoA | 17416.47 | 16509.50 | 22218.40 | 22856.10 | |
| (+)-2,3-Dihydro-3-methyl-1H-pyrrole | 771.48 | 824.40 | 826.30 | 649.00 | |
| 2,3-Dimethyl-2-cyclohexen-1-one | 11036.55 | 11554.55 | 30130.30 | 28167.30 | |
| 2,3-Dimethylmaleate | 121376.42 | 113284.50 | 95645.40 | 93387.00 | |
| 2-(3-Phenylpropyl)pyridine | 37005.01 | 13572.00 | 12444.40 | 12272.30 | |
| 24,25-Diacetylvulgaroside | 40451.04 | 45328.05 | 41045.70 | 42923.60 | |
| 24,25-Dihydroxyvitamin D | 51392.47 | 57055.35 | 32744.30 | 33236.90 | |
| [2-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-be... | 18879.44 | 18994.50 | 21267.20 | 21487.50 | |
| 2,4,6,8-Tridecatetrayne | 13148.23 | 12178.70 | 11694.00 | 11131.00 | |
| 2,4-Dihydroxyacetophenone 5-sulfate | 190345.54 | 158324.25 | 115373.80 | 115539.10 | |
| 2,4-Dimethylthiazole | 14738.14 | 11467.00 | 12216.90 | 12465.10 | |
| 24-Hydroxycholesterol | 31922.92 | 49237.75 | 27449.20 | 27113.00 | |
| 2-(4-Methyl-5-thiazolyl)ethyl butanoate | 16564.40 | 16052.95 | 17138.20 | 17994.30 | |
| 2-(4-Methyl-5-thiazolyl)ethyl decanoate | 15470.22 | 14796.90 | 14628.00 | 14777.30 | |
| 2-(4-Methyl-5-thiazolyl)ethyl propionate | 12005.04 | 11182.05 | 9505.40 | 10100.70 | |
| {2-[5,7-dihydroxy-2-(3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]... | 12744.58 | 12284.85 | 13635.60 | 13619.90 | |
| 2,5-Dihydro-4,5-dimethyl-2-(2-methylpropyl)thiazole | 5514.34 | 5538.20 | 6027.60 | 5818.40 | |
| 2,5-Dimethyl-1H-pyrrole | 2467.44 | 2338.95 | 1910.50 | 1767.60 | |
| 2,5-Dimethyl-3-propylpyrazine | 7066.92 | 6822.40 | 6289.30 | 6135.00 | |
| 25-Hydroxyvitamin D2 | 14988.81 | 21915.35 | 11037.80 | 10938.50 | |
| 2,6-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine | 17693.57 | 17571.15 | 15976.30 | 16663.30 | |
| 2,6-Dimethoxy-4-propylphenol | 92386.30 | 75692.70 | 56759.70 | 55767.20 | |
| 27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol | 122735.08 | 217893.50 | 54226.60 | 54484.40 | |
| 27-Norcholestanehexol | 52775.05 | 77646.90 | 34009.70 | 34440.00 | |
| 2-Amino-3-carboxymuconic acid semialdehyde | 7275.46 | 6633.80 | 6247.60 | 6308.10 | |
| 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({1... | 20635.06 | 19905.40 | 28435.70 | 30920.70 | |
| 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2... | 17259.92 | 13877.95 | 12624.50 | 12460.20 | |
| 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({2... | 18970.92 | 18707.25 | 19758.40 | 19154.30 | |
| 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[3... | 14271.04 | 14943.25 | 11863.40 | 11575.60 | |
| 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({5... | 8864.78 | 8631.95 | 9509.40 | 9714.10 | |
| 2-amino-4-{[2-({4-[3-(carboxymethyl)-4,6-dihydroxy-2-methoxy... | 16245.13 | 15911.65 | 13985.80 | 14915.50 | |
| 2-Aminonaphthalene | 44762.25 | 49314.45 | 59235.90 | 57325.70 | |
| 2-Benzoxazolol | 17553.62 | 15276.75 | 15201.20 | 15259.80 | |
| [2-(benzoyloxy)-5-(prop-2-en-1-yl)phenyl]oxidanesulfonic aci... | 19958.17 | 18987.30 | 21136.00 | 20563.80 | |
| 2^^-C-Methylmyricetin 3-rhamnoside 5^^-gallate | 15644.25 | 15513.95 | 14299.00 | 14587.50 | |
| 2-Decaprenyl-6-methoxyphenol | 19172.68 | 18192.05 | 16820.70 | 17049.10 | |
| 2-Decarboxybetanin | 24870.46 | 23871.80 | 22100.90 | 21930.90 | |
| 2^^-deoxycytidine 3^^-monophosphate | 40867.41 | 38388.75 | 37239.20 | 37498.70 | |
| 2^^-Deoxysepiapterin | 17834.15 | 17309.40 | 19826.60 | 20010.00 | |
| 2-Dodecylbenzenesulfonic acid | 540484.03 | 505411.40 | 476720.70 | 477901.30 | |
| (2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein | 26226.84 | 25229.30 | 20473.70 | 20783.20 | |
| {[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}sulfonic acid | 30357.80 | 28198.25 | 16838.90 | 17037.00 | |
| {[(2E)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid | 167701.25 | 99996.45 | 68338.80 | 71233.30 | |
| (2^^E,4^^Z,7^^Z,8E)-Colnelenic acid | 89379.34 | 173374.05 | 59060.50 | 59119.20 | |
| (2E)-Butenoyl-CoA | 17515.20 | 17051.75 | 16869.70 | 16972.90 | |
| 2-Ethyl-1-hexanol sulfate | 67045.87 | 57249.90 | 43591.50 | 41701.60 | |
| 2-formamido-N(1)-(5-O-phosphonato-D-ribosyl)acetamidine | 24019.44 | 20009.05 | 18995.70 | 19324.10 | |
| 2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine | 89822.15 | 86068.20 | 65967.50 | 66209.40 | |
| 2-Furanmethanethiol | 15727.11 | 14669.85 | 12585.50 | 12169.90 | |
| 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol | 38909.32 | 59409.80 | 29416.10 | 30252.30 | |
| 2-Hydroxy-22-methyltetracosanoic acid | 65517.22 | 116451.70 | 32488.20 | 32929.70 | |
| 2-Hydroxy-2,4-pentadienoic acid | 222607.40 | 208358.15 | 195488.40 | 190613.30 | |
| 2-hydroxy-3-(2,4,5-trihydroxyphenyl)propanoic acid | 19214.01 | 18856.30 | 15702.10 | 15581.40 | |
| 2-{[hydroxy(4-methoxy-1-benzofuran-5-yl)methylidene]amino}ac... | 30012.21 | 29701.80 | 21960.30 | 22103.30 | |
| (±)-2-Hydroxy-4-(methylthio)butanoic acid | 24479.45 | 22122.20 | 31544.10 | 32788.90 | |
| {2-hydroxy-5-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfon... | 35804.83 | 29819.50 | 24152.00 | 24761.90 | |
| [2-hydroxy-5-(2-hydroxy-3-methoxy-3-oxopropyl)phenyl]oxidane... | 17055.98 | 13997.30 | 22272.70 | 22067.70 | |
| {2-hydroxy-5-[7,15,23-trihydroxy-11,19-bis(4-hydroxyphenyl)-... | 17182.06 | 16534.80 | 16442.90 | 16493.60 | |
| 2-Hydroxyacetaminophen sulfate | 111283.37 | 106349.55 | 93112.60 | 90940.00 | |
| 2-Hydroxyestrone-1-S-glutathione | 17604.66 | 17728.05 | 15977.50 | 15774.80 | |
| 2-Hydroxyethanesulfonate | 39804.81 | 33716.55 | 48831.40 | 45547.80 | |
| 2-Hydroxymethylclavam | 40535.35 | 41032.35 | 35148.20 | 35065.70 | |
| 2-hydroxymexiletine | 4888.36 | 5052.25 | 5312.30 | 5203.30 | |
| 2-Indolecarboxylic acid | 67772.15 | 70063.15 | 64862.40 | 68572.20 | |
| 2-Isopropyl-3,5-dimethoxy-6-methylpyrazine | 65161.75 | 59618.50 | 52257.90 | 51343.80 | |
| 2-[(Isopropylthio)methyl]furan | 17646.97 | 15991.30 | 10962.00 | 10782.80 | |
| 2-Keto-6-acetamidocaproate | 30654.02 | 32361.10 | 35593.30 | 34046.60 | |
| [2-methoxy-4-(3,5,6,7-tetrahydroxy-8aH-chromen-2-yl)phenyl]o... | 11725.59 | 11962.40 | 10518.50 | 10464.50 | |
| 2-Methyl-1-hydroxypropyl-ThPP | 13516.02 | 12624.70 | 11685.00 | 12135.20 | |
| 2-Methyl-1-methylthio-2-butene | 77879.82 | 79367.85 | 54655.90 | 54338.80 | |
| 2-Methyl-1-propanethiol | 6174.42 | 6201.95 | 8654.50 | 8977.20 | |
| 2-Methyl-3-hydroxybutyryl-CoA | 17357.03 | 16445.55 | 15844.30 | 15774.20 | |
| 2-methyl-3-(sulfooxy)propanoic acid | 15427.39 | 12619.75 | 10875.30 | 11322.00 | |
| 2-Methyl-4-heptanone | 3609.45 | 3941.80 | 3413.30 | 3467.20 | |
| 2-Methylbutyrylglycine | 45788.00 | 44722.60 | 58228.00 | 56288.10 | |
| 2-Methylcitric acid | 47919.45 | 44902.00 | 39288.90 | 40787.90 | |
| 2-Methylerythritol | 44198.31 | 45925.80 | 35449.30 | 36760.90 | |
| 2-Methylfuran | 4093.24 | 3775.00 | 4660.60 | 3798.10 | |
| 2-Methylglutaric acid | 72484.99 | 72684.50 | 103473.20 | 100618.60 | |
| (±)-2-Methylthiazolidine | 3528.12 | 3448.30 | 2657.80 | 2576.20 | |
| 2-(Methylthiomethyl)furan | 3198.78 | 3098.70 | 2638.80 | 2761.50 | |
| 2-Methylthiophene | 23576.19 | 22585.90 | 26317.60 | 27691.50 | |
| 2-(Methylthio)pyrazine | 4391.69 | 4254.45 | 4198.60 | 4162.10 | |
| 2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin | 28439.54 | 26533.30 | 29187.00 | 29238.20 | |
| 2-Oxo-6-methylthiohexanoic acid | 60473.02 | 53246.55 | 41437.10 | 42072.70 | |
| 2-Oxoglutaramate | 17613.02 | 16442.95 | 13811.90 | 13744.70 | |
| 2-oxoglutarate(2-) | 146335.50 | 138021.35 | 153846.30 | 168188.10 | |
| 2-Oxosuccinamate | 2769.69 | 2682.55 | 3591.30 | 2668.10 | |
| 2-Pentanamido-3-phenylpropanoic acid | 11988.84 | 11720.40 | 17069.70 | 15647.40 | |
| 2-Phenylethyl beta-D-glucopyranoside | 106159.27 | 109724.90 | 104195.20 | 101148.40 | |
| 2-Piperidinone | 4882.59 | 4889.35 | 4795.00 | 4597.10 | |
| 2-Propene-1-thiol | 3513.83 | 3531.85 | 2526.60 | 2712.10 | |
| 2-Propenyl propyl disulfide | 191440.76 | 183538.15 | 223762.70 | 226690.40 | |
| 2-Quinolinecarboxylic acid | 17338.49 | 16799.85 | 17514.00 | 16938.90 | |
| 2(R)-hydroxydocosanoic acid | 55172.91 | 55904.50 | 57261.00 | 60731.00 | |
| (2S,4S)-Monatin | 58598.59 | 58216.05 | 55702.40 | 54999.80 | |
| 2-Tetradecanone | 4978.51 | 4931.65 | 4495.20 | 4527.90 | |
| 2-Thiophenecarboxaldehyde | 4769.46 | 4688.60 | 3911.30 | 3946.70 | |
| 2-Thiophenemethanethiol | 13493.58 | 12460.20 | 19013.50 | 17963.80 | |
| 2-Undecyl-4(1H)-quinolinone N-oxide | 179156.00 | 170153.85 | 184921.50 | 182764.90 | |
| (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol | 43876.09 | 44516.20 | 80198.10 | 76154.20 | |
| (2Z)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-hydroxyprop... | 90003.31 | 91386.40 | 92811.20 | 87751.70 | |
| (2Z,4^^Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspi... | 35472.09 | 32830.95 | 28721.10 | 27724.60 | |
| 3^^-(2^^^^,3^^^^,4^^^^,6^^^^-Tetrakisgalloylglucosyl)-phloro... | 17870.29 | 17243.75 | 16216.60 | 17096.00 | |
| 3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoic acid | 30357.80 | 28198.25 | 16838.90 | 17037.00 | |
| (+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone | 25629.37 | 22607.15 | 17916.30 | 18331.50 | |
| 3-(3,4,5-Trimethoxyphenyl)propanoic acid | 323147.17 | 249044.35 | 145598.10 | 144087.70 | |
| 3-(3,4-dihydroxyphenyl)-11,19-bis(4-hydroxyphenyl)-4,12,20-t... | 20511.54 | 23186.50 | 16668.10 | 16496.70 | |
| 3,3^^,5,5^^-Tetrahydroxy-6,7-methyleneoxy-4^^-methoxyflavone... | 14923.67 | 13472.25 | 14573.20 | 15168.70 | |
| 3-[3,5-dihydroxy-4-(sulfooxy)benzoyloxy]-4,5-dihydroxybenzoi... | 12846.16 | 12668.95 | 10208.20 | 10367.30 | |
| 3,3^^-Dihydroxy-4^^,5,7-trimethoxyflavan | 55215.00 | 52538.80 | 84636.40 | 90136.10 | |
| 3,3-Dimethyl-1,2-dithiolane | 319560.97 | 198139.00 | 316683.70 | 328390.40 | |
| 3,3^^-Dithiobis[4,5-dihydro-2-methylfuran] | 36608.55 | 33916.75 | 29671.60 | 28112.50 | |
| 3-(3-Hydroxyphenyl)propanoic acid | 290369.70 | 261659.90 | 231788.10 | 212123.40 | |
| 3-[3-methoxy-4-(sulfooxy)phenyl]-2-oxopropanoic acid | 15849.00 | 14240.95 | 10882.70 | 11015.50 | |
| 3-[(3-Methylbutyl)nitrosoamino]-2-butanone | 14263.30 | 15345.15 | 19913.10 | 19030.70 | |
| 3-[3-(Sulfooxy)phenyl]propanoic acid | 72624.62 | 65169.50 | 230657.70 | 100421.40 | |
| 3,3^^-Thiobispropanoic acid | 62489.56 | 48180.60 | 34120.00 | 32995.70 | |
| 3,4,5-trihydroxy-6-{2,3,4,6-tetrahydroxy-5-[3-(4-methoxyphen... | 26964.58 | 22215.85 | 21495.80 | 21458.00 | |
| 3,4,5-trihydroxy-6-(2-hydroxyethoxy)oxane-2-carboxylic acid | 22767.41 | 22405.85 | 23224.70 | 22657.10 | |
| 3,4,5-trihydroxy-6-[2-methoxy-4-(3,5,6,7-tetrahydroxy-8aH-ch... | 10920.59 | 8960.65 | 8503.40 | 8457.70 | |
| 3,4,5-trihydroxy-6-{[(2Z)-7-hydroxy-2-(phenylmethylidene)hep... | 109307.26 | 93619.80 | 87323.60 | 84117.00 | |
| 3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)propanoyl]oxy}oxane-... | 39753.19 | 35017.45 | 25568.90 | 25374.50 | |
| 3,4,5-trihydroxy-6-{[3-(4-methoxy-1-benzofuran-5-yl)-3-oxopr... | 15388.75 | 14755.55 | 15728.50 | 16485.10 | |
| 3,4,5-trihydroxy-6-{3-hydroxy-4-[5-hydroxy-3-(3-hydroxy-3-me... | 23660.15 | 23177.40 | 22888.30 | 22607.20 | |
| 3,4,5-trihydroxy-6-{4-[(1E)-3-oxo-3-[(3,4,5,6-tetrahydroxyox... | 17500.76 | 17021.20 | 14130.40 | 13996.80 | |
| 3,4,5-trihydroxy-6-(5-hydroxy-4-{2-hydroxy-3-[4-hydroxy-3-(4... | 30737.97 | 28599.55 | 24820.50 | 24583.50 | |
| 3,4,5-Trimethoxycinnamic acid | 103728.22 | 91482.20 | 85895.80 | 80857.70 | |
| 3,4,5-Trimethoxyphenyl acetate | 82272.35 | 79107.55 | 92699.30 | 87282.00 | |
| (-)-3,4,9-Trimethoxypterocarpan | 76036.92 | 76586.10 | 64740.50 | 63836.90 | |
| 3-(4-chloro-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbu... | 20162.44 | 18255.95 | 19869.10 | 19615.50 | |
| 3,4-DHPEA-EA | 25317.91 | 23957.05 | 21449.30 | 21456.00 | |
| 3,4-Diethylthiophene | 19223.12 | 17532.45 | 20768.40 | 18835.60 | |
| 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoic acid | 26945.53 | 21603.00 | 23520.70 | 25157.90 | |
| 3,4-Dihydroxymandelate | 30563.75 | 27653.10 | 31547.20 | 32366.60 | |
| 3,4-Dihydroxyphenylglycol | 43374.87 | 37759.55 | 28341.80 | 27864.90 | |
| 3,4-Dihydroxyphenylglycol O-sulfate | 36219.26 | 32540.25 | 35043.90 | 34866.70 | |
| 3-(4-hydroxyphenyl)-N-(4-oxobutyl)prop-2-enimidic acid | 19931.14 | 18861.90 | 16679.80 | 16360.10 | |
| 3-(4-Methyl-3-pentenyl)thiophene | 198863.11 | 204176.05 | 162622.30 | 160397.50 | |
| 3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanol | 3857.10 | 3746.65 | 4130.20 | 3901.80 | |
| 3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-... | 135594.42 | 135135.10 | 135751.90 | 138693.20 | |
| 3,5,7-trihydroxy-2-(3-methoxyphenyl)-1λ⁴-chromen-1-... | 45691.58 | 35636.55 | 41118.80 | 41557.10 | |
| 3,5-dihydroxy-4-(sulfooxy)benzoic acid | 17960.94 | 14584.80 | 12985.80 | 12928.50 | |
| 3,5-Dimethyl-1,2,4-trithiolane | 2036.75 | 2008.40 | 1944.30 | 1918.50 | |
| 3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-5,6,7-trihydrox... | 9702.68 | 9292.15 | 9321.60 | 9390.20 | |
| 3,7-Dimethylquercetin | 51908.02 | 62558.65 | 47724.50 | 49392.50 | |
| [3-(7-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic a... | 13387.95 | 15966.95 | 43740.50 | 37900.80 | |
| 3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide | 48783.11 | 59051.25 | 72594.00 | 78477.20 | |
| 3a,16b-Dihydroxyandrostenone | 25430.15 | 25124.15 | 42277.60 | 42541.00 | |
| (3a,5b,7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucop... | 60500.00 | 50763.55 | 38674.20 | 39760.10 | |
| 3a,7a-Dihydroxy-5b-cholestane | 108496.56 | 161306.50 | 109246.40 | 113819.70 | |
| 3a,7a-Dihydroxycoprostanic acid | 102298.47 | 164940.15 | 79037.50 | 83271.20 | |
| 3,‚Äã4-‚ÄãDimethyl-‚Äã5-‚Äãpentyl-2-‚Äãf... | 31669.74 | 31983.10 | 30415.40 | 31933.00 | |
| 3-Acetyl-2,7-naphthyridine | 10840.91 | 10345.80 | 17091.70 | 18428.50 | |
| 3-(Acetyloxy)-2-hydroxypropyl octadecanoate | 12008.00 | 13717.00 | 9400.70 | 9319.40 | |
| 3-Amino-1-methyl-5H-pyrido[4,3-b]indole | 36301.25 | 34983.20 | 23054.50 | 22608.30 | |
| 3^^-Azido-3^^-deoxy-5^^- O-beta-D-glucopyranuronosylthymidin... | 11319.25 | 11288.40 | 10256.00 | 10099.40 | |
| 3b,12a-Dihydroxy-5a-cholanoic acid | 2742219.27 | 2652781.90 | 2172264.00 | 2166845.20 | |
| 3b,15b,17a-Trihydroxy-pregnenone | 43700.16 | 52529.60 | 51318.00 | 51297.20 | |
| 3b,16a-Dihydroxyandrostenone sulfate | 95600.41 | 119050.10 | 79060.50 | 77258.30 | |
| 3b,17b-Dihydroxyetiocholane | 14181.77 | 14625.60 | 14945.80 | 14636.00 | |
| (3b,21b)-12-Oleanene-3,21,28-triol 28-[arabinosyl-(1->3)-... | 117711.89 | 109130.05 | 103846.40 | 104196.40 | |
| (3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimetho... | 263126.05 | 247126.65 | 224780.90 | 224713.20 | |
| (3beta,17alpha,23R)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-... | 203266.54 | 212307.70 | 221265.60 | 242850.00 | |
| (3beta,22E,24R)-5,8-Epidioxy-23-methylergosta-6,22-dien-3-ol | 31267.24 | 41293.60 | 24818.10 | 26193.60 | |
| (3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6... | 395106.47 | 676696.20 | 157788.40 | 158849.50 | |
| 3beta,7alpha-Dihydroxy-5-cholestenoate | 82732.12 | 112071.90 | 50741.20 | 51556.40 | |
| 3-Butenenitrile | 2122.93 | 2118.20 | 1908.00 | 1784.00 | |
| 3D,7D,11D-Phytanic acid | 340674.20 | 331042.60 | 322146.10 | 317638.70 | |
| 3-Dehydroquinate | 141719.36 | 119260.90 | 83719.50 | 83519.80 | |
| 3-Eicosyne | 10584.03 | 9117.00 | 14680.90 | 15488.20 | |
| 3-Ethylpyridine | 4451.60 | 3943.20 | 2680.50 | 2591.50 | |
| 3-Hexaprenyl-4,5-Dihydroxybenzoic acid | 17992.51 | 22345.10 | 18787.60 | 20552.00 | |
| 3-Hexaprenyl-4-hydroxybenzoic acid | 16542.24 | 20233.95 | 12966.80 | 13197.00 | |
| 3-Hydroxy-1-phenyl-1-eicosanone | 12207.56 | 13166.75 | 11368.00 | 10966.60 | |
| 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate | 20060.61 | 18683.85 | 20235.80 | 27721.60 | |
| 3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoic acid | 92475.06 | 100211.35 | 58983.80 | 58097.80 | |
| 3-Hydroxy-3-methylglutaryl-CoA | 17297.89 | 16440.40 | 14738.50 | 14790.60 | |
| 3-Hydroxyanthranilic acid | 20415.04 | 19356.90 | 18726.60 | 19525.60 | |
| 3-Hydroxydodecanedioic acid | 290543.78 | 283772.00 | 1664984.20 | 1268439.70 | |
| 3^^-Hydroxy-e,e-caroten-3-one | 16542.24 | 20233.95 | 12966.80 | 13197.00 | |
| 3^^-Hydroxyhexobarbital | 87146.63 | 73447.75 | 63546.30 | 61465.70 | |
| 3-Hydroxynonyl acetate | 27777.80 | 28567.10 | 43869.00 | 43237.40 | |
| 3-Hydroxysuberic acid | 55343.45 | 60915.85 | 118826.30 | 107623.70 | |
| 3^^-Hydroxy-T2-triol | 213390.35 | 180120.55 | 120364.10 | 117239.30 | |
| 3-hydroxyundecanoyl carnitine | 39597.81 | 34649.00 | 53866.40 | 55728.80 | |
| 3-Indolepropionic acid | 64737.17 | 80312.15 | 80828.00 | 74181.40 | |
| 3^^-Ketolactose | 35342.55 | 31164.05 | 26478.50 | 26697.30 | |
| 3-Mercaptolactate | 5938.26 | 5660.75 | 5820.70 | 5876.90 | |
| 3-Mercaptolactate-cysteine disulfide | 12024.08 | 11550.30 | 9543.70 | 10424.20 | |
| 3-Methoxy-4,5-methylenedioxybenzoic acid | 40776.42 | 36672.45 | 33183.50 | 32491.20 | |
| 3^^-Methoxy-[6]-Gingerdiol 3,5-diacetate | 193820.50 | 352588.90 | 130897.50 | 127650.90 | |
| 3-Methoxybenzyl alcohol | 43158.60 | 42189.40 | 37447.60 | 35547.00 | |
| 3-Methoxytyramine | 13361.42 | 13881.90 | 12943.60 | 11483.80 | |
| 3-Methyl-2-butene-1-thiol | 16733.30 | 16226.50 | 13208.20 | 12658.30 | |
| [(3-methyl-2-oxo-4-phenylbut-3-en-1-yl)oxy]sulfonic acid | 29737.71 | 27666.10 | 22985.80 | 22403.30 | |
| 3-methyl-4-(sulfooxy)but-2-enoic acid | 24473.17 | 22441.30 | 20322.10 | 20979.00 | |
| 3-Methyl-5-pentyl-2-furanpentadecanoic acid | 14988.81 | 21915.35 | 11037.80 | 10938.50 | |
| 3-Methyl-9H-carbazole-9-carboxaldehyde | 11362.28 | 9432.80 | 9478.20 | 9367.30 | |
| 3-Methylcrotonylglycine | 28118.62 | 28610.10 | 24474.10 | 23639.70 | |
| 3-Methylcyclopentadecanone | 15505.36 | 13817.95 | 18476.20 | 18160.20 | |
| 3-Methyldioxyindole | 135308.24 | 135416.20 | 133153.40 | 133007.80 | |
| 3-Methyleneoxindole | 192668.36 | 200318.60 | 338933.70 | 319417.00 | |
| 3-Methylindole | 61212.20 | 55459.25 | 48266.40 | 47126.40 | |
| 3-(Methylthio)-1-propanol | 8177.94 | 8240.95 | 6466.90 | 6248.20 | |
| 3-(Methylthio)propyl acetate | 114150.08 | 109823.20 | 105224.00 | 109553.80 | |
| 3-Methyluric acid | 68256.65 | 56228.30 | 28384.50 | 28487.50 | |
| 3-O-Sulfogalactosylceramide (d18:1/20:0) | 95663.78 | 88822.10 | 107569.90 | 107290.00 | |
| 3-oxo-(2S)-Methylisocapryloyl-CoA | 16527.79 | 15516.15 | 13957.20 | 14090.20 | |
| 3-Oxo-carbofuran | 18700.90 | 17375.10 | 15829.60 | 15009.60 | |
| 3-Oxodecanoic acid | 61090.03 | 67539.90 | 79425.40 | 76663.70 | |
| 3-Oxohexadecanoic acid glycerides | 33811.84 | 34550.05 | 72968.00 | 70149.90 | |
| 3-Oxooctadecanoic acid | 1525680.33 | 2080546.80 | 1510299.40 | 1615167.50 | |
| 3-Oxotetradecanoic acid | 60045.91 | 66994.60 | 109565.00 | 97532.70 | |
| 3-Phosphoadenylylselenate | 9640.51 | 9666.00 | 8952.50 | 8964.80 | |
| 3^^-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside] | 25411.00 | 24870.85 | 21695.80 | 20763.60 | |
| 3-Propylmalate | 80576.21 | 62157.40 | 49020.70 | 49247.10 | |
| (3S,3^^R,5R,6R)-7^^,8^^-Didehydro-3,6-epoxy-5,6-dihydro-beta... | 17992.51 | 22345.10 | 18787.60 | 20552.00 | |
| 3^^-Sialyllactose | 30284.43 | 29319.75 | 73261.00 | 82557.70 | |
| 3-Sulfinoalanine | 6394.72 | 6333.95 | 7970.30 | 7689.90 | |
| (3Z,6Z)-3,6-Nonadien-1-ol | 13179.54 | 13867.35 | 22608.30 | 20752.50 | |
| (3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol | 8692.58 | 9244.00 | 8848.90 | 8844.40 | |
| 4-(1,1,3,3-Tetramethylbutyl)-phenol | 500896.73 | 530466.25 | 446813.90 | 444887.00 | |
| 4-[11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-{[3,4,5-tr... | 13799.42 | 13177.50 | 17743.80 | 17816.60 | |
| {4-[(1E)-3-({5-[(2-{4-[3-(2,4-dihydroxyphenyl)-3-oxoprop-1-e... | 27011.98 | 26024.65 | 31978.90 | 32502.60 | |
| {4-[(1E)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid | 207726.16 | 200767.70 | 125624.40 | 124942.10 | |
| {4-[(2,4-dihydroxy-3-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymeth... | 17196.07 | 14458.10 | 15903.80 | 15180.70 | |
| 4-[(2,4-Dihydroxyphenyl)azo]benzenesulfonic acid | 17630.47 | 16845.35 | 16875.30 | 16736.60 | |
| 4-(2-Aminophenyl)-2,4-dioxobutanoic acid | 272165.81 | 273510.25 | 276855.40 | 280007.20 | |
| 4-[(2-Furanylmethyl)thio]-2-pentanone | 104756.77 | 88058.10 | 80182.30 | 79226.70 | |
| {4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]p... | 22230.98 | 19979.70 | 18867.20 | 18952.70 | |
| {4-[3-hydroxy-2-oxo-8-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H... | 17461.09 | 16432.10 | 18539.20 | 18960.10 | |
| 4,5-Dihydro-2-methylthiazole | 2567.72 | 2673.80 | 2033.80 | 2122.80 | |
| 4-[7-(3,4-dihydroxy-5-methoxyphenyl)-6,11-dihydroxy-2,8-diox... | 10126.02 | 11143.70 | 10867.20 | 10940.90 | |
| 4-{7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxy-5-... | 8548.43 | 8470.25 | 9017.00 | 9356.20 | |
| 4,7-Didehydroneophysalin B | 49576.77 | 42622.45 | 41034.00 | 41842.10 | |
| {[4-(7-methoxy-2-oxo-2H-chromen-6-yl)but-3-en-2-yl]oxy}sulfo... | 24755.96 | 21641.65 | 19175.30 | 19729.00 | |
| {4,8-dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.1³... | 15686.22 | 19915.70 | 13725.40 | 13405.20 | |
| 4-Acetamidobutanoate | 55434.94 | 54201.95 | 67626.90 | 63762.80 | |
| 4-Acetyl-2(3H)-benzoxazolone | 142402.23 | 114312.35 | 75572.70 | 77843.60 | |
| 4-Acetyl-6-tert-butyl-1,1-dimethylindane | 215485.09 | 217479.85 | 233615.10 | 230322.10 | |
| 4-Amino-1-piperidinecarboxylic acid | 10150.75 | 9924.85 | 10887.00 | 10673.30 | |
| 4-Bromo-3,5-cyclohexadiene-1,2-dione | 4815.09 | 5110.45 | 3555.50 | 3249.50 | |
| 4-Butyl-5-ethylthiazole | 21383.38 | 19822.45 | 19059.40 | 18146.20 | |
| 4-Butyl-5-propylthiazole | 11524.62 | 6255.10 | 6487.50 | 6295.00 | |
| 4-Deoxyannoreticuin | 18060.03 | 26480.30 | 12603.60 | 12737.00 | |
| (4-ethyl-2,6-dihydroxyphenyl)oxidanesulfonic acid | 53288.57 | 44575.20 | 36776.50 | 36220.50 | |
| 4-ethylphenylsulfate | 31461.72 | 46680.55 | 18333.10 | 18506.80 | |
| 4-Guanidinobutanoate | 14216.42 | 14768.60 | 18944.90 | 17624.30 | |
| 4-Hydroxy-16,18-tritriacontanedione | 13629.06 | 16195.00 | 15201.00 | 15727.20 | |
| 4-Hydroxy-17beta-estradiol-2-S-glutathione | 26889.76 | 26875.55 | 19873.20 | 19149.40 | |
| 4-hydroxy-3-nitrophenylacetate | 15533.81 | 16386.25 | 11668.80 | 11956.20 | |
| 4-hydroxy-3-(sulfooxy)benzoic acid | 18481.83 | 15188.35 | 13953.00 | 14065.20 | |
| 4-Hydroxy-5-(3^^,4^^,5^^-trihydroxyphenyl)-valeric acid-O-me... | 17097.40 | 14057.25 | 13066.30 | 13507.50 | |
| 4^^-Hydroxy-5,7-dimethoxyflavan | 243308.25 | 235892.80 | 263013.60 | 269018.40 | |
| 4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-sulphate | 37866.64 | 33620.85 | 36071.90 | 36785.10 | |
| 4-Hydroxy-5-methyl-3(2H)-thiophenone | 3444.80 | 3151.10 | 3490.60 | 3376.90 | |
| 4-Hydroxybenzyl isothiocyanate | 47066.15 | 49944.80 | 28476.60 | 27842.40 | |
| 4-Hydroxybenzyl isothiocyanate 4^^^^-acetylrhamnoside | 45006.58 | 49450.95 | 22002.70 | 21930.20 | |
| 4-Hydroxyphenylpyruvic acid | 39880.93 | 35370.80 | 60528.00 | 71864.10 | |
| 4-Hydroxypropofol | 18863.55 | 18783.00 | 13472.40 | 13188.30 | |
| 4-Methoxycinnamic acid | 301608.55 | 356770.00 | 193401.10 | 193561.20 | |
| 4-Methyl-2-oxopentanoate | 342807.50 | 332856.90 | 212816.70 | 214722.70 | |
| 4-Methyl-4-(methylthio)-2-pentanone | 85168.06 | 78849.60 | 81469.50 | 83166.00 | |
| 4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone | 17834.15 | 17309.40 | 19826.60 | 20010.00 | |
| 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol | 14897.81 | 16466.15 | 25949.90 | 22586.10 | |
| 4^^-N-desmethylolanzapine | 38806.81 | 38482.35 | 79066.90 | 77258.10 | |
| 4-Oxocyclohexanecarboxylate | 19223.12 | 17532.45 | 20768.40 | 18835.60 | |
| 4-phenylbutanic acid-O-sulphate | 43990.87 | 40662.05 | 53853.10 | 60070.60 | |
| 4-Propylphenol | 23942.55 | 25222.10 | 20724.70 | 19775.80 | |
| 4-Pyridoxate | 126418.03 | 114243.70 | 108609.70 | 110063.70 | |
| 4-Vinylphenol sulfate | 43712.02 | 45707.85 | 28524.90 | 26981.70 | |
| 5,10-Pentadecadien-1-ol | 6661.24 | 7025.90 | 7319.40 | 7599.80 | |
| 5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentano... | 67143.30 | 65703.75 | 57364.30 | 56432.00 | |
| 5-(2^^-Carboxyethyl)-4,6-Dihydroxypicolinate | 42117.33 | 40990.65 | 29946.60 | 30101.00 | |
| 5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide | 44348.23 | 42544.50 | 40249.10 | 40010.60 | |
| 5-(2-Hydroxyethyl)-4-methylthiazole | 11077.62 | 10222.05 | 9500.80 | 9551.30 | |
| 5-(2-Hydroxyethyl)-4-methylthiazole acetate | 27476.38 | 26677.35 | 21660.40 | 20916.10 | |
| 5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid | 125539.51 | 121019.75 | 493136.30 | 436002.20 | |
| 5-(3^^,4^^,5^^-trihydroxyphenyl)-gamma-valerolactone-O-methy... | 27420.26 | 24582.50 | 34616.10 | 29532.30 | |
| 5-(3,4-dihydroxyphenyl)-13-(3-hydroxyphenyl)-18-[3,5,7-trihy... | 17786.05 | 16499.50 | 15395.90 | 15606.90 | |
| 5-(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-tr... | 17370.68 | 16390.30 | 26567.90 | 25678.60 | |
| 5-(4-Acetoxy-3-oxo-1-butynyl)-2,2^^-bithiophene | 15849.00 | 14240.95 | 10882.70 | 11015.50 | |
| 5-(4^^-Hydroxyphenyl)-gamma-valerolactone-4^^-O-glucuronide | 116667.92 | 106561.20 | 186057.60 | 203435.90 | |
| (5-{5,7-dihydroxy-4-oxo-3,8-bis[3,4,5-trihydroxy-6-(hydroxym... | 20680.93 | 20069.50 | 20208.70 | 20216.90 | |
| 5,6-Dihydro-11-methoxyyangonin | 55970.19 | 58855.60 | 39287.10 | 38886.50 | |
| 5,6-Epoxy-8,11,14-eicosatrienoic acid | 621445.58 | 604422.95 | 2574962.40 | 2733918.00 | |
| 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-be... | 34588.58 | 33470.10 | 35502.00 | 35372.30 | |
| {5,7-dihydroxy-2-[3-hydroxy-10-(3-methoxyphenyl)-2-oxo-4-oxa... | 19586.49 | 18897.40 | 17488.40 | 16775.50 | |
| 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-3,... | 39753.19 | 35017.45 | 25568.90 | 25374.50 | |
| 5,7-dihydroxy-3-(3-hydroxyphenyl)-4H-chromen-4-one | 85388.70 | 78186.40 | 99809.80 | 99558.60 | |
| 5,8-Tetradecadienoic acid | 66319.37 | 68053.30 | 92270.60 | 88304.40 | |
| 5a,6a-Epoxy-7E-megastigmene-3a,9e-diol 3-glucoside | 183155.08 | 179386.90 | 1225516.70 | 1039646.00 | |
| 5-Acetylamino-6-amino-3-methyluracil | 198507.12 | 184307.95 | 72057.30 | 72647.90 | |
| 5a-Cholesta-8,24-dien-3-one | 13864.90 | 15273.55 | 13971.70 | 13653.50 | |
| 5a-Cholestane-3a,7a,12a,25-tetrol | 96946.42 | 164121.60 | 47573.70 | 47983.70 | |
| 5-Amino-4-imidazole carboxylate | 75209.14 | 27391.60 | 28025.30 | 27729.20 | |
| 5-Aminolevulinic acid | 73430.75 | 65781.40 | 68533.30 | 73600.40 | |
| 5-Androstene-3b,16b,17a-triol | 25791.18 | 25280.50 | 26717.30 | 28519.10 | |
| 5b-Cholestane-3a,7a,12a,23S,25-pentol | 82540.55 | 146610.45 | 43707.40 | 43892.40 | |
| 5^^-Deoxy-5-fluorocytidine | 27873.84 | 26340.35 | 22550.00 | 21793.10 | |
| (5-ethenyl-2-hydroxyphenyl)oxidanesulfonic acid | 103901.28 | 93483.30 | 60850.70 | 61614.30 | |
| 5-Ethyl-4-methyl-2-pentylthiazole | 32032.09 | 30506.55 | 105301.20 | 99576.30 | |
| 5-exo-Hydroxy-1,2-campholide | 33779.45 | 35079.05 | 41262.80 | 40359.70 | |
| 5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid | 68916.72 | 61315.70 | 92579.10 | 87114.20 | |
| 5-Hydroxy-4-methoxy-6-canthinone 3-N-oxide | 50873.95 | 46007.95 | 43279.10 | 43132.70 | |
| 5-Hydroxyindoleacetic acid | 152985.55 | 148223.60 | 179427.70 | 183279.30 | |
| 5-Hydroxymethyl-4-methyluracil | 23279.46 | 22424.25 | 14978.90 | 15087.20 | |
| 5^^-Hydroxymethyl meloxicam | 16709.86 | 15905.20 | 14386.90 | 14811.80 | |
| 5-Hydroxyomeprazole | 43874.64 | 29170.80 | 29508.30 | 29470.80 | |
| 5-Hydroxypentanoic acid | 194283.29 | 153729.55 | 115972.50 | 112528.90 | |
| 5-Hydroxytryptophol | 27703.50 | 25898.50 | 19238.30 | 20075.50 | |
| 5^^-Methoxybilobetin | 19015.04 | 17206.00 | 15262.00 | 15405.80 | |
| 5-Methoxydimethyltryptamine | 53400.90 | 50667.75 | 81948.60 | 77598.00 | |
| 5-Methoxytryptamine | 40020.10 | 40763.40 | 149769.80 | 139526.00 | |
| 5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid | 144238.72 | 137722.15 | 156936.30 | 164508.60 | |
| 5^^-O-Desmethyl omeprazole | 43073.76 | 39991.20 | 39184.20 | 39304.40 | |
| 5-O-phosphonato-alpha-D-ribofuranosyl Diphosphate(5-) | 11776.56 | 11654.60 | 9764.10 | 9777.50 | |
| 5-Pentacosyl-1,3-benzenediol | 19199.24 | 20559.35 | 19234.50 | 19430.20 | |
| 5-Phenylvaleric acid | 24084.82 | 25452.40 | 22895.10 | 22956.40 | |
| 5S,6S-epoxy-15R-hydroxy-ETE | 8641.78 | 8231.45 | 10950.00 | 9812.20 | |
| 5-Sulfosalicylic acid | 39214.48 | 37773.85 | 25654.40 | 24983.40 | |
| 5-Sulfoxymethylfurfural | 221674.36 | 152072.15 | 80142.00 | 83246.80 | |
| 6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0... | 14614.99 | 13990.75 | 12085.40 | 12382.20 | |
| 6-{[1-(7-chloro-3,5,6,8-tetramethoxy-4-oxo-4H-chromen-2-yl)-... | 16640.28 | 15581.50 | 14110.60 | 14799.80 | |
| 6-({2-[(2-{[3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-4-oxo... | 20658.81 | 19099.60 | 21662.90 | 21958.60 | |
| 6-{[2-(2,4-dihydroxyphenyl)-3-(3,7-dimethylocta-2,6-dien-1-y... | 26550.69 | 27060.85 | 19954.10 | 19691.70 | |
| 6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(3,4,5-trihydroxyben... | 14459.94 | 14727.50 | 13382.00 | 13058.70 | |
| 6-[2,3-dihydroxy-5-({[5-hydroxy-2-(hydroxymethyl)-4,6-bis(3,... | 18585.72 | 17986.55 | 17580.90 | 17482.00 | |
| 6-[(2-{4-[(3-{[4-(acetyloxy)-3-hydroxy-4-(hydroxymethyl)oxol... | 22346.81 | 20847.85 | 20054.30 | 19663.60 | |
| ({6-[(2-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydr... | 19127.95 | 18949.20 | 18401.30 | 18914.90 | |
| 6-({2-[4,6-dihydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)-2-m... | 37398.89 | 31857.30 | 30869.00 | 30335.80 | |
| 6-(2,4-dihydroxyphenyl)-2-{3-[(2E)-3-(2,4-dihydroxyphenyl)pr... | 13126.00 | 14617.20 | 11587.00 | 11351.90 | |
| 6-({2-[(acetyloxy)methyl]-4,5,6-trihydroxyoxan-3-yl}oxy)-3,4... | 13639.57 | 10723.60 | 9818.10 | 9803.60 | |
| 6-[2-carboxy-2-(hydroxymethyl)-2-methylethoxy]-3,4,5-trihydr... | 26150.22 | 24339.15 | 33541.30 | 33076.10 | |
| 6-(2-formyl-3,4,5-trihydroxyphenoxy)-3,4,5-trihydroxyoxane-2... | 24755.96 | 21641.65 | 19175.30 | 19729.00 | |
| 6-(3-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydr... | 17584.80 | 16174.25 | 15990.70 | 17150.70 | |
| 6-(3-{5,7-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5H-ch... | 10284.79 | 12061.60 | 8587.20 | 8371.10 | |
| 6-{3,5-dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-oxopropa... | 17500.76 | 17021.20 | 14130.40 | 13996.80 | |
| 6-{3-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydrox... | 29314.19 | 26089.90 | 26751.00 | 25876.70 | |
| 6-({3,7-dihydroxy-2-[3-hydroxy-10-(4-hydroxy-3-methoxyphenyl... | 21634.25 | 20379.20 | 18084.20 | 17764.10 | |
| 6-{4-[(1E)-3-[(3-carboxy-5,6-dihydroxycyclohex-3-en-1-yl)oxy... | 14475.14 | 14319.80 | 13038.30 | 13206.90 | |
| 6-{4-[3-(3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-6-(4-... | 35123.46 | 37559.95 | 36106.10 | 35722.80 | |
| 6-{4-[3-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-8-(3-meth... | 24303.72 | 24306.55 | 21593.90 | 21414.30 | |
| 6-({4,5-dihydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl... | 27155.10 | 32840.10 | 20465.40 | 20907.80 | |
| 6-[4-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane... | 17433.70 | 15741.00 | 17555.50 | 18273.80 | |
| 6-[5-(2-carboxy-2-oxoethyl)-2-hydroxyphenoxy]-3,4,5-trihydro... | 14895.25 | 14473.70 | 13773.80 | 13638.10 | |
| 6-(5-carboxy-2-hydroxy-3-methoxyphenoxy)-3,4,5-trihydroxyoxa... | 17073.21 | 16643.45 | 16247.80 | 16054.40 | |
| 6-{[7,8,8,13,21,22-hexahydroxy-19-(hydroxymethyl)-3,6,16-tri... | 29387.42 | 27791.85 | 26148.50 | 26165.70 | |
| 6-({8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2... | 16361.06 | 15635.05 | 17323.30 | 17655.00 | |
| 6-({8,8-dimethyl-2-oxo-4-phenyl-2H,8H-pyrano[2,3-f]chromen-5... | 27205.80 | 24496.65 | 23245.30 | 22684.10 | |
| 6a, 3^^-p-Dihydroxypaclitaxel | 17092.55 | 16129.30 | 27588.50 | 27327.90 | |
| 6-Acetyl-1,2,3,4-tetrahydropyridine | 6277.02 | 6446.90 | 13240.10 | 13777.70 | |
| 6-(acetyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid | 31387.40 | 30585.65 | 27023.50 | 27637.50 | |
| 6^^-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2^^,3^^,4,4^^,5... | 11395.31 | 11039.45 | 10712.80 | 10590.90 | |
| 6-Cinnamoyl-1-galloylglucose | 14097.64 | 13624.90 | 13111.90 | 13126.50 | |
| 6-Deoxocastasterone | 264980.82 | 467246.95 | 102815.90 | 103184.90 | |
| 6-Deoxodolichosterone | 321675.32 | 548784.65 | 128743.70 | 129403.80 | |
| {[(6E)-3-oxo-1,7-diphenylhepta-4,6-dien-1-yl]oxy}sulfonic ac... | 40572.00 | 39136.60 | 49638.10 | 50580.90 | |
| [6]-Gingerdiol 3,5-diacetate | 84482.38 | 77297.30 | 113536.10 | 116395.30 | |
| 6-Hydroxy-1H-indole-3-acetamide | 23990.84 | 22658.85 | 20361.90 | 19697.00 | |
| {6-hydroxy-3-[3-(3-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-2-met... | 16207.75 | 14260.70 | 19506.00 | 22327.50 | |
| 6-Hydroxygliclazide | 16348.20 | 14253.95 | 14696.30 | 14102.40 | |
| 6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione | 60406.14 | 52433.95 | 51539.00 | 52808.70 | |
| 6-Hydroxypentadecanedioic acid | 149250.26 | 147717.90 | 236512.00 | 218378.80 | |
| 6-Keto-decanoylcarnitine | 28283.02 | 27854.25 | 30524.90 | 30196.30 | |
| 6^^^^-Malonylgenistin | 18919.92 | 16344.65 | 14247.80 | 14435.60 | |
| 6-Methylcoumarin | 27636.19 | 24339.60 | 22950.00 | 23250.40 | |
| 6-Methylthiopurine 5^^-monophosphate ribonucleotide | 16493.47 | 15864.55 | 32964.80 | 29926.50 | |
| 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inos... | 15715.88 | 15546.00 | 13355.30 | 13491.20 | |
| 6^^^^-O-Galloylquercimeritrin | 14798.18 | 15957.15 | 11934.60 | 11616.00 | |
| 6-Phenylundecane | 4287.51 | 4240.70 | 7106.30 | 7158.50 | |
| 7(14)-Bisabolene-2,3,10,11-tetrol | 72900.52 | 75168.55 | 113810.90 | 109183.00 | |
| 7-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydrox... | 17625.45 | 17084.15 | 16190.20 | 16530.80 | |
| 7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-1-oxo-1H-isochr... | 17117.69 | 14936.85 | 19812.50 | 20613.20 | |
| 7-Acetoxy-6-methoxycoumarin | 19214.01 | 18856.30 | 15702.10 | 15581.40 | |
| 7-Aminonitrazepam | 87146.63 | 73447.75 | 63546.30 | 61465.70 | |
| 7C-aglycone | 91352.28 | 84539.65 | 120770.10 | 114091.20 | |
| 7-chloro-2-(3,4-dimethoxyphenyl)-3,5,8-trihydroxy-6-methoxy-... | 20632.28 | 19865.70 | 19348.20 | 19970.40 | |
| 7-hydroxy-6-methoxy-3-(2,3,5-trihydroxy-4-methoxyphenyl)-3,4... | 26507.32 | 23777.15 | 24202.40 | 25343.60 | |
| 7-Hydroxyterpineol 8-glucoside | 63541.67 | 50586.10 | 80734.90 | 74704.10 | |
| 7-Isothiocyanato-1-heptene | 28118.62 | 28610.10 | 24474.10 | 23639.70 | |
| 7-Ketocholesterol | 18051.53 | 25986.30 | 11262.90 | 11399.60 | |
| 7-Mercaptoheptanoic acid | 30866.43 | 31994.40 | 28016.00 | 28698.40 | |
| 7-(Methylthio)heptanenitrile | 9358.89 | 9260.00 | 14297.20 | 14168.70 | |
| 8,11,14-Eicosatrienoic acid | 463272.08 | 389423.05 | 812330.70 | 880106.10 | |
| 8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzop... | 19459.78 | 18140.90 | 15619.10 | 15959.40 | |
| 8-8^^-Dehydrodiferulic acid | 25833.07 | 24392.00 | 22798.40 | 22882.40 | |
| 8-Acetoxy-4^^-methoxypinoresinol 4-glucoside | 27938.04 | 27146.85 | 26096.50 | 25198.00 | |
| 8-Acetoxypinoresinol 4-glucoside | 35714.15 | 36910.25 | 39410.40 | 37376.60 | |
| 8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid | 18879.31 | 18705.05 | 23826.20 | 21831.70 | |
| 8-Desoxygartanin | 18779.35 | 18312.15 | 19065.70 | 19215.90 | |
| 8-Hydroxy-4(6)-lactarene-5,14-diol | 25071.84 | 26899.90 | 29673.40 | 27463.40 | |
| 8-Oxoguanine | 5999.92 | 5918.65 | 5168.20 | 5179.70 | |
| 8-Oxohexadecanoic acid | 194522.52 | 297300.50 | 168808.70 | 167992.40 | |
| 8-Propanoylneosolaniol | 37377.81 | 33303.05 | 28816.00 | 28195.60 | |
| 9,10,13-TriHOME | 340335.33 | 356394.20 | 487100.10 | 500542.70 | |
| 9,10,13-Trihydroxystearic acid | 300369.95 | 296890.30 | 339766.10 | 346266.90 | |
| 9-Carboxymethoxymethylguanine | 27935.09 | 25147.35 | 28075.10 | 28272.80 | |
| 9-Decenoylcholine | 164046.92 | 178308.25 | 144850.70 | 155776.80 | |
| (9E)-Valenciaxanthin | 23576.53 | 26516.65 | 20747.30 | 22034.80 | |
| 9-Oxoasimicinone | 21057.25 | 28596.50 | 26194.10 | 29032.30 | |
| Acamprosate | 58292.16 | 55134.00 | 44760.50 | 45047.50 | |
| Acesulfame | 49975.62 | 109173.85 | 17133.60 | 17187.70 | |
| Acetamide | 2578.94 | 2669.40 | 1958.60 | 2158.20 | |
| Acetaminophen | 248036.18 | 218582.05 | 192106.00 | 192059.10 | |
| Acetaminophen glucuronide | 200164.08 | 144744.50 | 138926.50 | 139424.20 | |
| Acetatic acid | 126722.98 | 114883.65 | 103421.50 | 101772.40 | |
| Acetone | 33130.85 | 31635.95 | 26594.60 | 25129.00 | |
| Acetone cyanohydrin | 4205.89 | 4101.25 | 3950.50 | 4084.60 | |
| Acetyl-Asp | 56973.92 | 55273.60 | 49465.90 | 124959.90 | |
| Acetyl citrate | 53722.30 | 43717.45 | 35687.60 | 35463.60 | |
| Acetyl-CoA | 20414.22 | 20355.05 | 21282.90 | 21151.70 | |
| Acetylcysteine | 5999.92 | 5918.65 | 5168.20 | 5179.70 | |
| Acetyl-Glu | 172148.66 | 166734.35 | 132390.10 | 132774.90 | |
| Acetylglucosamine P | 29648.21 | 28470.85 | 29996.20 | 30918.10 | |
| Acetyl-Glu-semialdehyde | 24067.89 | 24060.85 | 25760.40 | 25843.80 | |
| Acetyl-Leu | 42983.84 | 41328.65 | 86777.20 | 83431.00 | |
| Acetyl-P | 14143.02 | 13916.65 | 17336.30 | 15621.50 | |
| Acetyl-Phe | 41645.45 | 39133.35 | 88909.60 | 99651.60 | |
| Acetyl-T2 Toxin | 76445.94 | 75087.75 | 41799.50 | 41485.80 | |
| Acetyl tributyl citrate | 166883.31 | 167470.65 | 1037382.10 | 886317.70 | |
| Acetyltropine | 4741.16 | 4142.60 | 5797.60 | 5491.00 | |
| Acrolein | 8965.46 | 9059.90 | 7452.70 | 7349.90 | |
| Acrylamide | 2200.55 | 2510.95 | 1966.90 | 1972.50 | |
| ADP-ribose 1"-2" cyclic phosphate | 10757.37 | 10213.80 | 12546.70 | 13109.70 | |
| ADP-Ribosyl-L-arginine | 24159.08 | 23058.90 | 19562.60 | 19422.90 | |
| Aflatoxin B1 dialcohol | 261601.21 | 253771.45 | 273273.10 | 279594.70 | |
| Aflatoxin B1exo-8,9-epoxide-GSH | 14428.81 | 14341.50 | 23433.30 | 26060.10 | |
| Agrocybenine | 9821.86 | 10922.65 | 12235.60 | 11823.30 | |
| Ajoene | 53288.57 | 44575.20 | 36776.50 | 36220.50 | |
| Ala-Ala | 36271.20 | 36086.00 | 54418.40 | 53588.30 | |
| Alanine | 187532.98 | 188441.00 | 159259.30 | 163861.30 | |
| Alanyl-Asparagine | 28736.67 | 28476.35 | 65998.30 | 63160.40 | |
| Alanyl-Glutamate | 27935.09 | 25147.35 | 28075.10 | 28272.80 | |
| Alanyl-Isoleucine | 177334.65 | 181737.25 | 309427.80 | 297841.40 | |
| Alanyl-Methionine | 54482.45 | 51871.90 | 52309.80 | 51379.50 | |
| Alanyl-Proline | 51502.72 | 45354.65 | 108399.60 | 101133.30 | |
| Ala-Ser | 76679.02 | 63270.80 | 41563.70 | 42309.90 | |
| a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D... | 32012.93 | 31133.65 | 24565.70 | 24547.30 | |
| Allantoin | 13483.78 | 13316.50 | 58313.90 | 62301.90 | |
| Alliospiroside C | 27669.02 | 42028.10 | 28809.60 | 27694.10 | |
| Alliosterol 1-rhamnoside 16-galactoside | 24422.06 | 26983.30 | 28530.20 | 28070.20 | |
| Allitridin | 6525.33 | 6037.25 | 5788.60 | 5523.60 | |
| Allixin | 110156.11 | 102480.45 | 134924.30 | 130279.20 | |
| Allolithocholic acid | 220444.60 | 192822.70 | 284879.60 | 303372.40 | |
| Aloesol 7-glucoside | 32741.88 | 33925.40 | 30110.80 | 31538.50 | |
| (alpha-keto-dimethyl-delta-N,N-Dimethylguanidynol) valeric a... | 14961.40 | 14387.30 | 49688.70 | 42918.40 | |
| Alpha-Linolenic acid | 1502334.05 | 1286719.35 | 1941370.50 | 1977745.60 | |
| Alpha-Terpineol | 3939.94 | 4021.05 | 7786.60 | 7752.40 | |
| Alpha-Tetrasaccharide | 27697.31 | 27711.85 | 27474.20 | 28469.30 | |
| alpha-Viniferin | 20620.92 | 20562.60 | 17078.40 | 16629.90 | |
| a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid | 31258.82 | 30249.55 | 36433.50 | 36850.80 | |
| Amifostine | 69884.67 | 71603.30 | 123915.30 | 135322.40 | |
| Aminoacetone | 11127.88 | 9576.00 | 8790.50 | 8747.70 | |
| Aminoadipate | 52075.72 | 88978.90 | 55511.90 | 61928.90 | |
| Aminobutanoic acid (ABA) | 231951.16 | 223594.90 | 194846.80 | 200273.70 | |
| Aminofurantoin | 51367.89 | 47320.15 | 33209.90 | 32818.20 | |
| Aminopentanamide | 6417.75 | 6673.30 | 7183.60 | 7260.20 | |
| Aminophenol | 74319.54 | 77184.20 | 58070.30 | 56638.60 | |
| Amoxicillin | 15176.85 | 14704.25 | 16349.90 | 16051.90 | |
| AMP | 133494.69 | 130094.15 | 128048.30 | 128680.30 | |
| Amrinone | 11021.25 | 10244.85 | 12002.00 | 11429.90 | |
| Amylopectin | 45681.38 | 40354.55 | 41760.10 | 42897.30 | |
| Aniline | 11127.88 | 9576.00 | 8790.50 | 8747.70 | |
| Anisidine | 17990.08 | 17995.35 | 14962.40 | 14547.80 | |
| Annocherin A | 372565.12 | 388792.15 | 451004.50 | 469671.30 | |
| Annoglaucin | 13149.43 | 17555.75 | 9885.80 | 10444.60 | |
| Anserine | 76363.56 | 66857.80 | 89716.10 | 94832.10 | |
| Anthopleurine | 9358.89 | 9260.00 | 14297.20 | 14168.70 | |
| Anthranilate | 39577.50 | 40083.90 | 33420.20 | 32844.10 | |
| Antipyrine | 290591.67 | 251074.00 | 244021.50 | 242906.60 | |
| Apigenin 4^^-[feruloyl-(->2)-glucuronyl-(1->2)-glucuro... | 22343.19 | 21684.10 | 23817.30 | 23943.40 | |
| Apiumoside | 17934.75 | 19028.25 | 42805.30 | 45653.10 | |
| Arabinopyranobiose | 55713.84 | 49525.35 | 58136.20 | 57886.10 | |
| Arachidonic acid | 1831903.43 | 1600607.30 | 4577579.60 | 4775510.20 | |
| Arenaine | 7172.66 | 7896.45 | 8776.80 | 8614.40 | |
| Arginine | 906210.16 | 860999.35 | 1029347.60 | 1007270.40 | |
| Arginyl-Aspartate | 33438.50 | 29190.40 | 40841.30 | 44775.90 | |
| Arginyl-Glycine | 20845.39 | 20632.75 | 23759.60 | 23084.20 | |
| Arginyl-Histidine | 29820.18 | 29120.60 | 26718.70 | 26777.40 | |
| Arginyl-Isoleucine | 92152.90 | 92097.70 | 92865.70 | 92652.80 | |
| Arginyl-Phenylalanine | 25244.75 | 25389.40 | 26669.30 | 26072.40 | |
| Artemether | 102825.96 | 91338.50 | 94042.10 | 92291.90 | |
| Artocarbene | 67205.70 | 58923.90 | 59232.70 | 61433.30 | |
| Artonin D | 27296.30 | 27660.90 | 86780.90 | 96339.10 | |
| AS 1-1 | 11142.57 | 11441.10 | 9910.40 | 10225.30 | |
| Ascorbic acid-2-sulfate | 95924.98 | 77433.80 | 135254.70 | 127299.90 | |
| Ascorbigen | 22482.97 | 20912.40 | 27396.30 | 29193.60 | |
| Asitribin | 15876.44 | 22758.20 | 18221.70 | 18563.30 | |
| Asparagine | 102116.21 | 111616.65 | 80602.30 | 79103.60 | |
| Asparaginyl-Phenylalanine | 25047.78 | 24832.00 | 42008.00 | 43674.40 | |
| Asparaginyl-Proline | 28862.57 | 28654.45 | 29818.20 | 30706.90 | |
| Asparaginyl-Threonine | 22171.00 | 21101.90 | 18972.80 | 18641.20 | |
| Asparaginyl-Tryptophan | 38806.81 | 38482.35 | 79066.90 | 77258.10 | |
| Asparaginyl-Valine | 40364.80 | 43779.15 | 58380.40 | 57847.00 | |
| Asparagoside A | 23295.71 | 27460.15 | 26528.80 | 29559.60 | |
| Asparagoside B | 34455.47 | 40865.75 | 29828.40 | 30270.70 | |
| Asparagusic acid | 11292.10 | 11324.30 | 12142.60 | 13870.20 | |
| Aspartate | 189269.35 | 193882.75 | 194469.00 | 200443.60 | |
| Aspartate semialdehyde | 24674.80 | 22979.45 | 20340.40 | 19094.90 | |
| Aspartylglycosamine | 39199.97 | 36063.45 | 35827.60 | 36267.60 | |
| Asperagenin | 100365.05 | 149338.00 | 70762.60 | 71924.10 | |
| Austalide H | 45741.68 | 57178.65 | 74461.00 | 76683.00 | |
| Avenanthramide L | 22234.45 | 20460.45 | 36940.20 | 36251.50 | |
| Avocadyne | 65271.97 | 73155.10 | 60796.70 | 60268.80 | |
| Azelaic acid | 2304452.81 | 2265171.55 | 12367474.60 | 11263083.70 | |
| Barbiturate | 4391.69 | 4254.45 | 4198.60 | 4162.10 | |
| b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1... | 19355.80 | 19041.05 | 18271.80 | 18230.50 | |
| Benzamide | 26402.63 | 24121.30 | 24067.70 | 24725.60 | |
| Benzene | 3709.37 | 3442.35 | 2929.50 | 2920.20 | |
| Benzeneacetonitrile | 119009.41 | 127604.55 | 182329.00 | 172897.90 | |
| Benzoate | 163376.36 | 146306.60 | 142511.00 | 131219.80 | |
| Benzoyl peroxide | 35781.69 | 33601.40 | 30550.00 | 31340.20 | |
| Benzyl alcohol | 457152.85 | 415786.60 | 166440.40 | 165574.60 | |
| Benzyl methyl disulfide | 30248.69 | 28719.65 | 35586.70 | 34830.10 | |
| beta-Casomorphin (1-6) | 34269.31 | 36031.40 | 29632.80 | 38836.80 | |
| beta-D-Galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glu... | 15834.92 | 15625.25 | 15485.00 | 15874.10 | |
| Betanin | 21819.29 | 19368.60 | 18429.00 | 18665.30 | |
| beta-Sitosterol 3-O-beta-D-galactopyranoside | 55730.61 | 88000.25 | 55711.40 | 55712.90 | |
| Betavulgaroside VI | 25337.60 | 23986.35 | 30431.50 | 30074.80 | |
| Bethanidine | 3560.02 | 3327.65 | 3067.80 | 3100.20 | |
| Bilirubin | 769617.79 | 881181.30 | 390571.70 | 385017.90 | |
| Bilirubin glucuronide | 14589.82 | 13896.15 | 13891.00 | 14320.90 | |
| Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one | 21274.58 | 26301.65 | 21587.80 | 21965.60 | |
| Bismurrayafoline E | 17748.08 | 22039.20 | 27536.70 | 27386.50 | |
| Bisnorcholic acid | 119985.49 | 116996.60 | 126251.10 | 128754.20 | |
| Blighinone | 33150.52 | 32163.45 | 40979.70 | 43641.70 | |
| BL II | 14614.99 | 13990.75 | 12085.40 | 12382.20 | |
| Brassicanal A | 20643.46 | 20546.60 | 15418.60 | 17349.10 | |
| Brassica napus non-fluorescent chlorophyll catabolite 3 | 24303.72 | 24306.55 | 21593.90 | 21414.30 | |
| Brassinolide | 90708.19 | 150761.75 | 64906.20 | 66887.60 | |
| Bromobenzene-2,3-dihydrodiol | 3609.07 | 3626.60 | 4774.00 | 4620.80 | |
| B-Sulfinyl pyruvate | 2036.75 | 2008.40 | 1944.30 | 1918.50 | |
| Bufotenin | 30799.01 | 32505.25 | 70309.60 | 66873.00 | |
| Butalbital | 32007.32 | 33312.75 | 46045.80 | 42310.10 | |
| Butanal | 6244.36 | 5306.35 | 8132.60 | 7529.20 | |
| Butyl 3-O-caffeoylquinate | 36992.28 | 47826.80 | 25413.70 | 25006.00 | |
| Butyl (S)-3-hydroxybutyrate glucoside | 55544.17 | 57124.80 | 94372.70 | 97880.80 | |
| Butynal | 5896.20 | 5440.15 | 6166.50 | 6109.90 | |
| Butynol | 7917.32 | 7938.70 | 13938.70 | 12814.10 | |
| Butyryl-CoA | 20008.05 | 19485.50 | 22630.50 | 22882.10 | |
| C10:1 | 36799.60 | 34007.85 | 27956.40 | 26870.50 | |
| C10:2 | 39739.94 | 33886.90 | 23521.10 | 23116.00 | |
| C12:1 | 43701.45 | 40169.90 | 34992.80 | 33167.40 | |
| C12:4 | 29078.66 | 29389.70 | 27891.50 | 27891.00 | |
| C13:0 | 78679.54 | 72925.30 | 71395.30 | 68406.40 | |
| C13:2 | 64521.76 | 70188.60 | 63261.30 | 62773.20 | |
| C14:0 | 1800171.42 | 1554259.10 | 1408744.10 | 1359320.50 | |
| C14:1 | 245771.24 | 225910.45 | 190036.00 | 178756.80 | |
| C15:0 | 1132499.80 | 920799.15 | 811073.90 | 810447.70 | |
| C15:1 | 80103.52 | 71454.00 | 76483.20 | 73880.60 | |
| C16:2 | 71210.06 | 60174.95 | 84881.20 | 80671.10 | |
| C16:3 | 34138.17 | 30012.35 | 45107.40 | 43070.50 | |
| C16:4 | 30980.68 | 29794.10 | 26032.30 | 25214.90 | |
| C16 Cer | 45037.01 | 36033.00 | 38903.70 | 37888.20 | |
| C16DH Cer | 20470.50 | 21653.75 | 19540.70 | 19711.20 | |
| C18:2 | 18062933.03 | 14605447.10 | 24421188.90 | 24768171.90 | |
| C18 Cer | 16729.80 | 14654.65 | 14646.80 | 15317.80 | |
| C18DH Cer | 15228.33 | 13864.45 | 14432.00 | 15071.60 | |
| C20:1 | 618847.20 | 496281.65 | 878003.80 | 848494.70 | |
| C20 Cer | 14444.34 | 15456.80 | 9981.80 | 9913.90 | |
| C21:1 | 16783.66 | 14839.20 | 20616.20 | 19321.50 | |
| C22:4 | 295708.05 | 225808.05 | 458979.50 | 463219.40 | |
| C22:5 | 421514.45 | 329541.95 | 620907.80 | 649052.70 | |
| C22:6 | 1134826.87 | 933671.70 | 3072390.70 | 3284654.40 | |
| C22 Cer | 20355.87 | 19275.50 | 17017.20 | 18037.10 | |
| C23:0 | 86005.45 | 113976.25 | 65796.30 | 67410.20 | |
| C23:1 | 20015.77 | 21498.70 | 17822.30 | 18451.10 | |
| C24:1 | 101736.96 | 92901.85 | 88798.80 | 86947.70 | |
| C24:1 Cer | 22949.82 | 20947.55 | 21145.40 | 22603.60 | |
| C24:3 | 19869.63 | 22739.50 | 16936.40 | 17004.00 | |
| C24:4 | 33689.71 | 32488.75 | 49836.50 | 50196.50 | |
| C24:5 | 33899.41 | 31498.65 | 60923.10 | 64365.90 | |
| C24 Cer | 27518.63 | 24896.40 | 20488.60 | 22286.40 | |
| C24 CerP | 21257.27 | 20527.90 | 20052.10 | 20597.10 | |
| C25:0 | 76809.33 | 105441.55 | 52857.90 | 53719.30 | |
| C25:1 | 21335.90 | 29257.70 | 13837.70 | 13876.90 | |
| C26:0 | 151050.55 | 225853.90 | 102391.20 | 107102.90 | |
| C26:1 | 36903.29 | 48950.25 | 23550.90 | 23269.00 | |
| C26 Cer | 27341.42 | 26424.75 | 17906.30 | 17696.50 | |
| C26DH Cer | 24839.20 | 23690.50 | 16331.70 | 15858.80 | |
| C29:3 | 65855.59 | 78454.65 | 50837.20 | 50097.50 | |
| C30:1 | 22988.75 | 27572.60 | 23795.70 | 23865.50 | |
| C3:0 (Propionic acid) | 250412.39 | 163862.95 | 166078.70 | 169848.00 | |
| C4:0 (Butyric acid) | 13134.82 | 13373.25 | 12246.00 | 12241.10 | |
| C5:2 | 68436.47 | 66900.15 | 55379.20 | 54853.40 | |
| C9:1 | 33393.34 | 34718.55 | 53076.30 | 51299.50 | |
| C9:2 | 21532.18 | 21297.10 | 28785.40 | 26262.70 | |
| Caffeoylcycloartenol | 26706.71 | 29324.90 | 18936.50 | 18428.30 | |
| Caffeoylmalic acid | 23528.26 | 22599.70 | 23801.50 | 23754.90 | |
| Calystegin B2 | 33949.38 | 32281.00 | 30889.30 | 31992.30 | |
| Calystegine C1 | 28437.63 | 27882.80 | 37076.70 | 37299.00 | |
| Campesteryl alpha-linolenate | 12565.60 | 11765.40 | 10809.70 | 11964.40 | |
| Campesteryl elaidate | 11425.60 | 11258.40 | 9929.90 | 9705.70 | |
| Capecitabine | 22199.74 | 24108.90 | 21450.00 | 21898.90 | |
| Caprolactam | 13414.47 | 12803.15 | 6511.00 | 6423.60 | |
| Capryloylglycine | 18700.84 | 17449.90 | 33740.80 | 33199.80 | |
| Capsidiol | 14866.30 | 17311.95 | 17985.90 | 17961.10 | |
| Carbamoyl-Ser | 169336.77 | 168170.25 | 203027.80 | 210055.00 | |
| Carbidopa | 60411.02 | 60857.90 | 65706.80 | 68599.60 | |
| Carissanol | 51899.61 | 38255.35 | 32512.00 | 31808.30 | |
| Carnitine | 19059.37 | 15883.80 | 21186.90 | 23813.90 | |
| Carnosic acid | 125547.86 | 108350.90 | 88582.30 | 86381.30 | |
| Casimiroin | 35472.09 | 32830.95 | 28721.10 | 27724.60 | |
| Castavinol | 17934.75 | 19028.25 | 42805.30 | 45653.10 | |
| Catechol | 141162.58 | 138214.10 | 114964.70 | 109062.90 | |
| Cavipetin C | 91197.44 | 103613.00 | 112894.40 | 105084.60 | |
| CDP | 18337.30 | 17256.95 | 19717.90 | 20948.90 | |
| CDP-DG(16:1(9Z)/18:2(9Z,12Z)) | 23339.69 | 22511.45 | 19074.90 | 18991.40 | |
| CDP-DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) | 20779.04 | 19849.40 | 17020.00 | 16868.60 | |
| CDP-DG(a-13:0/18:2(9Z,11Z)) | 93755.84 | 87341.45 | 75574.80 | 75023.30 | |
| CDP-DG(a-13:0/a-13:0) | 19945.84 | 19854.50 | 34805.80 | 35797.90 | |
| CDP-DG(a-13:0/i-12:0) | 24222.48 | 23667.25 | 21746.70 | 23374.80 | |
| CDP-DG(a-13:0/i-14:0) | 23766.97 | 22004.50 | 18685.50 | 18524.90 | |
| CE(20:0) | 13333.40 | 12848.30 | 9780.70 | 9709.10 | |
| CE(20:3(8Z,11Z,14Z)) | 12338.42 | 11760.65 | 10629.70 | 11226.10 | |
| CE(3D5) | 13019.51 | 16224.75 | 24663.90 | 25146.00 | |
| Ceanothine B | 58487.75 | 72901.95 | 62160.90 | 61386.20 | |
| Cefmenoxime | 10126.02 | 11143.70 | 10867.20 | 10940.90 | |
| Ceforanide | 10067.52 | 10209.40 | 9464.70 | 9318.70 | |
| Cefprozil | 10342.79 | 9688.95 | 11616.10 | 11938.30 | |
| Ceftazidime | 19586.49 | 18897.40 | 17488.40 | 16775.50 | |
| Ceramide (d18:1/25:0) | 18421.62 | 18222.85 | 13908.60 | 13773.40 | |
| Cer(d18:1/23:0) | 17042.92 | 16442.85 | 17304.30 | 18211.80 | |
| Cerebronic acid | 106182.19 | 111683.60 | 90999.80 | 95056.10 | |
| Cer(t18:0/16:0) | 24310.28 | 27880.85 | 37626.80 | 39061.60 | |
| Cevimeline | 287199.78 | 266240.85 | 778333.70 | 805999.80 | |
| Chalciporone | 93545.77 | 93030.35 | 250479.00 | 230930.90 | |
| Cholate | 2640898.88 | 2639100.90 | 3094086.10 | 3148731.30 | |
| Cholesterol glucuronide | 32783.42 | 32913.65 | 31215.60 | 32244.40 | |
| Cholic acid glucuronide | 47895.61 | 50274.25 | 36941.70 | 37684.20 | |
| Chondroitin | 60367.08 | 66026.95 | 46273.20 | 47469.50 | |
| Chorismate | 33359.33 | 31192.15 | 25414.70 | 26164.40 | |
| Chrycolide | 53722.30 | 43717.45 | 35687.60 | 35463.60 | |
| Cibulins | 4490.06 | 4531.25 | 4019.40 | 4043.40 | |
| Ciclesonide | 44814.90 | 52383.70 | 42698.10 | 46049.10 | |
| C.I. Food Black 1 | 11831.75 | 11338.45 | 14191.90 | 14193.90 | |
| C.I. Food Brown 3 | 9618.31 | 9525.45 | 9646.70 | 9338.90 | |
| Cinnamyl benzoate | 47590.74 | 44766.30 | 61386.20 | 68517.50 | |
| Cinncassiol A | 248191.08 | 200781.50 | 181468.80 | 178714.70 | |
| Cinncassiol D2 glucoside | 50939.36 | 48689.10 | 39825.60 | 40348.70 | |
| Ciprofloxacin | 26939.25 | 25694.25 | 29081.10 | 30109.40 | |
| Cis-2-coumarate | 17389.38 | 18087.65 | 18172.10 | 19392.60 | |
| cis-4-Decenedioic acid | 61152.01 | 58784.55 | 101462.20 | 95462.80 | |
| cis-4-Hydroxycyclohexylacetic acid | 55030.99 | 53220.20 | 82290.10 | 75127.90 | |
| Cis-5-Caffeoylquinic acid | 20182.54 | 18985.75 | 18095.70 | 17930.90 | |
| cis- and trans-5-Ethyl-4-methyl-2-(2-butyl)-thiazoline | 6187.49 | 6193.45 | 7474.70 | 7104.70 | |
| Cis-zeatin-7-N-glucoside | 18779.35 | 18312.15 | 19065.70 | 19215.90 | |
| Citronellyl formate | 49845.55 | 46055.45 | 31352.90 | 31035.90 | |
| Citrulline | 80223.52 | 73728.35 | 119204.10 | 119084.80 | |
| Citrusinine II | 21478.07 | 19394.95 | 22890.60 | 24115.80 | |
| Clavulanate | 21273.32 | 18611.60 | 16551.20 | 16581.30 | |
| Cloversaponin I | 27233.91 | 30524.30 | 25128.60 | 26153.00 | |
| Cloxacillin | 10971.62 | 11033.25 | 17886.00 | 18396.00 | |
| CMP | 60485.01 | 58949.00 | 99271.90 | 124166.60 | |
| Corchorifatty acid F | 233976.89 | 247158.90 | 250087.50 | 260210.30 | |
| Cortisol | 78769.32 | 68330.75 | 169980.40 | 177334.20 | |
| Cortolone-3-glucuronide | 58706.70 | 51889.20 | 36675.80 | 36839.40 | |
| CPA(16:0/0:0) | 56826.42 | 55679.60 | 150143.40 | 171472.20 | |
| Creatinine | 280477.50 | 271817.85 | 146026.50 | 142284.50 | |
| Cucurbic acid | 86021.94 | 102299.20 | 101062.20 | 99289.20 | |
| Cuminaldehyde | 26744.99 | 24765.70 | 24371.00 | 24923.00 | |
| Cyanidin 3-O-[b-D-Xylopyranosyl-(1->2)-[4-hydroxycinnamoy... | 18793.39 | 17182.90 | 25117.20 | 25330.10 | |
| Cyanuric acid | 4701.65 | 3839.20 | 4919.60 | 4803.20 | |
| Cyclic AMP | 57090.19 | 54445.30 | 52996.70 | 53490.70 | |
| Cyclocalopin F | 76036.92 | 76586.10 | 64740.50 | 63836.90 | |
| Cycloheptanecarboxylic acid | 57099.80 | 52177.10 | 110948.30 | 102332.00 | |
| Cyclohexanone | 16164.23 | 15121.70 | 31378.70 | 29437.80 | |
| Cyclohexenone | 10505.06 | 10140.85 | 18945.80 | 17835.60 | |
| (Cyclohexylmethyl)pyrazine | 13082.04 | 12222.25 | 8170.70 | 7990.30 | |
| Cyclopassifloic acid B | 19356.51 | 28493.90 | 12871.40 | 12963.50 | |
| Cyclopassifloic acid E | 24085.78 | 25024.90 | 33683.70 | 42993.40 | |
| Cyclopassifloside II | 19176.60 | 21647.30 | 20603.40 | 21243.10 | |
| Cymarose | 301608.55 | 356770.00 | 193401.10 | 193561.20 | |
| Cys | 17740.09 | 16572.60 | 10791.00 | 10839.30 | |
| Cysteic acid | 7494.90 | 6901.60 | 5972.50 | 5892.90 | |
| Cysteinyl-Hydroxyproline | 37749.36 | 35253.65 | 33705.10 | 32346.90 | |
| Cytosine | 18507.36 | 15111.60 | 14607.30 | 13789.70 | |
| D-2-Hydroxyisocaproate | 96856.59 | 89937.25 | 78627.10 | 74855.40 | |
| Dalfopristin | 32679.93 | 34246.35 | 34076.00 | 35356.30 | |
| dAMP | 28582.24 | 29132.10 | 26800.10 | 27266.90 | |
| Daucic acid | 240006.02 | 235719.20 | 166706.70 | 161982.60 | |
| dCMP | 37335.64 | 35356.50 | 33726.80 | 33198.90 | |
| Decanoic acid (FA10:0) | 192411.40 | 146986.35 | 100726.60 | 105737.20 | |
| Deferoxamine | 176906.04 | 190341.45 | 444456.50 | 471481.90 | |
| Dehydroalanine | 2024.35 | 2091.10 | 1544.00 | 1443.00 | |
| Dehydroepiandrosterone | 47057.57 | 47366.90 | 52111.50 | 50548.20 | |
| Dehydroepiandrosterone sulfate | 600995.53 | 1273523.60 | 232971.60 | 233081.50 | |
| Dehydropipernonaline | 20379.67 | 19863.90 | 22583.80 | 22223.30 | |
| Delphinidin 3-(6^^^^-malonylglucoside) 5-glucoside | 15745.33 | 15371.60 | 14943.90 | 14681.40 | |
| delta3,5-Deoxytigogenin | 28774.82 | 39348.85 | 32986.40 | 36046.90 | |
| Delta-Hexanolactone | 23689.36 | 23138.80 | 28197.20 | 26350.40 | |
| Demethoxyegonol | 39637.77 | 27492.85 | 29491.10 | 29438.50 | |
| De-O-methylsimmondsin | 51398.51 | 46340.40 | 51981.10 | 54202.60 | |
| De-O-methylsterigmatocystin | 51747.75 | 51992.05 | 47925.70 | 46810.00 | |
| Deoxyadenosine | 33163.38 | 31671.20 | 32685.20 | 32678.70 | |
| Deoxyhexose | 357135.23 | 421327.85 | 217112.20 | 214742.60 | |
| Deoxyinosine | 109886.05 | 105754.35 | 136921.60 | 174097.80 | |
| Deoxynivalenol | 106325.48 | 95005.60 | 90784.20 | 91838.90 | |
| Deoxyribose | 119429.85 | 95540.70 | 70396.70 | 70370.20 | |
| Deoxythymidine diphosphate-l-rhamnose | 12976.91 | 11962.70 | 11817.20 | 11697.50 | |
| Deoxyuridine | 58353.61 | 54714.90 | 85813.70 | 83324.30 | |
| Desglucocoroloside | 109046.48 | 114703.45 | 198313.40 | 206039.30 | |
| Dethiobiotin | 263442.64 | 258698.05 | 257136.20 | 255103.20 | |
| DG(11D3/11D5/0:0) | 58284.41 | 55819.20 | 57490.60 | 61154.00 | |
| DG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) | 16302.99 | 22965.70 | 15961.30 | 16678.50 | |
| DG(14:1(9Z)/15:0/0:0) | 102691.25 | 195070.10 | 41624.60 | 41919.70 | |
| DG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0) | 38909.32 | 59409.80 | 29416.10 | 30252.30 | |
| DG(15:0/16:1(9Z)/0:0) | 107879.26 | 185722.50 | 44373.90 | 44862.30 | |
| DG(15:0/18:2(9Z,12Z)/0:0) | 658420.14 | 1237092.85 | 249466.60 | 250496.70 | |
| DG(15:0/18:3(6Z,9Z,12Z)/0:0) | 737936.49 | 1291464.30 | 311133.70 | 308992.70 | |
| DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0) | 551089.62 | 774096.20 | 232842.40 | 233471.80 | |
| DG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) | 57019.30 | 57168.70 | 181073.80 | 205722.30 | |
| DG(16:0/22:4(7Z,10Z,13Z,16Z)/0:0) | 15829.57 | 18342.40 | 16239.50 | 18178.30 | |
| DG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) | 15180.54 | 15840.05 | 15255.00 | 15529.20 | |
| DG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | 15829.57 | 18342.40 | 16239.50 | 18178.30 | |
| DG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | 11142.57 | 11441.10 | 9910.40 | 10225.30 | |
| DG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) | 19953.12 | 26089.00 | 19172.50 | 19879.60 | |
| DG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/0:0) | 23392.81 | 22330.55 | 19304.20 | 18376.20 | |
| DG(20:0/0:0/18:2n6) | 16094.92 | 15789.80 | 11474.70 | 11766.50 | |
| DG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | 17026.05 | 17169.15 | 12953.40 | 13398.90 | |
| DG(20:3n9/0:0/18:2n6) | 39850.99 | 43101.65 | 72724.10 | 76245.90 | |
| DG(24:1n9/0:0/18:2n6) | 23866.39 | 22583.75 | 21072.90 | 21443.50 | |
| DG(8:0/0:0/i-15:0) | 54623.86 | 112676.00 | 25400.10 | 25575.00 | |
| DG(8:0/13:0/0:0) | 16348.56 | 21807.85 | 11314.40 | 11411.40 | |
| DG(8:0/i-14:0/0:0) | 14729.83 | 21658.35 | 10359.30 | 10479.80 | |
| D-Glyceric acid | 63945.84 | 62812.05 | 39204.40 | 39997.40 | |
| D-Glycero-D-galacto-heptitol | 67045.87 | 57249.90 | 43591.50 | 41701.60 | |
| DHAP(10:0) | 28439.54 | 26533.30 | 29187.00 | 29238.20 | |
| Di-2-thienyl disulfide | 18542.86 | 19351.60 | 17290.40 | 17179.70 | |
| Diadenosine diphosphate | 24822.21 | 22223.75 | 20246.70 | 20062.40 | |
| Dibenzyl disulfide | 96357.16 | 89261.05 | 102123.70 | 104644.60 | |
| Dicyclohexyl disulfide | 56798.86 | 58296.50 | 160316.90 | 147004.60 | |
| Didymin | 23660.15 | 23177.40 | 22888.30 | 22607.20 | |
| Diethyl disulfide | 2133.69 | 1980.00 | 1619.60 | 1780.40 | |
| Diethyldithiophosphate | 17014.09 | 15986.80 | 24555.90 | 27082.00 | |
| Diethyl tartrate | 73474.55 | 72284.75 | 83681.00 | 85024.50 | |
| Digitalose | 31953.44 | 28829.90 | 27967.40 | 29573.40 | |
| Diguanosine triphosphate | 14352.51 | 13341.00 | 12443.40 | 12348.00 | |
| Dihydro-3(2H)-thiophenone | 16557.85 | 15174.30 | 14488.20 | 14144.90 | |
| Dihydro-4,4-dimethyl-2,3-furandione | 32817.07 | 28656.05 | 29000.50 | 27778.60 | |
| Dihydro-4-mercapto-3(2H)-furanone | 3627.78 | 3440.10 | 2565.70 | 2445.10 | |
| Dihydro-5-(2-octenyl)-2(3H)-furanone | 38413.61 | 42406.65 | 36951.90 | 36355.50 | |
| Dihydro-6-isopropyl-2,4-dimethyl-4H-1,3,5-dithiazine | 28437.63 | 27882.80 | 37076.70 | 37299.00 | |
| Dihydrobiopterin | 27937.27 | 35060.35 | 24544.40 | 23490.60 | |
| Dihydrothymine | 181628.29 | 176108.00 | 155781.90 | 152168.10 | |
| Dihydrouracil | 70366.13 | 69112.50 | 60784.50 | 58211.60 | |
| Dihydroxy-methylthiopentanoic acid | 17389.38 | 18087.65 | 18172.10 | 19392.60 | |
| Diisopropyl disulfide | 153230.85 | 157335.75 | 106141.20 | 106407.00 | |
| Diisopropyl sulfide | 105855.71 | 104389.60 | 74915.90 | 75192.40 | |
| Dimethylallylpyrophosphate | 25898.22 | 24175.25 | 20256.10 | 19867.10 | |
| Dimethylprotoporphyrin IX dimethyl ester | 20469.15 | 21374.60 | 20808.80 | 21018.10 | |
| Dimethyl sulfone | 7120.04 | 6910.65 | 5420.90 | 5308.20 | |
| Dimethyl tetrasulfide | 34042.25 | 32227.85 | 27918.50 | 31095.10 | |
| Dipropyl trisulfide | 27224.78 | 26255.50 | 22585.60 | 22202.40 | |
| Disaccharide | 143296.75 | 138845.60 | 136748.30 | 137528.90 | |
| Disialyllactose | 18215.74 | 17252.00 | 19655.70 | 19837.00 | |
| DL-2-Aminooctanoic acid | 7616.06 | 6319.35 | 6409.30 | 6062.80 | |
| Docosahexaenoylcarnitine | 20632.28 | 19865.70 | 19348.20 | 19970.40 | |
| Dodecanedioic acid | 284411.32 | 268670.55 | 879678.50 | 815562.80 | |
| Dodecanoic acid (FA12:0) | 424172.52 | 436594.55 | 230427.80 | 238133.70 | |
| Dodecaprenyl diphosphate | 16579.42 | 15375.30 | 14974.10 | 15167.10 | |
| Dolichosterone | 137387.58 | 171439.85 | 94409.20 | 97074.00 | |
| Dopamine | 18820.92 | 18250.65 | 14053.10 | 13369.70 | |
| Dopamine 4-sulfate | 67606.42 | 59110.05 | 40667.00 | 40855.70 | |
| Doxorubicinol | 15628.89 | 15717.15 | 13853.40 | 14407.70 | |
| dTDP | 15845.38 | 14331.00 | 14259.40 | 14703.10 | |
| dUDP | 18476.31 | 17120.45 | 17765.60 | 17735.80 | |
| Dulxanthone E | 25317.91 | 23957.05 | 21449.30 | 21456.00 | |
| D-Urobilinogen | 80457.98 | 64967.20 | 52804.30 | 53758.90 | |
| E-10-Hydroxyamitriptyline | 26939.25 | 25694.25 | 29081.10 | 30109.40 | |
| (E)-1,11-Tridecadiene-3,5,7,9-tetrayne | 26718.79 | 29765.70 | 21456.70 | 20921.60 | |
| (E)-4-Isothiocyanato-1-(methylthio)-1-butene | 8443.54 | 8102.55 | 5611.40 | 5402.40 | |
| (E)-4-(Trimethylammonio)but-2-enoate | 13838.70 | 12954.90 | 10838.10 | 10622.50 | |
| Ecgoninium Methyl Ester(1+) | 103728.22 | 91482.20 | 85895.80 | 80857.70 | |
| Eicosadienoic acid | 291847.01 | 227444.55 | 374540.50 | 403204.60 | |
| Eicosapentaenoic acid | 243152.00 | 202179.50 | 397850.60 | 400358.50 | |
| Entacapone | 18152.08 | 16917.15 | 23961.00 | 23291.20 | |
| (-)-Epigallocatechin 3-gallate 7-glucoside 4"-glucuronide | 27011.98 | 26024.65 | 31978.90 | 32502.60 | |
| Epinastine | 20079.33 | 19908.70 | 29243.40 | 27975.80 | |
| Epoxyeremopetasinorol | 57481.87 | 65829.55 | 38177.60 | 37010.70 | |
| Ercalcitriol | 33037.58 | 37701.95 | 36982.60 | 38738.40 | |
| Eremopetasinorol | 23746.62 | 25166.60 | 25123.30 | 24232.40 | |
| Ergonovine | 15647.38 | 15331.40 | 15245.40 | 15345.40 | |
| Erinapyrone C | 27476.38 | 26677.35 | 21660.40 | 20916.10 | |
| Erlotinib | 22616.85 | 22078.85 | 20758.80 | 20546.50 | |
| Erucic acid | 76337.55 | 66094.20 | 90666.80 | 87523.80 | |
| Erucin | 58292.16 | 55134.00 | 44760.50 | 45047.50 | |
| Erythro-4-hydroxy-L-glutamate(1-) | 12093.04 | 11492.50 | 10943.00 | 10250.30 | |
| Erythro-5-hydroxy-L-lysinium(1+) | 6182.25 | 5354.35 | 5204.30 | 5530.60 | |
| Esomeprazole | 20631.34 | 17814.50 | 17734.70 | 17936.30 | |
| Ethionamide | 37664.41 | 36578.00 | 34291.60 | 34422.30 | |
| Ethionamide sulphoxide | 32768.77 | 28717.15 | 29797.00 | 29964.70 | |
| Ethyl 2-hydroxy-3-(3-indolyl)propanoate glucoside | 19692.47 | 18701.40 | 17204.00 | 17327.30 | |
| Ethyl 4-(acetylthio)butyrate | 43374.87 | 37759.55 | 28341.80 | 27864.90 | |
| Ethyl beta-D-glucopyranoside | 44882.28 | 36263.05 | 36724.50 | 36412.30 | |
| Ethyl glucuronide | 82555.00 | 71764.45 | 82614.40 | 85153.80 | |
| Ethyl isovalerate | 15899.87 | 16385.80 | 20457.60 | 19529.60 | |
| Ethyl (S)-3-hydroxybutyrate glucoside | 30990.98 | 29406.60 | 34967.40 | 35458.50 | |
| Ethyl tiglate | 31587.26 | 30569.80 | 52101.20 | 49519.30 | |
| Ethyl vanillin isobutyrate | 32695.78 | 33074.25 | 49250.60 | 40838.10 | |
| Etomidate | 93140.23 | 100660.15 | 95814.90 | 94722.40 | |
| FADH2 (red) | 19127.95 | 18949.20 | 18401.30 | 18914.90 | |
| FAHFA(16:0/9-O-18:0) | 86137.75 | 80283.30 | 82484.60 | 83166.60 | |
| FAHFA(16:1(9Z)/9-O-18:0) | 58379.45 | 59839.80 | 75753.90 | 76851.70 | |
| FAHFA(18:1(9Z)/12-O-18:0) | 119476.01 | 109693.40 | 99987.40 | 104233.50 | |
| FAHFA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14-O-22:6(4Z,7Z,10Z,13Z,16... | 19953.12 | 26089.00 | 19172.50 | 19879.60 | |
| Famprofazone | 15848.47 | 17133.10 | 18264.50 | 18778.90 | |
| Farnesol | 5637.51 | 7351.90 | 6763.40 | 6103.70 | |
| Fasciculic acid A | 26774.70 | 34875.35 | 25993.70 | 27146.50 | |
| Fasciculol C | 88611.36 | 145970.85 | 53912.00 | 54922.60 | |
| Fenuron | 26094.08 | 30926.45 | 25438.80 | 24229.60 | |
| Fertaric acid | 15156.70 | 14929.05 | 13424.90 | 13677.40 | |
| Flavidulol D | 12816.90 | 20630.85 | 7613.10 | 7701.00 | |
| Floribundoside | 27420.26 | 24582.50 | 34616.10 | 29532.30 | |
| Fludarabine | 14670.61 | 12201.40 | 11345.20 | 11358.00 | |
| Fluorouracil (FU) | 14015.83 | 13679.15 | 13296.70 | 13259.10 | |
| Fomepizole | 1435.58 | 1489.05 | 1277.30 | 1330.00 | |
| Formimino-Glu | 30166.84 | 25177.30 | 29628.00 | 29942.50 | |
| Formyl-Asp | 7391.40 | 7521.05 | 6412.40 | 6671.70 | |
| Fumarate | 104531.42 | 73935.50 | 75334.50 | 79639.70 | |
| Furfural | 35069.67 | 33223.20 | 27964.10 | 27340.50 | |
| Furocoumarinic acid glucoside | 25833.07 | 24392.00 | 22798.40 | 22882.40 | |
| Furoic acid | 219742.41 | 200511.50 | 254631.50 | 245228.50 | |
| Furosemide | 13388.30 | 12436.90 | 11875.50 | 11970.30 | |
| Galactaric acid | 167428.03 | 163142.40 | 129278.60 | 125690.00 | |
| Galactosyl 4-hydroxyproline | 58622.54 | 59207.10 | 58302.90 | 62344.40 | |
| Galactosylhydroxylysine | 41156.90 | 40293.40 | 51896.50 | 53040.30 | |
| Gallic acid | 30248.69 | 28719.65 | 35586.70 | 34830.10 | |
| gamma-Glutamyl-beta-aminopropiononitrile | 25730.53 | 26928.80 | 25813.40 | 23780.90 | |
| Gamma-glutamyl-L-putrescine | 45189.97 | 44567.75 | 112250.20 | 105299.10 | |
| gamma-Glutamylphenylalanine | 50574.64 | 42992.25 | 57772.20 | 53154.30 | |
| gamma-Glutamyltryptophan | 28840.60 | 27475.15 | 31111.70 | 31917.10 | |
| gamma-L-Glutamyl-L-pipecolic acid | 60187.00 | 59768.25 | 70726.50 | 70505.30 | |
| Ganoderic acid alpha | 64357.98 | 69299.00 | 79462.30 | 79529.20 | |
| Ganoderiol C | 337025.40 | 497101.75 | 128820.10 | 128780.00 | |
| Ganoderiol H | 190871.12 | 282159.50 | 81611.90 | 81889.80 | |
| Ganodermic acid TQ | 62467.75 | 60325.85 | 67787.20 | 70005.30 | |
| Gemfibrozil | 50951.75 | 55820.50 | 62400.60 | 61704.30 | |
| Gentisic acid | 114831.05 | 114086.60 | 116357.30 | 116878.40 | |
| Geosmin | 8132.62 | 8065.55 | 10530.60 | 11328.70 | |
| Geranyl 3-methylbutanoate | 27344.88 | 28799.70 | 40627.80 | 40216.70 | |
| Geranyl acetoacetate | 55300.42 | 58490.65 | 56149.30 | 52561.90 | |
| Geranylacetone | 6823.07 | 7884.25 | 11082.60 | 9989.40 | |
| Gibberellin A110 | 86739.97 | 73252.20 | 118275.40 | 118946.00 | |
| Gibberellin A58 | 58764.69 | 57099.40 | 68560.20 | 68528.70 | |
| Gibberellin A59 | 86094.05 | 73945.00 | 73387.90 | 73853.20 | |
| Gibberellin A93 | 40503.49 | 37312.70 | 36681.20 | 36580.60 | |
| Gingerol | 164046.92 | 178308.25 | 144850.70 | 155776.80 | |
| Ginsenoyne M | 45072.66 | 54600.15 | 33070.80 | 33806.20 | |
| Glabrin D | 25266.42 | 26065.45 | 33364.40 | 35921.30 | |
| Glaucarubolone 15-O-beta-D-glucopyranoside | 29446.49 | 30803.45 | 31901.80 | 32476.80 | |
| Gliclazide | 41632.71 | 19634.45 | 19289.90 | 19471.90 | |
| Glucono-lactone | 60473.02 | 53246.55 | 41437.10 | 42072.70 | |
| Glucosylceramide (d18:1/18:0) | 21257.27 | 20527.90 | 20052.10 | 20597.10 | |
| Glutamate | 829908.49 | 787500.05 | 810911.10 | 830255.10 | |
| Glutamine | 1272854.28 | 1230546.50 | 1083349.10 | 1059705.90 | |
| Glutaminylthreonine | 53338.64 | 52121.10 | 39377.00 | 39386.40 | |
| Glutarate | 158749.22 | 146287.10 | 129595.40 | 128810.60 | |
| Glutathione | 44662.50 | 44104.10 | 48837.20 | 49595.50 | |
| Glycerol | 6174.42 | 6201.95 | 8654.50 | 8977.20 | |
| Glycerol 3-phosphate | 35691.75 | 36626.45 | 100162.70 | 107818.70 | |
| Glycerol tribenzoate | 20071.59 | 19628.70 | 17767.20 | 17775.00 | |
| Glycerol tributanoate | 292929.92 | 299609.55 | 432880.00 | 406297.10 | |
| Glycerol triheptadecanoate | 16783.58 | 15338.30 | 17789.30 | 18510.60 | |
| Glycerol trihexanoate | 372565.12 | 388792.15 | 451004.50 | 469671.30 | |
| Glycerol trinonadecanoate | 20067.60 | 19366.80 | 16756.60 | 16846.20 | |
| Glycerol triundecanoate | 3878605.49 | 7976073.35 | 1414926.70 | 1417153.60 | |
| Glycerone sulfate | 13068.42 | 12628.10 | 10548.30 | 11740.20 | |
| Glyceryl lactooleate | 31524.28 | 40085.50 | 23760.00 | 24644.90 | |
| Glycerylphosphorylethanolamine | 69884.67 | 71603.30 | 123915.30 | 135322.40 | |
| Glycine | 43552.95 | 44646.05 | 40331.10 | 41016.40 | |
| Glycogen | 55875.92 | 55483.75 | 61358.70 | 62580.10 | |
| Glycolate | 17386.63 | 17543.05 | 13684.20 | 13457.30 | |
| Glycyl-Histidine | 67045.87 | 57249.90 | 43591.50 | 41701.60 | |
| Glycyl-Phenylalanine | 41092.30 | 40225.00 | 34916.40 | 34708.30 | |
| Glycylproline | 35580.77 | 35506.00 | 38888.50 | 37803.40 | |
| Glycylprolylhydroxyproline | 71897.06 | 67592.70 | 79604.70 | 81564.70 | |
| Gly-Leu | 461783.32 | 447414.35 | 1635539.80 | 1534731.40 | |
| Glyoxylic acid | 7033.41 | 5977.45 | 6701.70 | 6920.70 | |
| Glyphosate | 7679.75 | 7245.70 | 5442.70 | 5602.50 | |
| Gnemonol A | 24159.08 | 23058.90 | 19562.60 | 19422.90 | |
| Goitrin | 2769.69 | 2682.55 | 3591.30 | 2668.10 | |
| Gossypetin 8-glucoside 3-sulfate | 15241.19 | 15464.80 | 18726.40 | 19414.30 | |
| Graveolinine | 17381.36 | 15856.80 | 16073.30 | 15764.10 | |
| Guanine | 45076.77 | 43737.55 | 45685.50 | 45938.60 | |
| Guanosine | 272507.62 | 231762.80 | 218330.70 | 219302.10 | |
| Guanosine diphosphate adenosine | 24542.11 | 22603.10 | 19890.00 | 19633.10 | |
| Hallacridone | 44662.50 | 44104.10 | 48837.20 | 49595.50 | |
| Harmalan | 33512.81 | 31285.40 | 28647.00 | 29203.50 | |
| Harmaline | 27550.25 | 34639.95 | 28990.80 | 26239.00 | |
| Harmalol | 39341.13 | 48732.50 | 59906.00 | 54576.90 | |
| Hebevinoside VII | 18970.95 | 18213.40 | 17207.10 | 16946.80 | |
| Hematoporphyrin IX | 34292.91 | 41149.35 | 24386.00 | 24713.50 | |
| Hepoxilin A3 | 74573.29 | 73051.00 | 139421.50 | 137350.10 | |
| Heptabarbital | 17201.95 | 17045.15 | 18743.60 | 18425.20 | |
| Heptane-1-thiol | 400279.29 | 398479.85 | 341098.00 | 341740.80 | |
| Heptanone | 4107.03 | 3212.55 | 3419.10 | 3320.60 | |
| Hericene B | 29274.46 | 36680.70 | 34981.20 | 37764.80 | |
| hesperetin 3^^-O-sulfate | 15447.39 | 12022.50 | 11354.50 | 11721.60 | |
| Hexadecanedioic acid | 167935.04 | 153968.70 | 207809.60 | 206712.60 | |
| Hexanoic acid | 32485.35 | 35146.80 | 41384.60 | 39805.00 | |
| Hexobarbital | 63504.55 | 59009.35 | 55915.30 | 52515.10 | |
| Hexonic acid | 399264.53 | 339338.80 | 262830.10 | 272787.50 | |
| Hexose | 1763591.07 | 1551667.30 | 1188668.90 | 1226907.10 | |
| Hexose P | 267799.26 | 261665.80 | 473260.90 | 512391.60 | |
| Hexuronate | 60406.14 | 52433.95 | 51539.00 | 52808.70 | |
| Hexuronic acid; Ascorbate | 2098991.42 | 1411890.15 | 886778.10 | 934557.80 | |
| Hippurate | 498967.59 | 425980.05 | 337483.90 | 413729.10 | |
| Hirsutin | 24921.11 | 21718.90 | 23830.70 | 23657.80 | |
| Histamine | 33757.73 | 35772.20 | 29387.90 | 28789.60 | |
| Histidine | 1309435.87 | 1400789.70 | 967965.80 | 979152.50 | |
| Histidinol | 11191.86 | 11214.45 | 12142.20 | 11113.70 | |
| Histidinyl-Proline | 69252.46 | 67154.25 | 67528.10 | 67147.60 | |
| Homoaconitate | 33512.81 | 31285.40 | 28647.00 | 29203.50 | |
| Homoanserine | 64610.61 | 66293.85 | 58154.10 | 58121.90 | |
| Homoarecoline | 15691.65 | 14619.45 | 41523.60 | 36025.50 | |
| Homocysteinesulfinic acid | 47800.50 | 43332.15 | 81323.60 | 72908.00 | |
| Homocysteine thiolactone | 4567.18 | 4251.90 | 3899.90 | 3756.20 | |
| Homophytanic acid | 53349.95 | 54275.20 | 77644.00 | 78090.30 | |
| Homoserine lactone | 13264.23 | 13597.50 | 12334.90 | 12578.40 | |
| Homovanillic acid | 111438.05 | 98747.10 | 98090.20 | 100108.70 | |
| Homoveratric acid | 209508.52 | 170607.55 | 218867.30 | 219300.20 | |
| Hordatine B | 73149.88 | 77072.20 | 199470.50 | 206261.20 | |
| Hydantoin-5-propionic acid | 25123.09 | 24122.95 | 19262.20 | 19167.10 | |
| Hydralazine acetone hydrazone | 61152.01 | 58784.55 | 101462.20 | 95462.80 | |
| Hydrochlorothiazide | 15867.11 | 10614.85 | 10428.80 | 10879.40 | |
| Hydrocinnamic acid | 174870.92 | 193085.20 | 197394.10 | 218612.90 | |
| Hydrocortamate | 99190.27 | 95081.90 | 92714.30 | 92887.20 | |
| Hydroxyadipate | 344239.94 | 322152.95 | 292627.70 | 290251.50 | |
| Hydroxyanigorufone | 23466.67 | 22260.15 | 24095.50 | 24023.20 | |
| Hydroxybutanoic acid | 351800.55 | 289832.20 | 235154.20 | 224994.80 | |
| Hydroxybutynal | 13567.35 | 12909.50 | 10288.90 | 10411.40 | |
| Hydroxyethylpromethazine | 29263.54 | 28126.75 | 23203.90 | 22908.10 | |
| Hydroxyglutarate | 191440.76 | 183538.15 | 223762.70 | 226690.40 | |
| Hydroxyphenylacetylglycine | 34453.46 | 33320.00 | 28731.20 | 28484.90 | |
| Hydroxyprolyl-Valine | 42593.52 | 42249.20 | 79604.50 | 76578.50 | |
| Hydroxypropionylcarnitine | 15310.93 | 15524.80 | 22245.80 | 21667.10 | |
| Hydroxypropyl methyl cellulose | 27028.93 | 27564.90 | 24530.30 | 25421.00 | |
| Hydroxypyridine | 83285.99 | 79449.35 | 42188.10 | 42113.10 | |
| Hydroxypyruvate | 10888.78 | 11653.55 | 8358.10 | 7967.80 | |
| Hydroxytyrosol | 24716.42 | 21942.30 | 20837.50 | 19907.70 | |
| Hydroxy-valine | 35845.10 | 33676.75 | 26810.90 | 26262.60 | |
| Hypericin | 12000.03 | 11472.55 | 11321.60 | 11249.40 | |
| Hypogeic acid | 4295172.97 | 3523850.70 | 4560127.60 | 4156479.50 | |
| Hypoxanthine | 995712.21 | 961797.00 | 653451.30 | 588070.50 | |
| I(-) | 145414.89 | 169075.10 | 91079.50 | 92802.10 | |
| Ibuprofen | 23511.61 | 23896.45 | 23484.60 | 25119.70 | |
| Imipenem | 17381.36 | 15856.80 | 16073.30 | 15764.10 | |
| Indan-1-ol | 45256.91 | 32577.80 | 24142.50 | 24460.10 | |
| Indolelactic acid | 109472.79 | 104619.75 | 137486.30 | 143425.80 | |
| Indomethacin acyl glucuronide | 10174.16 | 10326.85 | 11787.70 | 12307.80 | |
| Indospicine | 22418.83 | 22883.00 | 40491.30 | 38785.30 | |
| Indoxyl sulfate | 612817.23 | 513798.80 | 1306576.60 | 1505110.40 | |
| Inositol 1,3,4-trisphosphate | 10780.55 | 10487.85 | 10257.10 | 10038.50 | |
| Inositol cyclic phosphate | 130795.06 | 124132.35 | 109263.60 | 110813.60 | |
| Inositol-P-ceramide | 21133.28 | 22982.05 | 17504.60 | 17249.90 | |
| Ipomeatetrahydrofuran | 67992.08 | 72622.30 | 67601.00 | 64853.60 | |
| Irbesartan | 64675.79 | 58684.30 | 48787.50 | 47529.90 | |
| Isobutyryl-L-carnitine | 25504.88 | 24724.35 | 36074.40 | 36203.40 | |
| Isocarboxazid | 73550.71 | 65390.95 | 61078.10 | 61496.50 | |
| Isocarlinoside | 18512.97 | 18730.40 | 15856.20 | 15743.40 | |
| (Iso)Citrate | 2322540.10 | 2099779.75 | 2779346.90 | 2688761.40 | |
| Isoelemicin | 25982.25 | 19149.75 | 25233.20 | 23635.00 | |
| Isofucosterol glucoside | 29126.34 | 40200.95 | 25519.10 | 27212.40 | |
| (Iso)Leucine | 4063963.47 | 4068082.75 | 3252279.20 | 3195449.90 | |
| Isoleucyl-Isoleucine | 390303.50 | 393178.80 | 412922.10 | 408193.10 | |
| Isoleucylproline | 599103.28 | 600566.45 | 600433.90 | 599407.30 | |
| Isoleucyl-Tryptophan | 26270.14 | 25821.30 | 25169.10 | 24539.10 | |
| Isoleucyl-Tyrosine | 98572.89 | 98414.50 | 103384.50 | 102230.10 | |
| Isoleucyl-Valine | 989783.13 | 988649.75 | 1081938.60 | 1069382.50 | |
| Isomelitric acid A | 18919.92 | 16344.65 | 14247.80 | 14435.60 | |
| Isopentyl mercaptan | 28862.02 | 24773.35 | 20882.50 | 20295.80 | |
| Isophorone | 14511.05 | 16326.70 | 18933.20 | 17526.40 | |
| Isopimpinellin | 96357.16 | 89261.05 | 102123.70 | 104644.60 | |
| Isopropyl beta-D-glucoside | 32007.32 | 33312.75 | 46045.80 | 42310.10 | |
| Isopropylmaleate | 29305.25 | 27068.35 | 48538.50 | 45386.60 | |
| Isorhamnetin | 23528.26 | 22599.70 | 23801.50 | 23754.90 | |
| Isosyringinoside | 34374.20 | 30122.70 | 29816.10 | 30185.00 | |
| Isovalerylglutamic acid | 35465.55 | 33001.55 | 33200.20 | 32961.90 | |
| Isradipine | 21836.82 | 21839.10 | 19692.60 | 19141.30 | |
| Itaconate | 107780.49 | 105366.10 | 115029.90 | 111128.60 | |
| Janthitrem E | 46527.80 | 50420.10 | 65482.10 | 65890.50 | |
| Jasmonic acid | 44907.92 | 42386.90 | 81805.30 | 75884.60 | |
| Karpoxanthin | 16400.46 | 20337.10 | 13577.90 | 14104.30 | |
| keratan sulfate I | 160115.65 | 190808.30 | 133591.70 | 132044.30 | |
| Ketovaline | 89858.60 | 85032.95 | 66163.70 | 66273.10 | |
| Kinetin | 18700.90 | 17375.10 | 15829.60 | 15009.60 | |
| Kynurenic acid | 76701.49 | 67897.60 | 44574.80 | 44713.50 | |
| L-2-Amino-4-methylenepentanedioic acid | 25361.94 | 25483.55 | 24934.20 | 24914.00 | |
| Labienoxime | 2980.86 | 3298.35 | 3799.80 | 3633.00 | |
| Laccaic acid D | 19958.17 | 18987.30 | 21136.00 | 20563.80 | |
| Laccarin | 20118.57 | 20741.85 | 51571.90 | 45779.70 | |
| L-Acetylcarnitine | 48821.10 | 46430.30 | 127654.30 | 118049.80 | |
| Lactapiperanol C | 48400.87 | 46531.55 | 60190.80 | 60431.10 | |
| Lactapiperanol D | 62450.42 | 68058.05 | 67283.90 | 69305.70 | |
| Lactate | 2802536.94 | 2713626.40 | 4462923.60 | 4899144.10 | |
| L-Adrenaline | 17180.00 | 15805.05 | 17730.50 | 16722.90 | |
| L-Agaridoxin | 39348.53 | 36263.40 | 48048.20 | 46587.70 | |
| Lamivudine sulfoxide | 51505.75 | 47160.70 | 41233.10 | 44177.20 | |
| Lansimide 2 | 29034.60 | 31176.05 | 24958.30 | 24820.40 | |
| Lansine | 20094.69 | 20663.20 | 20161.20 | 21084.40 | |
| Lansioside A | 15504.42 | 21203.70 | 12865.00 | 12450.30 | |
| Lanthionine ketimine | 113925.54 | 134560.90 | 110519.60 | 108474.20 | |
| L-argininium(1+) | 4888.36 | 5052.25 | 5312.30 | 5203.30 | |
| L-beta-aspartyl-L-leucine | 95730.21 | 94305.75 | 109985.20 | 110260.40 | |
| L-beta-aspartyl-L-threonine | 39348.53 | 36263.40 | 48048.20 | 46587.70 | |
| L-Citronellol glucoside | 73045.27 | 70359.70 | 108436.50 | 107831.80 | |
| L-Cystine | 267799.26 | 261665.80 | 473260.90 | 512391.60 | |
| Lenticin | 37114.91 | 36717.20 | 50415.00 | 48296.40 | |
| Lercanidipine | 20469.15 | 21374.60 | 20808.80 | 21018.10 | |
| Leukotriene A4 | 80725.70 | 77366.75 | 205265.10 | 204299.40 | |
| Leu-Leu-Leu | 23857.43 | 26101.35 | 24995.60 | 24571.40 | |
| Levamisole | 106226.19 | 99327.80 | 95653.70 | 97878.40 | |
| Levetiracetam | 30037.97 | 30141.00 | 37838.80 | 36421.20 | |
| Levosimendan | 45174.40 | 41082.10 | 49551.80 | 50634.40 | |
| Licoricesaponin A3 | 22414.17 | 21581.85 | 19139.80 | 19461.50 | |
| Licoricesaponin F3 | 24171.85 | 24571.50 | 20689.10 | 20193.80 | |
| Limocitrin | 15156.70 | 14929.05 | 13424.90 | 13677.40 | |
| Linocinnamarin | 86094.05 | 73945.00 | 73387.90 | 73853.20 | |
| Linoleoyl ethanolamide | 10058.61 | 9549.40 | 12340.30 | 13029.90 | |
| Lipoamide | 17693.57 | 17571.15 | 15976.30 | 16663.30 | |
| Lithocholate 3-O-glucuronide | 36227.28 | 39359.00 | 33848.70 | 35103.10 | |
| L,L-Cyclo(leucylprolyl) | 64434.80 | 63786.65 | 77398.30 | 74521.60 | |
| L-Menthone 1,2-glycerol ketal | 33348.84 | 32676.00 | 23635.00 | 21991.90 | |
| Loquatifolin A | 31630.61 | 30854.80 | 34083.30 | 34602.50 | |
| Lornoxicam | 11788.08 | 12133.35 | 8787.90 | 8975.80 | |
| LPA(0:0/16:0) | 147982.02 | 150834.45 | 211541.40 | 204226.60 | |
| LPA(0:0/18:1(9Z)) | 133041.70 | 139191.75 | 184569.00 | 180759.90 | |
| LPA(24:1(15Z)/0:0) | 34193.38 | 48848.75 | 23178.30 | 23701.70 | |
| L-prolyl-L-proline | 29881.44 | 30589.30 | 27827.80 | 27447.00 | |
| Lucidenic acid L | 33959.55 | 36662.35 | 34105.50 | 34277.70 | |
| L-Urobilinogen | 30847.65 | 28131.60 | 19491.20 | 19611.30 | |
| Luteolinidin 3-O-glucoside | 19692.47 | 18701.40 | 17204.00 | 17327.30 | |
| Lyciumin B | 20164.90 | 19444.25 | 24742.10 | 25816.60 | |
| Lysine | 1847693.59 | 1862690.15 | 2167696.70 | 2204163.80 | |
| LysoPC(14:0) | 66081.50 | 68887.70 | 101252.30 | 108536.40 | |
| LysoPC(18:0) | 29879.31 | 35539.35 | 59682.90 | 60732.60 | |
| LysoPC(18:3(6Z,9Z,12Z)) | 43618.75 | 47432.50 | 54165.60 | 52802.40 | |
| LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 26056.05 | 26778.85 | 53476.40 | 53292.70 | |
| LysoPE(0:0/16:0) | 240819.95 | 243153.25 | 664349.40 | 717329.80 | |
| LysoPE(0:0/20:0) | 651731.55 | 669969.70 | 2164255.00 | 2379068.20 | |
| LysoPE(0:0/20:1(11Z)) | 471296.60 | 536595.50 | 984268.60 | 1016566.50 | |
| LysoPE(0:0/20:2(11Z,14Z)) | 800761.72 | 961217.40 | 2444374.30 | 2583167.40 | |
| LysoPE(0:0/20:4(5Z,8Z,11Z,14Z)) | 394609.89 | 379626.85 | 1563074.00 | 1755372.20 | |
| LysoPE(0:0/22:4(7Z,10Z,13Z,16Z)) | 203866.41 | 213324.25 | 664152.10 | 684149.20 | |
| LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 299877.89 | 277758.60 | 1212777.70 | 1326352.10 | |
| LysoPE(0:0/24:0) | 16542.24 | 20233.95 | 12966.80 | 13197.00 | |
| LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)) | 75760.35 | 77481.00 | 266033.40 | 269710.40 | |
| Lysyl-Phenylalanine | 43168.65 | 43838.00 | 45523.20 | 44975.00 | |
| Lysyl-Proline | 42289.86 | 41668.20 | 43203.90 | 42418.50 | |
| Lysyl-Tyrosine | 40786.58 | 41830.45 | 49412.10 | 50275.20 | |
| Lysyl-Valine | 176860.45 | 178109.90 | 192636.90 | 188927.60 | |
| Maclurin 3-C-(2^^^^-galloyl-6^^^^-p-hydroxybenzoyl-glucoside... | 17538.36 | 17982.45 | 15211.40 | 15423.60 | |
| Majonoside R2 | 18332.89 | 19762.05 | 14575.70 | 14564.60 | |
| Malate | 319560.97 | 198139.00 | 316683.70 | 328390.40 | |
| Malonylcarnitine | 37790.78 | 35235.45 | 39557.20 | 39258.50 | |
| Maltohexaose | 33492.73 | 31680.30 | 31673.20 | 32031.00 | |
| Malvidin 3-(6-malonylglucoside) 5-glucoside | 19190.19 | 18059.05 | 17001.30 | 16628.80 | |
| Marimastat | 76137.09 | 76023.00 | 106463.90 | 102833.60 | |
| (-)-Matairesinol 4^^-[apiosyl-(1->2)-glucoside] | 27423.97 | 26176.85 | 27440.40 | 28924.80 | |
| Matsutakeside I | 25675.33 | 25194.15 | 25717.90 | 25200.90 | |
| Maysin | 16640.28 | 15581.50 | 14110.60 | 14799.80 | |
| Mecarbam | 57090.19 | 54445.30 | 52996.70 | 53490.70 | |
| Medicagenic acid | 111232.78 | 132906.55 | 170852.30 | 184048.20 | |
| Medicarpin 3-O-(6^^-malonylglucoside) | 19716.33 | 21393.70 | 17197.70 | 17011.40 | |
| Mefenamic acid | 127428.23 | 57773.20 | 40198.80 | 40990.90 | |
| Melatonin | 23148.34 | 23016.30 | 52797.90 | 50060.70 | |
| Menadiol dibutyrate | 52853.63 | 48786.70 | 36393.80 | 36587.40 | |
| Menthol | 3332.88 | 3711.20 | 3663.70 | 3785.70 | |
| Menthol propylene glycol carbonate | 80990.14 | 96644.75 | 111610.90 | 112509.10 | |
| Meprobamate | 266175.48 | 259113.35 | 367441.40 | 352503.30 | |
| Mercaptopyruvic acid | 38147.60 | 35956.40 | 30031.70 | 29801.50 | |
| Mesobilirubinogen | 90094.14 | 80620.60 | 63153.90 | 63924.20 | |
| Metaxalone | 15017.31 | 14863.05 | 13727.80 | 13623.50 | |
| Methanedithiol | 14714.55 | 14119.80 | 12460.00 | 12358.60 | |
| Metharbital | 36301.25 | 34983.20 | 23054.50 | 22608.30 | |
| Methionine | 169336.77 | 168170.25 | 203027.80 | 210055.00 | |
| Methionyl-Threonine | 31377.22 | 30869.75 | 38060.00 | 36054.00 | |
| Methionyl-Tryptophan | 39199.97 | 36063.45 | 35827.60 | 36267.60 | |
| Methionyl-Valine | 135722.07 | 128829.65 | 262493.30 | 242411.90 | |
| Methomyl | 32768.77 | 28717.15 | 29797.00 | 29964.70 | |
| Methotrimeprazine | 50816.97 | 47034.80 | 40874.80 | 41350.40 | |
| Methoxamine | 10063.18 | 9796.15 | 14898.10 | 13788.40 | |
| Methyl-[10]-shogaol | 91238.10 | 98869.85 | 213167.80 | 222023.50 | |
| Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate | 89654.42 | 80338.75 | 83430.20 | 79176.40 | |
| Methyl 3,4-dicaffeoylquinate | 19015.04 | 17206.00 | 15262.00 | 15405.80 | |
| Methyl 5-(1-Propynyl)-2-thiophenepropanoate | 49788.32 | 45186.60 | 43065.90 | 43997.30 | |
| Methyl acrylate-divinylbenzene, completely hydrolyzed, copol... | 21669.37 | 21406.05 | 17422.60 | 17243.50 | |
| Methyl beta-naphthyl ketone | 33979.11 | 30614.65 | 26411.70 | 26937.30 | |
| Methyl dihydrojasmonate | 24907.15 | 24537.80 | 28958.60 | 28949.20 | |
| Methylgingerol | 84999.45 | 98931.30 | 69057.00 | 69202.80 | |
| Methylguanine | 26718.79 | 29765.70 | 21456.70 | 20921.60 | |
| Methyl-His | 74615.70 | 70589.25 | 67475.80 | 64974.50 | |
| Methyl-Lys | 43888.51 | 37639.70 | 38388.40 | 38790.80 | |
| Methylphosphate | 6756.78 | 6222.30 | 4521.50 | 4564.80 | |
| Methyl propenyl ketone | 6074.35 | 5788.55 | 9907.20 | 8650.30 | |
| Methylpyrazine | 122540.31 | 110338.55 | 109123.40 | 108797.80 | |
| Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate glucoside | 35053.08 | 48536.25 | 31588.50 | 31032.00 | |
| Methylthioglycolic acid | 2214.06 | 2225.00 | 4900.40 | 4102.00 | |
| Met-oxide | 41941.32 | 41131.05 | 44240.40 | 44852.80 | |
| Metronidazole | 14971.75 | 13231.15 | 11379.20 | 11478.80 | |
| Mevalonate | 85168.06 | 78849.60 | 81469.50 | 83166.00 | |
| Mexiletine | 4631.08 | 3258.25 | 3730.00 | 3830.00 | |
| MG(0:0/14:0/0:0) | 41589.81 | 36171.60 | 67974.90 | 69107.30 | |
| MG(0:0/14:1(9Z)/0:0) | 61331.76 | 62473.20 | 57563.30 | 55113.90 | |
| MG(0:0/15:0/0:0) | 314234.02 | 480367.85 | 296970.30 | 316762.50 | |
| MG(0:0/18:0/0:0) | 31669.74 | 31983.10 | 30415.40 | 31933.00 | |
| MG(0:0/18:2(9Z,12Z)/0:0) | 38716.37 | 52864.40 | 24757.80 | 26020.30 | |
| MG(0:0/20:1(11Z)/0:0) | 23161.19 | 28990.10 | 20405.40 | 22574.30 | |
| MG(0:0/20:2(11Z,14Z)/0:0) | 14634.59 | 18815.35 | 11094.50 | 10973.00 | |
| MG(0:0/20:3(11Z,14Z,17Z)/0:0) | 28273.55 | 41930.45 | 18301.70 | 18860.30 | |
| MG(0:0/20:4(8Z,11Z,14Z,17Z)/0:0) | 77111.47 | 96290.60 | 147847.30 | 170913.40 | |
| MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) | 81730.00 | 93683.20 | 90461.10 | 99273.00 | |
| MG(0:0/22:4(7Z,10Z,13Z,16Z)/0:0) | 89737.81 | 129976.65 | 96971.00 | 108498.00 | |
| MG(0:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) | 46213.64 | 63234.75 | 43262.90 | 45368.40 | |
| MG(22:1(13Z)/0:0/0:0) | 57548.08 | 108207.20 | 33777.90 | 34747.60 | |
| Milrinone | 20608.42 | 19764.45 | 16404.90 | 15762.50 | |
| Miltirone | 40788.02 | 37430.10 | 44801.00 | 45084.20 | |
| Mimosine | 12005.04 | 11182.05 | 9505.40 | 10100.70 | |
| Momorcharaside A | 18970.95 | 18213.40 | 17207.10 | 16946.80 | |
| Monoiodothyronine | 23553.92 | 23919.05 | 17008.90 | 17185.80 | |
| Monoisobutyl phthalic acid | 41927.89 | 38610.25 | 40487.70 | 41763.50 | |
| Mono-trans-p-coumaroylmesotartaric acid | 51908.02 | 62558.65 | 47724.50 | 49392.50 | |
| Montelukast | 27945.06 | 25350.35 | 24086.30 | 23935.30 | |
| Moreollin | 20469.15 | 21374.60 | 20808.80 | 21018.10 | |
| Moxifloxacin | 20162.44 | 18255.95 | 19869.10 | 19615.50 | |
| Mucronine D | 28117.99 | 31230.45 | 32520.90 | 36802.00 | |
| Mulberrofuran M | 25905.15 | 23688.90 | 24258.10 | 24072.00 | |
| Mulberrofuran P | 15705.39 | 15412.00 | 15473.00 | 15352.50 | |
| Myricetin 3-(6-acetylgalactoside) | 13310.38 | 13534.80 | 13196.90 | 13559.20 | |
| Myristoylglycine | 21724.47 | 20566.00 | 18026.30 | 18279.50 | |
| Myrtine | 2522.00 | 2883.10 | 2974.20 | 2797.20 | |
| N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxa... | 50816.97 | 47034.80 | 40874.80 | 41350.40 | |
| N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole | 35445.33 | 33612.20 | 43409.90 | 44704.10 | |
| N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole | 60187.00 | 59768.25 | 70726.50 | 70505.30 | |
| N-(1-Deoxy-1-fructosyl)glycine | 18879.31 | 18705.05 | 23826.20 | 21831.70 | |
| N-(1-Deoxy-1-fructosyl)leucine | 34807.76 | 33400.15 | 31263.40 | 31674.00 | |
| N-(1-Deoxy-1-fructosyl)phenylalanine | 46091.56 | 39292.80 | 33750.70 | 34169.40 | |
| N-(1-Deoxy-1-fructosyl)threonine | 45174.40 | 41082.10 | 49551.80 | 50634.40 | |
| N-(1-Deoxy-1-fructosyl)valine | 29865.33 | 28662.45 | 30796.40 | 30948.50 | |
| N1,N8-Diacetylspermidine | 34138.17 | 30012.35 | 45107.40 | 43070.50 | |
| N-(2R-Hydroxydocosanoyl)-2S-amino-1,3S,4R-octadecanetriol | 44235.12 | 43282.45 | 27768.20 | 28009.20 | |
| N-(2R-Hydroxyhexacosanoyl)-2S-amino-1,3S,4R-octadecanetriol | 29538.31 | 28517.15 | 21084.20 | 21122.10 | |
| N-(2R-Hydroxypentacosanoyl)-2S-amino-1,3S,4R-octadecanetriol | 27476.10 | 26522.15 | 17373.00 | 17509.10 | |
| N-(2R-Hydroxytricosanoyl)-2S-amino-1,3S,4R-octadecanetriol | 34513.87 | 32386.40 | 25866.40 | 26866.60 | |
| N2-Succinyl-L-ornithine | 44729.16 | 41492.20 | 38593.90 | 38524.50 | |
| N-(3-acetamidopropyl)pyrrolidin-2-one | 19780.18 | 19416.10 | 19433.30 | 18567.20 | |
| N4-Acetylcytidine | 18152.08 | 16917.15 | 23961.00 | 23291.20 | |
| N4-Acetylsulfamethoxazole | 437340.24 | 163540.00 | 163600.10 | 163403.00 | |
| N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamid... | 11030.79 | 10798.45 | 9759.60 | 9759.30 | |
| N-(4-hydroxyphenyl)ethoxycarbothioamide | 14544.03 | 12814.30 | 11496.30 | 11496.00 | |
| N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine | 32293.65 | 32280.85 | 31094.70 | 31360.30 | |
| N-a-Acetylcitrulline | 58288.37 | 50085.60 | 77670.00 | 75152.00 | |
| N-Acetyl-2,3-dihydro-1H-pyrrole | 5497.42 | 5266.50 | 4620.10 | 4191.50 | |
| N-Acetylgalactosamine | 21687.48 | 20844.60 | 22041.90 | 22258.50 | |
| N-Acetylhistamine | 8045.46 | 8683.20 | 8513.20 | 8646.70 | |
| N-Acetylimidazole | 41359.84 | 43310.05 | 41341.10 | 38354.80 | |
| N-Acetylneuraminic acid | 69395.89 | 67099.80 | 68184.90 | 69706.20 | |
| N-Acetyl-S-(N-methylcarbamoyl)cysteine | 132802.90 | 99344.00 | 91431.00 | 91403.50 | |
| N-Acetylvanilalanine | 24921.11 | 21718.90 | 23830.70 | 23657.80 | |
| NADH (red) | 10350.02 | 10368.50 | 9105.50 | 9379.20 | |
| NAD (ox) | 10483.37 | 10375.60 | 9317.70 | 9640.00 | |
| Nateglinide | 124665.27 | 107690.90 | 131877.90 | 130117.40 | |
| N-Carbamoyl-2-amino-2-(4-hydroxyphenyl)acetic acid | 51367.89 | 47320.15 | 33209.90 | 32818.20 | |
| N-Cyclohexylformamide | 2721.31 | 2761.60 | 2536.60 | 2570.60 | |
| N-Deschlorobenzoyl indomethacin | 22012.32 | 20108.60 | 17592.80 | 17292.30 | |
| Neoporrigenin B | 49954.18 | 60491.80 | 88907.10 | 84373.70 | |
| N-Formiminoglycine | 37195.93 | 36362.60 | 29161.90 | 27777.60 | |
| N-Heptanoylglycine | 21370.91 | 20653.70 | 31609.50 | 29404.10 | |
| Nicotinate | 64155.79 | 61551.20 | 48340.40 | 46269.20 | |
| [Nitrilotris(methylene)]trisphosphonic acid | 9541.80 | 9154.80 | 11367.30 | 11462.10 | |
| Nitrofurazone | 16570.88 | 20769.25 | 14106.90 | 13405.50 | |
| Nitrosonornicotine | 14078.57 | 13534.40 | 11604.10 | 11516.90 | |
| Nitrosopiperidine | 8099.04 | 7871.85 | 9690.00 | 8854.30 | |
| Nivalenol | 28840.60 | 27475.15 | 31111.70 | 31917.10 | |
| Nizatidine | 64256.01 | 62246.30 | 65304.00 | 66823.10 | |
| N-Methoxy-1-vinyl-beta-carboline | 13914.47 | 14203.25 | 23503.30 | 22827.80 | |
| N-Methoxyspirobrassinol methyl ether | 77988.74 | 38625.60 | 39049.70 | 39566.40 | |
| N-Methyl-14-O-demethylepiporphyroxine | 25422.55 | 25106.05 | 22451.90 | 22236.60 | |
| N-Methylcalystegine C1 | 135306.88 | 141916.05 | 201940.00 | 195667.50 | |
| N-Methylschinifoline | 32593.63 | 30599.45 | 24125.10 | 23165.80 | |
| Nnal-N-oxide | 27778.35 | 29165.55 | 33009.40 | 31115.40 | |
| N-Oleoylethanolamine | 13416.15 | 12016.10 | 12963.50 | 12372.10 | |
| Nonadeca-10(Z)-enoic acid | 153399.42 | 125224.00 | 130796.90 | 131260.30 | |
| Nonoxynol-9 | 17696.54 | 17964.10 | 18587.50 | 19593.40 | |
| Nootkatol | 8427.01 | 9467.40 | 8839.20 | 8618.50 | |
| (-)-Nopol | 10132.78 | 11943.75 | 16715.70 | 15778.30 | |
| Norsanguinarine | 11022.84 | 10244.90 | 21506.50 | 25057.40 | |
| N-Palmitoyl phenylalanine | 8040.54 | 7767.20 | 11091.30 | 11182.10 | |
| N-Phenylacetylphenylalanine | 106159.27 | 109724.90 | 104195.20 | 101148.40 | |
| N-Propionylmethionine | 20094.69 | 20663.20 | 20161.20 | 21084.40 | |
| N-Succinyl-2-amino-6-ketopimelate | 17774.63 | 17139.85 | 17819.40 | 18409.90 | |
| N-Undecanoylglycine | 42270.66 | 48483.05 | 48888.30 | 48346.20 | |
| N-Undecylbenzenesulfonic acid | 605860.31 | 566112.10 | 528422.30 | 522162.20 | |
| Octadecanedioic acid | 463353.35 | 497407.65 | 608895.30 | 682041.90 | |
| Octanoic acid | 191596.39 | 94122.10 | 95513.30 | 92974.50 | |
| Octyl gallate | 123108.75 | 121820.95 | 133838.80 | 131083.20 | |
| Oenanthic ether | 60999.32 | 62522.35 | 182793.90 | 168037.90 | |
| Olmesartan | 57731.10 | 64438.35 | 43044.10 | 43178.70 | |
| O-methoxycatechol-O-sulphate | 307419.61 | 290244.75 | 108141.90 | 106095.80 | |
| Ophthalmic acid | 32792.01 | 32583.85 | 32028.20 | 32150.60 | |
| OR-1896 | 34232.52 | 31360.95 | 27932.00 | 27773.90 | |
| Orcinol | 52742.39 | 50622.95 | 29446.60 | 29810.60 | |
| Ornithine | 860639.08 | 846734.95 | 775947.20 | 797060.30 | |
| Orthoperiodic acid | 5830.14 | 5565.65 | 5176.30 | 5176.90 | |
| Oryzanol C | 33683.91 | 45163.15 | 25471.00 | 25810.40 | |
| Osmundalin | 58598.59 | 58216.05 | 55702.40 | 54999.80 | |
| Oxmetidine | 20190.60 | 19619.20 | 17135.10 | 17511.10 | |
| Oxoadipate | 26423.95 | 24289.65 | 36796.60 | 44645.70 | |
| Oxoglutarate | 41146.96 | 45735.50 | 34338.60 | 35660.00 | |
| Oxoproline | 1729905.57 | 1743014.75 | 1586297.00 | 1600312.10 | |
| Oxtriphylline | 109025.00 | 99008.55 | 103030.00 | 103711.60 | |
| Oxyacanthine | 30894.67 | 32242.30 | 26239.00 | 25335.00 | |
| Oxybuprocaine | 33199.54 | 35921.00 | 48084.60 | 48722.00 | |
| PA(14:0/18:3(6Z,9Z,12Z)) | 41390.29 | 38194.50 | 43281.50 | 50872.90 | |
| PA(14:0/18:4(6Z,9Z,12Z,15Z)) | 20387.34 | 20674.50 | 21870.40 | 25293.30 | |
| PA(14:0/20:3(5Z,8Z,11Z)) | 43337.63 | 42904.10 | 41448.10 | 49203.50 | |
| PA(14:0/20:5(5Z,8Z,11Z,14Z,17Z)) | 27535.25 | 25729.75 | 30627.00 | 39700.60 | |
| PA(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) | 26157.76 | 28240.75 | 25872.90 | 28355.70 | |
| PA(14:1(9Z)/22:2(13Z,16Z)) | 100357.37 | 100770.95 | 110068.60 | 107500.10 | |
| PA(15:0/20:2(11Z,14Z)) | 15817.07 | 16562.50 | 13436.10 | 13665.00 | |
| PA(16:0/14:1(9Z)) | 20387.34 | 20674.50 | 21870.40 | 25293.30 | |
| PA(16:0/18:2(9Z,12Z)) | 84372.85 | 83398.50 | 88151.50 | 86132.60 | |
| PA(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 21856.78 | 20709.10 | 22305.40 | 21491.90 | |
| PA(18:0/18:2(9Z,12Z)) | 75638.36 | 72397.60 | 85604.70 | 84009.70 | |
| PA(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 26138.88 | 28635.60 | 25456.20 | 25911.10 | |
| PA(20:0/24:1(15Z)) | 16295.18 | 15850.25 | 14120.70 | 14209.60 | |
| PA(20:0/a-25:0) | 30485.23 | 28290.85 | 28374.40 | 29051.50 | |
| PA(20:1(11Z)/15:0) | 16208.22 | 18248.65 | 12655.40 | 13170.60 | |
| PA(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 85738.50 | 77846.50 | 63508.70 | 63140.20 | |
| PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 79193.62 | 76756.55 | 74932.70 | 75688.00 | |
| PA(8:0/14:0) | 47049.05 | 49320.60 | 88836.60 | 95043.30 | |
| PA(8:0/16:0) | 210248.80 | 215369.25 | 307059.40 | 308453.50 | |
| PA(8:0/18:0) | 88264.09 | 89869.90 | 180408.40 | 194865.40 | |
| PA(8:0/a-13:0) | 95289.54 | 106485.20 | 92891.10 | 98064.20 | |
| Palmidin A | 19100.87 | 17768.15 | 20275.10 | 20758.50 | |
| Palmitaldehyde | 17844.94 | 16977.10 | 14022.30 | 13603.70 | |
| Pandamarilactam 3x | 32593.63 | 30599.45 | 24125.10 | 23165.80 | |
| p-Anisic acid | 139438.14 | 109787.00 | 134695.00 | 129940.40 | |
| Pantothenic acid | 287199.78 | 266240.85 | 778333.70 | 805999.80 | |
| Pantothenol | 13251.96 | 12958.85 | 14546.20 | 18127.60 | |
| Paracetamol sulfate | 356126.13 | 271563.60 | 228360.90 | 227883.40 | |
| PC(14:0/20:2(11Z,14Z)) | 88693.05 | 88668.90 | 96513.60 | 94829.80 | |
| PC(14:0/20:4(5Z,8Z,11Z,14Z)) | 81099.01 | 84372.80 | 124319.10 | 127893.30 | |
| PC(14:1(9Z)/15:0) | 14110.25 | 13968.05 | 11871.90 | 11908.40 | |
| PC(15:0/16:0) | 46142.37 | 41232.60 | 66865.60 | 66270.20 | |
| PC(15:0/16:1(9Z)) | 98262.08 | 86179.25 | 84732.80 | 84091.20 | |
| PC(15:0/18:2(9Z,12Z)) | 1714147.15 | 1696634.00 | 2597869.30 | 2629918.70 | |
| PC(15:0/20:2(11Z,14Z)) | 552199.79 | 531482.25 | 1057701.30 | 1105027.30 | |
| PC(15:0/20:4(5Z,8Z,11Z,14Z)) | 804018.96 | 720695.25 | 992768.70 | 975109.70 | |
| PC(15:0/20:5(5Z,8Z,11Z,14Z,17Z)) | 197242.58 | 176370.80 | 206022.70 | 202564.60 | |
| PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 340958.12 | 308278.80 | 544613.30 | 533515.50 | |
| PC(18:4(6Z,9Z,12Z,15Z)/P-16:0) | 176298.44 | 163884.45 | 272141.20 | 281583.70 | |
| PC(20:0/24:1(15Z)) | 16897.31 | 15902.35 | 13529.50 | 13431.10 | |
| PC(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)) | 20494.57 | 19128.30 | 20066.10 | 19904.90 | |
| PC(22:4(7Z,10Z,13Z,16Z)/24:0) | 16897.31 | 15902.35 | 13529.50 | 13431.10 | |
| PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 47336.19 | 44695.95 | 38459.30 | 35875.90 | |
| PC(24:0/P-18:1(11Z)) | 19401.43 | 17914.60 | 17013.60 | 17114.50 | |
| PC(DiMe(13,5)/MonoMe(13,5)) | 31418.93 | 28915.90 | 20447.00 | 20495.20 | |
| p-Chlorobenzene sulfonyl urea | 16522.46 | 13643.70 | 14060.50 | 13364.80 | |
| PC(o-16:0/18:0) | 18330.66 | 17608.00 | 15498.80 | 15624.40 | |
| PC(o-18:0/24:0) | 17640.36 | 16333.65 | 18861.00 | 18947.50 | |
| PC(P-18:0/P-18:1(11Z)) | 24233.74 | 23192.90 | 18938.80 | 19262.00 | |
| p-Cresol sulfate | 6214011.76 | 5527689.85 | 1874515.80 | 1875744.50 | |
| PE(14:0/15:0) | 14564.73 | 16482.30 | 13031.90 | 13447.90 | |
| PE(14:0/18:2(9Z,12Z)) | 11887.81 | 12343.25 | 10250.80 | 10729.10 | |
| PE(14:0/20:2(11Z,14Z)) | 116790.50 | 112343.10 | 141433.70 | 143502.30 | |
| PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 171992.43 | 146202.50 | 212265.40 | 206821.50 | |
| PE(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 54130.04 | 50723.90 | 78586.90 | 76625.40 | |
| PE(18:1(11Z)/P-18:1(11Z)) | 102369.77 | 104801.80 | 116671.60 | 124040.20 | |
| PE(18:3(6Z,9Z,12Z)/P-18:1(11Z)) | 172139.06 | 167969.80 | 311638.60 | 319927.30 | |
| PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z)) | 34003.43 | 33114.30 | 26463.20 | 26653.90 | |
| PE(20:0/24:0) | 21794.07 | 20266.25 | 25584.90 | 26279.50 | |
| PE(20:0/24:1(15Z)) | 20211.30 | 18847.10 | 17317.10 | 18509.60 | |
| PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z)) | 233878.79 | 241018.25 | 355773.50 | 361824.60 | |
| PE(22:4(7Z,10Z,13Z,16Z)/P-18:0) | 680171.17 | 607869.60 | 742684.10 | 746397.80 | |
| PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)) | 77624.45 | 72336.50 | 164603.40 | 184517.20 | |
| PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) | 81099.01 | 84372.80 | 124319.10 | 127893.30 | |
| Pebrellin | 20182.54 | 18985.75 | 18095.70 | 17930.90 | |
| PE(DiMe(11,3)/MonoMe(13,5)) | 172272.43 | 170221.15 | 152519.90 | 154376.80 | |
| PE(DiMe(11,5)/MonoMe(13,5)) | 40117.75 | 36888.30 | 37288.10 | 37249.30 | |
| Pelargonidin 3-O-[b-D-Glucopyranosyl-(1->2)-[4-hydroxycin... | 17424.23 | 16909.25 | 17341.60 | 16679.80 | |
| PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) | 16139.65 | 16071.05 | 14644.20 | 14576.20 | |
| Pentadecanal | 22713.50 | 21702.05 | 18800.30 | 18218.80 | |
| Pentadecanoyl Coenzyme A | 29255.37 | 28024.40 | 29136.80 | 29565.00 | |
| Pentanamide | 3303.79 | 3443.65 | 2976.70 | 3139.80 | |
| Pentanoic acid | 125768.12 | 124693.05 | 121122.70 | 120661.30 | |
| Pentobarbital | 32918.42 | 31020.15 | 32404.90 | 31385.00 | |
| Pentonic acid | 221340.83 | 196806.90 | 112284.70 | 113022.20 | |
| Pentose | 153230.85 | 157335.75 | 106141.20 | 106407.00 | |
| Pentose P | 106101.44 | 99574.75 | 226410.60 | 158178.70 | |
| PE(O-16:1(1Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 193257.78 | 190962.80 | 424830.20 | 440285.70 | |
| PE(O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z)) | 243207.42 | 233571.95 | 376657.10 | 395055.60 | |
| Peonidin 3-rhamnoside 5-glucoside | 15109.24 | 14549.95 | 12819.80 | 13062.20 | |
| Perindopril | 72362.21 | 90136.40 | 78052.30 | 79157.90 | |
| Perulactone | 58888.75 | 66039.80 | 50711.40 | 51040.70 | |
| Petunin | 15715.88 | 15546.00 | 13355.30 | 13491.20 | |
| PG(16:0/18:2(9Z,12Z)) | 33732.25 | 32625.75 | 48515.70 | 45872.50 | |
| PG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) | 39910.66 | 38409.45 | 43475.80 | 43499.80 | |
| PG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 65175.69 | 67741.05 | 76491.30 | 75802.50 | |
| PG(18:0/18:0) | 695654.87 | 678903.15 | 957379.80 | 975754.80 | |
| PG(18:0/18:1(11Z)) | 90340.62 | 89624.70 | 178092.40 | 191845.60 | |
| PG(18:0/18:2(9Z,12Z)) | 65177.96 | 64405.65 | 110522.60 | 122537.80 | |
| PG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 33902.63 | 34157.10 | 41816.50 | 40733.70 | |
| PG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 39910.66 | 38409.45 | 43475.80 | 43499.80 | |
| PG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 29763.71 | 30996.40 | 28449.40 | 29000.60 | |
| PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) | 29763.71 | 30996.40 | 28449.40 | 29000.60 | |
| PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) | 33902.63 | 34157.10 | 41816.50 | 40733.70 | |
| PGP(16:0/18:0) | 21999.51 | 21289.50 | 19737.80 | 20114.90 | |
| PGP(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 23594.68 | 23379.65 | 31155.60 | 31439.20 | |
| PGP(a-13:0/a-17:0) | 21322.55 | 22122.50 | 21918.40 | 22474.30 | |
| PGP(a-13:0/i-20:0) | 26417.95 | 25971.25 | 21290.40 | 21133.00 | |
| PGP(a-13:0/i-22:0) | 63295.27 | 61176.40 | 96338.80 | 96994.60 | |
| Phenelzine | 7342.30 | 7623.75 | 5968.90 | 5730.30 | |
| Phenol | 250412.39 | 163862.95 | 166078.70 | 169848.00 | |
| Phenol sulfate | 1297238.81 | 685331.65 | 781765.20 | 803660.50 | |
| Phenylacetaldehyde | 338340.50 | 320018.50 | 275922.40 | 283554.60 | |
| Phenyl acetate | 405290.75 | 387934.50 | 260083.70 | 254111.70 | |
| Phenylalanine | 1683703.64 | 1709645.00 | 1381882.40 | 1388334.00 | |
| Phenylalanylphenylalanine | 442967.68 | 447300.65 | 213112.60 | 213214.90 | |
| Phenylalanyl-Tyrosine | 42725.01 | 40989.30 | 49230.60 | 48225.10 | |
| Phenylethyl alcohol | 41511.41 | 42417.25 | 53077.30 | 46599.40 | |
| Phosphodimethylethanolamine | 100895.36 | 86083.35 | 66801.30 | 68146.40 | |
| Phosphoenolpyruvate | 5727.97 | 5567.85 | 6455.40 | 6599.20 | |
| Phosphoglycerate | 17014.09 | 15986.80 | 24555.90 | 27082.00 | |
| Phosphoglycolic acid | 6725.29 | 6499.80 | 6383.20 | 6407.10 | |
| Phosphoribosyl formamidocarboxamide | 17433.70 | 15741.00 | 17555.50 | 18273.80 | |
| PhosphoribosylformiminoAICAR-phosphate | 10122.38 | 11899.85 | 8604.90 | 8611.20 | |
| Phosphoserine | 30271.84 | 29203.10 | 30441.70 | 31120.10 | |
| Phthalate | 47066.15 | 49944.80 | 28476.60 | 27842.40 | |
| Phytal | 8583.77 | 7929.10 | 9069.20 | 9214.20 | |
| Phytosulfokine b | 24159.08 | 23058.90 | 19562.60 | 19422.90 | |
| PI(16:0/18:2(9Z,12Z)) | 206068.34 | 196277.00 | 635378.10 | 648472.20 | |
| PI(16:0/20:2(11Z,14Z)) | 442268.34 | 455265.90 | 1042407.60 | 1110828.00 | |
| PI(16:0/20:4(5Z,8Z,11Z,14Z)) | 415225.10 | 392525.30 | 1677885.10 | 1594972.60 | |
| PI(16:0/22:4(10Z,13Z,16Z,19Z)) | 1872650.27 | 1751636.80 | 9241990.60 | 9041984.40 | |
| PI(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) | 197220.64 | 193711.60 | 539591.90 | 500763.40 | |
| PI(18:0/22:4(10Z,13Z,16Z,19Z)) | 146566.42 | 192182.90 | 124825.30 | 118781.00 | |
| PI(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 86475.53 | 83165.55 | 142271.90 | 140045.10 | |
| Pilocarpine | 15388.13 | 13956.65 | 30319.90 | 24338.90 | |
| Pimelate | 57048.21 | 54335.20 | 125120.10 | 120379.90 | |
| Piperacillin | 54587.25 | 50028.15 | 49762.00 | 49714.70 | |
| Piperundecalidine | 29570.97 | 27873.65 | 41001.90 | 41716.40 | |
| Pirbuterol | 25901.17 | 24493.00 | 26705.30 | 26289.10 | |
| Pitheduloside A | 26844.40 | 33487.50 | 23490.80 | 22132.90 | |
| Plastoquinone 9 | 18330.66 | 17608.00 | 15498.80 | 15624.40 | |
| Polyethylene, oxidized | 281038.17 | 276926.25 | 442175.30 | 419291.90 | |
| Polyoxyethylene 40 monostearate | 106448.85 | 115837.85 | 87767.90 | 92513.50 | |
| Polystyrene sulfonate | 240006.02 | 235719.20 | 166706.70 | 161982.60 | |
| Potassium 2-(1^^-ethoxy) ethoxypropanoate | 301608.55 | 356770.00 | 193401.10 | 193561.20 | |
| Pramipexole | 40364.80 | 43779.15 | 58380.40 | 57847.00 | |
| Prilocaine | 13515.83 | 14427.85 | 9568.10 | 9508.70 | |
| Procarbazine | 12383.50 | 17516.15 | 10857.10 | 11064.60 | |
| Procyanidin | 20572.41 | 20818.55 | 16534.60 | 15832.70 | |
| Procyclidine | 15647.38 | 15331.40 | 15245.40 | 15345.40 | |
| Proline | 1333234.54 | 1362853.60 | 880222.90 | 884673.20 | |
| Prolylhydroxyproline | 110910.29 | 137948.25 | 97242.80 | 97677.80 | |
| Prolyl-Threonine | 117583.32 | 104316.00 | 109903.70 | 107462.00 | |
| Promazine 5-sulfoxide | 60342.26 | 60757.60 | 64597.80 | 60895.70 | |
| Propanol | 12483.41 | 12122.35 | 10570.70 | 9739.10 | |
| Propenoic acid C3:1 | 70578.53 | 63510.60 | 60349.00 | 60393.70 | |
| Propenoylcarnitine | 19449.80 | 20763.85 | 19708.50 | 19577.10 | |
| Propionylcarnitine | 32032.09 | 30506.55 | 105301.20 | 99576.30 | |
| Propionylcholine | 7146.07 | 6254.45 | 7483.40 | 7544.70 | |
| Propofol | 19031.96 | 8495.95 | 7435.40 | 7312.90 | |
| Propylene glycol mono- and diesters of fats and fatty acids | 23665.02 | 24884.15 | 25962.70 | 25962.30 | |
| Propylhydroxypentanoic acid | 34859.02 | 30776.25 | 53650.60 | 49818.80 | |
| Propyl propane thiosulfonate | 46507.58 | 41429.10 | 38670.00 | 37182.90 | |
| Prostaglandin D1 | 75041.25 | 68750.65 | 113546.50 | 117535.40 | |
| Prostaglandin D2 | 107217.75 | 109184.70 | 137304.80 | 132868.40 | |
| Protoleucomelone | 16640.28 | 15581.50 | 14110.60 | 14799.80 | |
| Prunus inhibitor b | 19015.04 | 17206.00 | 15262.00 | 15405.80 | |
| PS(14:1(9Z)/16:1(9Z)) | 20892.89 | 21499.15 | 21008.50 | 22489.40 | |
| PS(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) | 17748.08 | 22039.20 | 27536.70 | 27386.50 | |
| PS(15:0/22:4(7Z,10Z,13Z,16Z)) | 73040.59 | 72056.00 | 75691.70 | 72301.20 | |
| PS(16:0/20:4(5Z,8Z,11Z,14Z)) | 24893.63 | 24555.80 | 23609.30 | 23371.50 | |
| PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 27524.73 | 27316.50 | 27005.80 | 27006.30 | |
| PS(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 18700.20 | 18434.85 | 17220.60 | 17332.20 | |
| PS(18:0/18:2(9Z,12Z)) | 27539.45 | 26595.25 | 30575.10 | 32131.00 | |
| PS(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 24943.27 | 24206.70 | 28405.10 | 28305.20 | |
| PS(20:3(5Z,8Z,11Z)/24:1(15Z)) | 36039.28 | 33286.35 | 41686.60 | 43491.30 | |
| PS(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) | 197220.64 | 193711.60 | 539591.90 | 500763.40 | |
| PS(24:0/24:1(15Z)) | 29388.14 | 29139.75 | 24496.00 | 24283.10 | |
| PS(24:1(15Z)/24:1(15Z)) | 18021.64 | 18849.25 | 15355.50 | 15059.30 | |
| PS(DiMe(11,3)/DiMe(11,5)) | 36357.47 | 34510.50 | 29234.60 | 28725.20 | |
| PS(DiMe(11,3)/MonoMe(11,5)) | 220964.04 | 204563.70 | 208067.90 | 210703.70 | |
| Pseudoecgonine | 36254.13 | 32506.80 | 57961.80 | 47398.70 | |
| Pseudooxynicotine | 13510.76 | 17421.15 | 19942.40 | 18803.40 | |
| psi-Pelletierine | 3343.08 | 3426.00 | 3269.50 | 3340.60 | |
| Pteroside B | 195051.01 | 153892.25 | 214086.70 | 212931.80 | |
| Pyridine | 2927.16 | 2745.60 | 2539.70 | 2737.30 | |
| Pyridoxal | 37664.41 | 36578.00 | 34291.60 | 34422.30 | |
| Pyridoxaminium(1+) | 13148.23 | 12178.70 | 11694.00 | 11131.00 | |
| Pyridoxine | 34883.85 | 31904.65 | 24918.40 | 25201.50 | |
| Pyrocatechol sulfate | 757080.31 | 728807.15 | 605151.40 | 573174.20 | |
| Pyrrole-2-carboxylic acid | 43389.31 | 42351.25 | 28497.50 | 27492.70 | |
| Pyrroline carboxylic acid | 31265.61 | 31003.25 | 24422.40 | 24350.70 | |
| Pyruvate | 51520.13 | 45450.95 | 59222.70 | 58978.00 | |
| Pyruvate oxime | 2605.19 | 2473.55 | 2196.20 | 2465.40 | |
| QH2 | 43081.92 | 43606.60 | 45073.50 | 46376.60 | |
| Quercetin 3-(6^^^^-malonyl-glucoside) | 14650.77 | 14215.45 | 13076.50 | 13328.00 | |
| Quinic acid | 381375.85 | 311416.35 | 174301.80 | 173435.10 | |
| (R)-1,3-Octanediol | 10132.78 | 11943.75 | 16715.70 | 15778.30 | |
| (R)-1-O-b-D-glucopyranosyl-1,3-octanediol | 20860.92 | 23480.35 | 30202.00 | 29947.40 | |
| (R)-2-Benzylsuccinate | 50261.27 | 49552.00 | 83133.80 | 77618.80 | |
| (R)-2-Methylimino-1-phenylpropan-1-ol | 10372.08 | 9884.65 | 8774.10 | 9528.10 | |
| (R)-3-Hydroxy-5-phenylpentanoic acid | 72881.15 | 78845.00 | 82629.90 | 78420.40 | |
| (R)-3-Hydroxy-Octadecanoic acid | 671600.58 | 639525.30 | 890560.80 | 871765.40 | |
| (R)-4^^-phosphonatopantothenate(3-) | 23528.26 | 22599.70 | 23801.50 | 23754.90 | |
| Resolvin D1 | 36361.84 | 46160.90 | 54927.70 | 54816.00 | |
| Retinal | 45834.58 | 41262.20 | 44275.50 | 45180.40 | |
| Rhazidigenine Nb-oxide | 815067.14 | 650406.95 | 803047.10 | 783342.20 | |
| Rheidin C | 16107.38 | 15204.45 | 12897.10 | 12992.50 | |
| Riboflavine 2^^,3^^,4^^,5^^-tetrabutanoate | 26623.91 | 28597.10 | 23728.30 | 27491.50 | |
| Rishitin | 100661.24 | 163858.10 | 76575.10 | 74370.50 | |
| (R)-N-Methylsalsolinol | 8783.82 | 8716.85 | 9101.90 | 9144.70 | |
| (R)-Pantothenic acid 4^^-O-b-D-glucoside | 18779.35 | 18312.15 | 19065.70 | 19215.90 | |
| RPR112698 | 23993.86 | 23200.70 | 32370.80 | 31810.90 | |
| Rubroskyrin | 11343.33 | 11328.90 | 10679.50 | 10688.00 | |
| Rutaretin 9-rutinoside | 16623.97 | 16472.60 | 14112.90 | 14041.70 | |
| Rutin | 18988.70 | 17801.25 | 16292.90 | 17173.60 | |
| (S)-10,16-Dihydroxyhexadecanoic acid | 94565.86 | 107878.75 | 91091.70 | 92372.60 | |
| S-(11-hydroxy-9-deoxy-delta12-PGD2)-glutathione | 38569.10 | 41822.35 | 50887.50 | 51862.00 | |
| (S1)-Methoxy-3-heptanethiol | 19059.37 | 15883.80 | 21186.90 | 23813.90 | |
| S-2-Propenyl propanethioate | 102735.09 | 103009.75 | 96682.10 | 96126.70 | |
| (S)-3-Octanol glucoside | 23112.62 | 24710.90 | 30562.40 | 30147.90 | |
| S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate | 60473.02 | 53246.55 | 41437.10 | 42072.70 | |
| (S)-[8]-Gingerol | 100285.28 | 106667.20 | 112580.30 | 131455.60 | |
| (S)-9-Hydroxy-10-undecenoic acid | 36556.13 | 37443.20 | 49823.90 | 48643.90 | |
| Saccharin | 22242.52 | 12432.45 | 12894.70 | 12825.10 | |
| S-Acetyl dihydroasparagusic acid | 24473.17 | 22441.30 | 20322.10 | 20979.00 | |
| S-Acetyldihydrolipoamide | 62967.98 | 57033.10 | 48142.10 | 47396.80 | |
| S-adenosyl-L-methioninate | 25317.91 | 23957.05 | 21449.30 | 21456.00 | |
| Safflomin C | 17843.29 | 17995.05 | 25043.10 | 27043.40 | |
| Salicyluric acid | 79570.30 | 50717.35 | 41811.70 | 41896.50 | |
| Salsoline-1-carboxylate | 39525.32 | 36341.60 | 45222.90 | 46685.80 | |
| Salvianolic acid L | 23143.57 | 21961.45 | 17851.90 | 18054.50 | |
| Sambacin | 36856.74 | 42323.40 | 39370.30 | 39548.80 | |
| Sanchinoside B1 | 34618.76 | 46689.50 | 31620.80 | 32168.10 | |
| Santene | 1942.91 | 2665.30 | 1410.20 | 1352.80 | |
| Sarsasapogenin 3-[4^^^^-glucosyl-6^^^^-arabinosylglucoside] | 22944.90 | 22989.35 | 25600.40 | 25297.50 | |
| S-Carboxymethyl-Cys | 16024.17 | 15414.95 | 12247.20 | 13225.10 | |
| Schidigerasaponin F1 | 22444.49 | 22947.80 | 36288.80 | 36467.40 | |
| Schizotenuin F | 16454.83 | 15223.35 | 13779.70 | 13197.10 | |
| Sebacic acid | 222238.67 | 215886.25 | 779994.70 | 725140.10 | |
| Sedoheptulose | 53532.44 | 47207.30 | 33485.10 | 33001.60 | |
| Sedoheptulose P | 82887.82 | 84692.80 | 132504.60 | 110340.30 | |
| Serine | 130393.20 | 137857.40 | 112093.70 | 115327.00 | |
| Serinyl-Threonine | 48661.61 | 46851.00 | 41698.20 | 44264.90 | |
| Serinyl-Valine | 121389.39 | 122566.10 | 250924.10 | 237863.00 | |
| Serotonin | 9358.89 | 9260.00 | 14297.20 | 14168.70 | |
| S-Ethyl thioacetate | 2369.85 | 2311.45 | 1849.40 | 1790.20 | |
| (S)-gamma-Calacorene | 8692.58 | 9244.00 | 8848.90 | 8844.40 | |
| Shoyuflavone B | 13177.19 | 12072.70 | 14127.90 | 13994.90 | |
| (S)-Hydroxyoctanoyl-CoA | 20329.78 | 20231.95 | 20101.00 | 19597.40 | |
| Sinapine | 37373.84 | 35758.90 | 46562.90 | 45336.40 | |
| S-Isopropyl 3-methylbut-2-enethioate | 31953.44 | 28829.90 | 27967.40 | 29573.40 | |
| (S)-Isowillardiine | 12683.42 | 11479.20 | 10743.70 | 10775.00 | |
| SM(d18:0/16:1(9Z)) | 28352.67 | 26220.15 | 21661.90 | 21964.80 | |
| SM(d18:1/22:1(13Z)) | 22319.29 | 21448.75 | 19779.70 | 20406.00 | |
| S-methylazathioprine | 26075.17 | 25049.05 | 35340.80 | 36004.10 | |
| S-Methyl methanesulfinothioate | 13493.58 | 12460.20 | 19013.50 | 17963.80 | |
| Sorbitan palmitate | 22860.18 | 21922.65 | 27439.00 | 25548.90 | |
| Soyasaponin II | 47336.19 | 44695.95 | 38459.30 | 35875.90 | |
| Spermic acid 2 | 135191.75 | 137587.45 | 278277.80 | 253039.10 | |
| Sphalleroside A | 40503.49 | 37312.70 | 36681.20 | 36580.60 | |
| S-Phenylmercapturic acid | 27935.09 | 25147.35 | 28075.10 | 28272.80 | |
| Sphinganine 1-phosphate | 33811.84 | 34550.05 | 72968.00 | 70149.90 | |
| Sphingosine 1-phosphate | 46145.88 | 48832.40 | 77855.90 | 79022.60 | |
| Spirostane-3,6-dione | 40837.73 | 41922.60 | 38836.40 | 40295.20 | |
| S-Propyl 1-propanesulfinothioate | 221340.83 | 196806.90 | 112284.70 | 113022.20 | |
| Squamocin K | 31316.97 | 48664.20 | 30844.10 | 29999.20 | |
| S,S-Dimethyl-beta-propiothetin | 27819.30 | 20086.50 | 28230.40 | 29558.00 | |
| Starch acetate | 37244.05 | 35168.70 | 44406.20 | 44257.50 | |
| Sterebin E | 80607.83 | 77462.00 | 83293.20 | 82850.00 | |
| Suberic acid | 145642.04 | 140136.75 | 410793.20 | 384975.00 | |
| Succinate | 231242.34 | 225950.45 | 267201.00 | 279670.20 | |
| Succinic aldehyde | 45673.10 | 43005.00 | 38931.60 | 39134.10 | |
| Succinylcholine | 15178.88 | 17190.10 | 25504.80 | 23230.10 | |
| Sucrose monopalmitate | 29638.38 | 40128.05 | 24349.00 | 23470.50 | |
| Sucrose monostearate | 25641.06 | 29251.95 | 28222.30 | 30041.30 | |
| Sulcatone | 77420.33 | 76844.60 | 396795.70 | 356392.90 | |
| Sulfamethoxazole | 178590.56 | 77022.70 | 76253.40 | 76044.40 | |
| Sulfamethoxazole N1-glucuronide | 10568.90 | 9391.15 | 9664.60 | 10000.30 | |
| Sulfo-Cys | 26915.27 | 22163.95 | 20299.00 | 23215.80 | |
| Sulfoglycolithocholate(2-) | 41576.55 | 41962.70 | 29615.90 | 29581.80 | |
| Sulfolithocholylglycine | 99381.81 | 103364.05 | 110037.10 | 112200.60 | |
| Sulforaphane | 16024.17 | 15414.95 | 12247.20 | 13225.10 | |
| Sulforhodamine B | 16657.69 | 19090.45 | 17950.00 | 18176.30 | |
| Sulfurous acid | 14714.55 | 14119.80 | 12460.00 | 12358.60 | |
| Sunitinib | 129624.70 | 187300.05 | 63897.30 | 64181.20 | |
| Tacrine | 13082.04 | 12222.25 | 8170.70 | 7990.30 | |
| Tanacetol B | 42644.06 | 50589.15 | 52147.50 | 50989.90 | |
| Taraxacolide 1-O-b-D-glucopyranoside | 71615.70 | 78306.75 | 70283.30 | 70611.90 | |
| Tartaric acid | 15716.58 | 14722.35 | 18953.20 | 20266.90 | |
| Taurine | 953227.54 | 1012489.00 | 2315830.30 | 2340745.10 | |
| Taurocholic acid | 381280.89 | 373313.40 | 767126.30 | 658400.10 | |
| Taxiphyllin | 19962.70 | 17118.05 | 20178.10 | 20523.80 | |
| Tazobactam | 98128.39 | 95146.65 | 77779.80 | 77441.20 | |
| Telithromycin | 18481.64 | 19614.05 | 15265.40 | 14813.50 | |
| Tenofovir | 21478.07 | 19394.95 | 22890.60 | 24115.80 | |
| Testosterone Propionate | 208390.50 | 190888.35 | 425970.10 | 453469.10 | |
| Tetradec-2-enal | 5888.78 | 5814.70 | 7909.40 | 7776.80 | |
| Tetradecanol | 3857.10 | 3746.65 | 4130.20 | 3901.80 | |
| Tetrahydro-6-(2-hydroxy-16,19-dimethylhexacosyl)-4-methyl-2H... | 22698.49 | 31704.40 | 20828.40 | 22357.50 | |
| Tetrahydroaldosterone-3-glucuronide | 57720.86 | 55643.15 | 33979.20 | 34149.20 | |
| Tetrahydrocorticosterone | 86254.95 | 92574.95 | 122024.00 | 135938.00 | |
| Tetrahydrofurfuryl butyrate | 89862.74 | 91619.60 | 218096.00 | 200805.90 | |
| TG(10:0/13:0/8:0) | 287449.35 | 573838.75 | 119343.80 | 119202.60 | |
| TG(10:0/i-12:0/13:0) | 29179.67 | 62774.65 | 14505.00 | 14595.20 | |
| TG(12:0/12:0/12:0) | 34920.74 | 44545.95 | 27101.50 | 29352.40 | |
| TG(14:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z)) | 17566.16 | 17047.00 | 18497.00 | 20216.80 | |
| TG(14:0/15:0/22:1(13Z)) | 17333.10 | 16068.20 | 18741.00 | 19221.10 | |
| TG(14:1(9Z)/14:1(9Z)/14:1(9Z)) | 82868.62 | 73845.10 | 132469.30 | 135648.50 | |
| TG(15:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) | 15510.10 | 15269.60 | 15309.50 | 16060.30 | |
| TG(15:0/16:0/20:3(8Z,11Z,14Z)) | 16553.78 | 15737.05 | 15567.50 | 15950.30 | |
| TG(15:0/16:0/22:2(13Z,16Z)) | 15978.90 | 14698.25 | 16071.60 | 16571.70 | |
| TG(15:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 16553.78 | 15737.05 | 15567.50 | 15950.30 | |
| TG(15:0/18:0/20:3(5Z,8Z,11Z)) | 18779.75 | 17110.90 | 21230.50 | 20997.60 | |
| TG(15:0/18:0/22:2(13Z,16Z)) | 16085.34 | 15419.00 | 15119.60 | 16302.40 | |
| TG(15:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)) | 15978.90 | 14698.25 | 16071.60 | 16571.70 | |
| TG(15:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) | 20947.62 | 19820.60 | 20366.90 | 20827.90 | |
| TG(15:0/20:1(11Z)/o-18:0) | 14577.05 | 14099.50 | 17738.60 | 17025.60 | |
| TG(15:0/20:4(5Z,8Z,11Z,14Z)/o-18:0) | 16008.61 | 15114.40 | 14854.50 | 15134.10 | |
| TG(15:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 21307.10 | 20226.80 | 18556.10 | 18783.80 | |
| TG(15:0/24:1(15Z)/22:2(13Z,16Z)) | 15452.43 | 14868.85 | 16658.90 | 15986.90 | |
| TG(16:0/14:0/16:1(9Z)) | 17262.31 | 17023.50 | 16000.00 | 16515.30 | |
| TG(16:0/16:0/16:1(9Z)) | 16758.09 | 15567.25 | 14608.80 | 14656.50 | |
| TG(16:0/16:0/18:0) | 16008.61 | 15114.40 | 14854.50 | 15134.10 | |
| TG(16:0/18:1(9Z)/20:1(11Z)) | 22717.42 | 21846.30 | 65356.10 | 64153.40 | |
| TG(16:0/20:3(5Z,8Z,11Z)/o-18:0) | 19259.76 | 18436.80 | 40116.60 | 39576.00 | |
| TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) | 16264.22 | 15028.90 | 15210.00 | 15232.60 | |
| TG(18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) | 13802.83 | 13359.15 | 13462.80 | 13392.60 | |
| TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0) | 20067.60 | 19366.80 | 16756.60 | 16846.20 | |
| TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0) | 16085.34 | 15419.00 | 15119.60 | 16302.40 | |
| TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z)) | 39759.65 | 35955.85 | 51345.10 | 55104.60 | |
| TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:... | 16085.34 | 15419.00 | 15119.60 | 16302.40 | |
| TG(22:1(13Z)/19:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 18432.09 | 17388.40 | 16079.80 | 15764.20 | |
| TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z... | 19318.10 | 17771.05 | 16265.50 | 16793.80 | |
| TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0) | 20067.60 | 19366.80 | 16756.60 | 16846.20 | |
| TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,1... | 18124.48 | 17042.25 | 17546.10 | 17427.80 | |
| TG(24:0/20:3(5Z,8Z,11Z)/o-18:0) | 16073.19 | 15029.30 | 12364.10 | 12540.00 | |
| TG(8:0/14:0/10:0) | 22748.83 | 33779.75 | 17356.60 | 17747.10 | |
| TG(8:0/8:0/10:0) | 36714.12 | 69672.55 | 17821.00 | 18113.40 | |
| TG(8:0/8:0/a-13:0)[rac] | 1297156.82 | 3011179.00 | 495266.80 | 496054.40 | |
| TG(8:0/8:0/i-12:0) | 14459.39 | 21360.15 | 10495.20 | 10717.50 | |
| Theaflavonin | 17037.92 | 16159.30 | 15396.90 | 15280.60 | |
| Theasinensin F | 17654.01 | 16828.55 | 17074.30 | 16571.90 | |
| Thiacremonone | 8443.54 | 8102.55 | 5611.40 | 5402.40 | |
| Thioacetic acid | 1425.12 | 1408.40 | 1353.00 | 1350.70 | |
| Thiocysteine | 6792.95 | 6990.85 | 4200.30 | 4213.40 | |
| (±)-threo-1-(p-Hydroxyphenyl)propylene glycol 4^^-glucosi... | 26939.25 | 25694.25 | 29081.10 | 30109.40 | |
| Threonine | 232856.34 | 243955.75 | 239660.60 | 257051.30 | |
| THTC | 18098.42 | 17877.90 | 25315.30 | 25511.00 | |
| Thymidine | 100608.77 | 95684.95 | 155648.60 | 157318.10 | |
| Thymine | 78437.31 | 73403.55 | 81278.30 | 79445.50 | |
| Thymol Sulfate | 103464.11 | 75090.50 | 51824.80 | 51887.50 | |
| Tocainide | 27550.25 | 34639.95 | 28990.80 | 26239.00 | |
| Todatriol glucoside | 36992.28 | 47826.80 | 25413.70 | 25006.00 | |
| Tolmetin | 68413.58 | 47802.45 | 43611.20 | 43577.00 | |
| Tolmetin glucuronide | 45677.73 | 16914.65 | 15663.10 | 15670.90 | |
| Toluene | 6824.40 | 6850.70 | 6258.80 | 6675.30 | |
| Torvoside G | 31409.11 | 36448.90 | 31273.70 | 34402.40 | |
| Toxin T2 tetrol | 70205.86 | 52769.00 | 55734.50 | 55101.10 | |
| Tragopogonsaponin M | 60879.29 | 58401.70 | 71503.80 | 69128.60 | |
| trans-2-Hexenoyl-CoA | 20995.36 | 20176.00 | 24964.00 | 26027.20 | |
| trans-4-Hydroxycyclohexanecarboxylate | 33338.67 | 33143.55 | 37865.40 | 37157.40 | |
| (-)-trans-Carveol | 16830.82 | 14951.80 | 12242.50 | 11643.30 | |
| (-)-trans-Carveol glucoside | 94161.97 | 85878.00 | 89991.90 | 85884.70 | |
| trans-Ferulic acid | 96774.17 | 91029.25 | 97165.90 | 101406.50 | |
| trans-o-Coumaric acid 2-glucoside | 34588.58 | 33470.10 | 35502.00 | 35372.30 | |
| trans-p-Menthane-7,8-diol 8-glucoside | 38712.60 | 35554.40 | 45082.40 | 44710.90 | |
| Traumatic acid | 182706.74 | 186627.35 | 206848.40 | 202505.80 | |
| Triacetin | 104756.77 | 88058.10 | 80182.30 | 79226.70 | |
| Tricin 7-neohesperidoside | 21634.25 | 20379.20 | 18084.20 | 17764.10 | |
| Tricin 7-[p-coumaroyl-(->2)-glucuronyl-(1->2)-glucuron... | 15756.79 | 15219.70 | 14549.50 | 14597.00 | |
| Triethylene Glycol Monomethyl Ether | 8750.62 | 9832.20 | 7909.30 | 7748.70 | |
| Trimethylpyrazine | 7703.09 | 7890.05 | 9591.90 | 8331.90 | |
| Tri-N-acetylchitotriose | 27098.01 | 26938.65 | 28444.40 | 28818.80 | |
| Triose | 51880.76 | 54308.15 | 58377.90 | 56981.90 | |
| Triparinarin | 24624.82 | 23373.60 | 21737.10 | 22214.50 | |
| Trisalicylate-choline | 13126.00 | 14617.20 | 11587.00 | 11351.90 | |
| Tropine | 6274.38 | 6332.35 | 5762.00 | 5486.90 | |
| Tryptophan | 559004.94 | 588611.45 | 785604.50 | 753728.60 | |
| Tryptophanamide | 24905.55 | 21158.35 | 21429.90 | 21540.90 | |
| Tryptophanol | 15208.53 | 19176.80 | 20499.70 | 22767.70 | |
| Tryptophyl-Glutamate | 55215.00 | 52538.80 | 84636.40 | 90136.10 | |
| Tryptophyl-Valine | 32641.34 | 38841.50 | 34072.30 | 33970.00 | |
| Tuberoside | 31995.67 | 38675.75 | 19560.70 | 20806.40 | |
| Tylosin | 47336.19 | 44695.95 | 38459.30 | 35875.90 | |
| Tyramine | 20541.56 | 20299.40 | 15340.50 | 14719.30 | |
| Tyrosine | 1068914.70 | 1058299.75 | 968648.40 | 1014723.60 | |
| Tyrosol 4-sulfate | 80958.39 | 82831.20 | 52728.00 | 53950.60 | |
| Tyrosyl-Valine | 67023.31 | 67613.90 | 82317.00 | 82194.60 | |
| Ubiquinol-6 | 52988.54 | 67253.70 | 45457.10 | 46466.70 | |
| Udenafil | 32750.83 | 31250.15 | 32280.20 | 32016.20 | |
| UDP | 22919.88 | 20986.75 | 20329.00 | 20319.80 | |
| UDP-acetyl-hexosamine | 9241.36 | 8871.35 | 9553.10 | 9991.20 | |
| UDP-hexosamine | 8707.79 | 8586.15 | 9221.90 | 9186.00 | |
| UDP-hexose | 14955.37 | 14873.55 | 13322.20 | 13334.70 | |
| Umbelliferone | 26038.26 | 24346.60 | 19615.10 | 19101.20 | |
| UMP | 71081.60 | 63708.55 | 64331.10 | 65844.40 | |
| Undecanedioic acid | 195928.07 | 191475.65 | 821485.70 | 754145.30 | |
| Undecanoic acid | 23862.79 | 24589.75 | 33012.50 | 31626.50 | |
| Undecaprenyl diphosphate | 22851.49 | 22074.90 | 23200.60 | 23962.80 | |
| Uracil | 209665.77 | 197557.10 | 284520.30 | 280263.20 | |
| Uridine | 595346.81 | 530683.40 | 350683.90 | 339688.20 | |
| Uridine 2^^,3^^-cyclic phosphate | 82099.14 | 72504.30 | 62332.90 | 62919.90 | |
| Urocanate | 100263.00 | 97380.60 | 105895.00 | 104077.30 | |
| Urolithin A | 30357.80 | 28198.25 | 16838.90 | 17037.00 | |
| Valaciclovir | 41156.90 | 40293.40 | 51896.50 | 53040.30 | |
| Valerenic acid | 44511.21 | 50826.75 | 39203.80 | 38746.90 | |
| Valerolactone | 27807.62 | 28304.60 | 24767.70 | 23240.30 | |
| Valine; Betaine | 1740228.64 | 1743519.70 | 1235982.30 | 1231378.70 | |
| Valproic acid glucuronide | 29309.35 | 25558.75 | 29154.00 | 29098.10 | |
| Val-Val-Val | 179156.00 | 170153.85 | 184921.50 | 182764.90 | |
| Valyl-Valine | 209883.95 | 198941.05 | 355789.70 | 339084.90 | |
| Vanillylmandelic acid | 42937.89 | 38527.60 | 29459.40 | 28968.50 | |
| Vanilpyruvic acid | 63718.32 | 72505.70 | 43192.00 | 42360.10 | |
| Varanic acid | 86706.51 | 115605.85 | 60465.60 | 59180.50 | |
| Varenicline | 8707.92 | 8921.05 | 17895.90 | 16572.80 | |
| Verimol B | 106325.48 | 95005.60 | 90784.20 | 91838.90 | |
| Vidarabine | 64662.65 | 63669.15 | 64634.00 | 66183.10 | |
| Vignatic acid A | 43528.58 | 45718.40 | 49041.20 | 47806.00 | |
| Vincristine | 31008.45 | 31067.30 | 34331.10 | 36062.70 | |
| Xanthine | 601993.72 | 389243.75 | 683250.30 | 645429.90 | |
| Xanthochymuside | 18538.81 | 17412.15 | 14878.10 | 14791.70 | |
| Xanthosine | 125939.84 | 105349.50 | 176432.70 | 174408.90 | |
| xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside | 51899.61 | 38255.35 | 32512.00 | 31808.30 | |
| xi-7-Hydroxyhexadecanedioic acid | 92160.62 | 96586.30 | 171914.10 | 162013.80 | |
| (Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne | 50261.27 | 49552.00 | 83133.80 | 77618.80 | |
| (Z)-4-Dodecenal | 7647.08 | 7332.55 | 10526.20 | 11367.70 | |
| (Z)-4-Heptenal | 12257.25 | 11238.75 | 24522.80 | 22695.70 | |
| (Z)-9-Cycloheptadecen-1-one | 10196.54 | 11039.05 | 11062.90 | 12053.80 | |
| Zafirlukast metabolite M5 | 16623.97 | 16472.60 | 14112.90 | 14041.70 | |
| Zaleplon | 21501.10 | 19559.55 | 25334.20 | 23834.90 | |
| Zanthodioline | 21501.10 | 19559.55 | 25334.20 | 23834.90 | |
| Ziziphin | 18500.83 | 19240.80 | 15384.60 | 15421.90 | |
| (Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide | 6525.33 | 6037.25 | 5788.60 | 5523.60 | |
| Zonisamide | 24578.87 | 24186.80 | 20127.70 | 20219.00 | |
| (Z)-Resveratrol 4^^-glucoside | 45559.80 | 45445.50 | 35209.70 | 35050.70 | |
| Zymonic acid | 42601.25 | 38206.05 | 33345.00 | 31382.90 |
Factors:
| F1 | condition:HS CRC |
| F2 | condition:HS CTRL |
| F3 | condition:S Bp serum |
| F4 | condition:S ctrl serum |
