Data for ST004389
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 10-Hydroxycamptothecin | 24720.67 | 19690.50 | - | - | |
| 1-(11Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosph... | 96772.35 | 128173.18 | - | - | |
| 1-[18-Hydroxyoeoyl]-2-[18-hydroxy-lioleoyl]-sn-glycerol 3-ph... | 40164.11 | 44622.44 | 12742.53 | 10885.58 | |
| 11beta-PGF2alpha-EA | 8567.80 | 7504.52 | - | - | |
| 11b-Prostaglandin F2a-d4 | 5903.19 | 5070.02 | - | - | |
| 11-Dehydrocorticosterone | 34537.13 | 34474.48 | - | - | |
| 1-(1-Propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]... | 4969.79 | 4669.24 | 4754.52 | 4186.01 | |
| 1-(1Z-hexadecenyl)-2-docosanoyl-glycero-3-phosphocholine | 3538.00 | 6278.35 | - | - | |
| 1-(1Z-octadecenyl)-2-docosanoyl-glycero-3-phosphoethanolamin... | 2032.43 | 1631.19 | - | - | |
| 12,14-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacy... | 142027.75 | 143754.51 | - | - | |
| 1-(2,4-Dimethyl-1,3-oxazol-5-yl)ethan-1-one | 9832.71 | 9034.77 | - | - | |
| 1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone | 32377.17 | 30494.27 | - | - | |
| 1-(2-Adamantyl)-3-butylthiourea | 5502.88 | 6865.31 | - | - | |
| 12-Deoxyaklanonic acid | 18456.04 | 21794.13 | - | - | |
| 1,2-Didocosanoyl-sn-glycero-3-phosphoserine | 15095.93 | 20187.22 | - | - | |
| 1,2-Dierucoyl-sn-glycero-3-phosphocholine | 12258.07 | 17514.51 | - | - | |
| 1,2-Di-O-(8-hexadecenoyl)-3-O-(6-sulfoquinovopyranosyl)glyce... | 47072.50 | 39725.55 | - | - | |
| 12-Hydroxy-6-epi-albrassitriol | 23638.02 | 20319.33 | - | - | |
| 12-Hydroxydodecanoic acid | 32871.20 | 26066.79 | - | - | |
| 12-Hydroxystearic acid | 3704783.52 | 3636524.84 | 161334.90 | 135428.13 | |
| 12-Ketolithocholic acid | 1047081.69 | 917726.67 | 3083.99 | 2942.99 | |
| 13,14-dihydro-15-keto-tetranor Prostaglandin E2 | 6131.81 | 3611.84 | 8838.83 | 8722.16 | |
| 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid | 37715.21 | 32024.19 | - | - | |
| 1,3,7-Trimethyluric acid | 18442.71 | 19227.92 | - | - | |
| 1,3-dihydroxy-N-methylacridone | 7262.47 | 9734.38 | - | - | |
| 14,15-Leukotriene E4 | 67328.62 | 52659.05 | - | - | |
| 1,4-Dimethyl-7-ethylazulene | 11107.92 | 10735.92 | - | - | |
| 14-Methyldelphinifoline | 30296.21 | 25590.01 | - | - | |
| (14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-dia... | 6080.91 | 6585.50 | - | - | |
| 1-[(4-Tert-butylphenyl)sulfonyl]piperazine | 62145.73 | 72350.93 | - | - | |
| 1-[5-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]ethanone | 20292.24 | 18673.10 | - | - | |
| 15,18-Ethano-3,25-methano-16,4-benzoxaazacyclotricosine-1,5,... | 2574.66 | 3471.45 | 20593.24 | 15805.43 | |
| 1-(5-Aminopentyl)guanidine | 4844.78 | 3882.48 | - | - | |
| 1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methylpiperazine | 20727.56 | 21054.95 | - | - | |
| 16,16-dimethylprostaglandin E2 | 65965.98 | 55868.81 | - | - | |
| 1,6-Anhydro-N-acetyl-beta-muramate | 131386.32 | 133624.20 | - | - | |
| 16-phenyl tetranor Prostaglandin E2 | 6221.46 | 5454.55 | - | - | |
| 16-Phenyl tetranor prostaglandin F2alpha | 7509280.59 | 6685824.98 | - | - | |
| 1,6-Pyrenedione | 2188.58 | 938.73 | - | - | |
| 17|A-Carboxy-17|A-formyloxy Dexamethasone | 4931.20 | 7450.16 | - | - | |
| 17alpha-Estradiol | 3307.61 | 3748.18 | - | - | |
| 17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol | 117512.65 | 107569.39 | - | - | |
| 17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one | 7587.43 | 6646.36 | - | - | |
| 17-keto-7(Z),10(Z),13(Z),15(E),19(Z)-Docosapentaenoic Acid | 2771.17 | 2875.11 | - | - | |
| 17-phenoxy trinor PGF2 ethyl amide | 2900.41 | 2618.54 | - | - | |
| 17-phenyl trinor Prostaglandin D2 | 10333.61 | 8287.74 | - | - | |
| 19-Hydroxyandrost-4-ene-3,17-dione | 39607.70 | 42539.11 | - | - | |
| 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol) | 92453.85 | 104040.15 | - | - | |
| 1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine | 68675.41 | 51199.39 | 130316.31 | 100541.94 | |
| 1-Acetylproline | 96518.97 | 103908.50 | - | - | |
| 1-Aci-nitro-2-(4-hydroxyphenyl)ethane | 6327.82 | 6663.05 | - | - | |
| 1-(Ammoniomethyl)cycloheaxaneacetate | 211658.06 | 211452.05 | - | - | |
| 1-(beta-d-Glucopyranosyloxy)-3-octanone | 11656.52 | 12450.43 | - | - | |
| 1-butyl-3-methyl-1H-imidazol-3-ium | 19093.05 | 18919.24 | - | - | |
| 1-deoxy-D-xylulose 5-phosphate | 12444.40 | 9182.05 | - | - | |
| 1-Docosanoyl-2-eicosanoyl-glycero-3-phosphoserine | 16667.72 | 14874.70 | - | - | |
| 1-Docosanoyl-2-octadecanoyl-glycero-3-phosphoserine | 6771.88 | 6068.73 | - | - | |
| 1-Eicosanoyl-2-tetradecanoyl-glycero-3-phosphoserine | 66082.93 | 56372.07 | - | - | |
| 1H,10H-Pyrrolo(1,2-c)purine-9,10,10-triol, 2-amino-3a,4,5,6,... | 8441.26 | 6337.79 | - | - | |
| 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero... | 18842.29 | 26061.14 | 21198.99 | 27268.28 | |
| 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphos... | 18011.52 | 14253.11 | - | - | |
| 1-Hydroxy-2-naphthoate | 13922.67 | 26505.77 | 3700.88 | 3027.27 | |
| 1-Hydroxyanthraquinone | 15028.36 | 21863.69 | - | - | |
| 1-Linoleoyl-3-arachidonoyl-sn-glycerol | 79220.90 | 72809.73 | - | - | |
| 1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-... | 25427.40 | 25066.61 | - | - | |
| 1-Methyladenosine | 11421.05 | 15537.54 | 4122.27 | 4171.85 | |
| 1-Methylimidazolidine-2-thione | 8774.09 | 10744.98 | - | - | |
| 1-Methyluric acid | 4920.26 | 4225.74 | 51401.41 | 46134.93 | |
| 1-Methylxanthine | 11077.02 | 12193.20 | 4369.30 | 4079.14 | |
| 1,N(2)-Propanodeoxyguanosine | 20687.52 | 20682.36 | - | - | |
| 1-O-Acetylbritannilactone | 10601.64 | 9667.52 | - | - | |
| 1-Octadecanoyl-2-hexadecanoyl-glycero-3-phospho-(1^-myo-inos... | 22886.03 | 15416.79 | - | - | |
| 1-Octadecyl Lysophosphatidic Acid | 3336157.23 | 3092906.27 | 13568.04 | 14612.84 | |
| 1-Oleoyl-sn-glycero-3-phosphate(2-) | 21631.25 | 19372.91 | - | - | |
| 1-Oxazolo[4,5-b]pyridin-2-yl-9-octadecyn-1-one | 2828269.36 | 2639736.22 | 3789.35 | 2743.37 | |
| 1-Palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine | 8717.30 | 11377.48 | 25518.46 | 41589.35 | |
| 1-pentadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycerol | 13269.76 | 12078.58 | - | - | |
| 1-Phenyl-1,2-propanedione | 5951.56 | 5709.74 | - | - | |
| 1-Phenyl-3-(pyridin-2-ylmethyl)thiourea | 3011.68 | 2577.52 | - | - | |
| (1R,2R)-3-chlorocyclohexa-3,5-diene-1,2-diol | 34811.95 | 37736.04 | - | - | |
| (1R,2R,5R,8R,9S,10R,12S)-12-Hydroxy-11-methyl-6-methylidene-... | 7216.96 | 4987.41 | 3390.82 | 2948.01 | |
| (1R,2S,4S,6R,7S,8R,9S,12S,13R,18S,19S)-6-methoxy-7,9,13-trim... | 15634.06 | 11347.55 | - | - | |
| (1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid | 33221.60 | 29726.61 | - | - | |
| (1^R)-Nepetalic acid | 4155.93 | 6521.66 | - | - | |
| (1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol | 33097.43 | 29194.13 | - | - | |
| [(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymeth... | 62247.00 | 65341.67 | - | - | |
| (1S,4aS,12aS)-3-carbamoyl-1-(dimethylammonio)-4a,6,7-trihydr... | 20199.15 | 13195.52 | - | - | |
| (1S,6S,7R)-6,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-... | 8600.44 | 2846.78 | - | - | |
| 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine | 7462.86 | 5682.53 | 36069.25 | 38245.06 | |
| 1-Stearoylglycerophosphoserine | 35917.64 | 22047.77 | 323830.88 | 344651.18 | |
| 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyr... | 17666.48 | 12537.92 | - | - | |
| 1-tetradecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphochol... | 13049.69 | 9207.26 | - | - | |
| 20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexa... | 57061.33 | 66544.51 | - | - | |
| 21-Deoxycortisol | 594939.67 | 508436.48 | - | - | |
| 21-Deoxycortisone | 6141.89 | 5866.09 | - | - | |
| 2-(1-methyl-1H-imidazol-4-yl)acetic acid | 6373.74 | 6147.24 | - | - | |
| 2-(2,6-dihydroxy-4-{6-hydroxy-7-[(2E)-3-methyl-4-(sulfooxy)b... | 46407.30 | 45070.04 | - | - | |
| 2,2-Dimethylbutyric acid | 20518.53 | 19829.59 | - | - | |
| 2,2-Dimethylsuccinic acid | 3095.98 | 2893.81 | - | - | |
| 2,2^-Dipyridylamine | 7479.82 | 7362.10 | - | - | |
| 2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,... | 47312.15 | 32628.19 | - | - | |
| 2-[3-(2-Hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]... | 21568.30 | 21949.79 | - | - | |
| 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one | 30134.48 | 27678.62 | - | - | |
| 2-(3,4-Dimethoxybenzamido)thiophene-3-carboxamide | 7455.54 | 5842.19 | - | - | |
| 2,3,4^-Trihydroxy-4-methoxybenzophenone | 48584.78 | 43278.87 | - | - | |
| 2,3-Benzofluorene | 22428.39 | 19731.51 | - | - | |
| 2,3-bis-O-phytanyl-sn-glycerol 1-phosphate(2-) | 13300.80 | 13935.22 | - | - | |
| 2,3-Dimethoxyphenol | 10643.27 | 12368.39 | - | - | |
| 2,3-dinor-8-iso Prostaglandin F2α | 148470.06 | 94667.93 | - | - | |
| 2,3-Diphenylquinoxaline-6-carboxylic acid | 20432.95 | 18577.11 | - | - | |
| 2-[3-hydroxy-2-methoxy-4-(methoxymethyl)phenyl]-3,4-dihydro-... | 48596.59 | 36775.02 | - | - | |
| 2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrim... | 45529.00 | 41865.91 | - | - | |
| 2,4,5-Trihydroxytoluene | 3546.37 | 3785.30 | - | - | |
| 2,4-Diamino-6-hydroxypyrimidine | 7667.14 | 8568.66 | - | - | |
| 2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxy... | 52564.98 | 40818.90 | - | - | |
| 2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one | 17426.28 | 16145.49 | - | - | |
| 2,4-Quinolinediol | 106755.54 | 56650.62 | - | - | |
| 2^,5^-Dichloro-2-hydroxybiphenyl | 1704.27 | 1637.14 | - | - | |
| 2^,5^-Dichlorobiphenyl-3-ol | 19857.22 | 14254.13 | - | - | |
| (25R)-Delta(4)-dafachronic acid | 23551.10 | 21539.39 | - | - | |
| (25S)-Delta(7)-dafachronic acid | 66261.18 | 58632.76 | 3693.55 | 3618.43 | |
| 2,6-Dimethylphenol | 17300.99 | 20118.25 | - | - | |
| 2,7-Dihydroxy-5-methyl-1-naphthoic acid | 7459.63 | 6433.64 | - | - | |
| 28-Noroleana-11,13(18),17(22)-triene-3,21-dione | 6103.02 | 9257.30 | - | - | |
| [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[3,4,5-trihydroxy-6... | 11281.38 | 11187.65 | - | - | |
| 2-Acetamido-2-Deoxy-D-Mannopyranose | 203989.72 | 198355.11 | 26268.25 | 25077.48 | |
| 2-Acetylaminofluorene | 1650.29 | 909.23 | - | - | |
| 2-Amino-3-[(3-methylbut-2-en-1-yl)sulfanyl]propanoic acid | 1375.45 | 550.87 | - | - | |
| 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1... | 1372.74 | 937.81 | - | - | |
| 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[4... | 16668.00 | 4806.79 | - | - | |
| 2-Amino-5-nitrobenzoic acid | 21382.84 | 33684.13 | - | - | |
| 2-Amino-6-ureidohexanoic acid | 4575.56 | 3439.77 | - | - | |
| 2-Aminoacridone | 14356.05 | 18433.73 | - | - | |
| 2-Aminonicotinic acid | 32202.54 | 27675.42 | - | - | |
| 2-Aminophenol | 47029.98 | 53449.57 | - | - | |
| 2-Benzylmalate | 45613.09 | 41364.39 | 13909.84 | 17631.16 | |
| 2-Chloro-2^-Deoxyadenosine | 3419.27 | 4050.44 | 11319.59 | 11168.67 | |
| 2-deoxy-5-O-phosphono-D-erythro-pentose | 23685.06 | 26126.46 | - | - | |
| 2^-Deoxyadenosine-5^-monophosphate | 24587.19 | 28252.83 | - | - | |
| 2^-Deoxycytidine-5^-monophosphate | 4608.43 | 7498.97 | - | - | |
| 2-Deoxy-D-ribofuranose 5-phosphate | 4406.00 | 3934.70 | - | - | |
| 2^-Deoxyinosine | 361995.44 | 352283.23 | - | - | |
| 2-Deoxyribose-5^-phosphate | 12319.17 | 12239.39 | - | - | |
| 2-[[(E,2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadec-4-enoxy... | 4142.70 | 3237.96 | - | - | |
| (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate | 4592.54 | 6330.81 | - | - | |
| 2-Hexyl-1,3-dioxan-5-ol | 12334.28 | 9687.20 | - | - | |
| 2-hydroxy-2-(4-hydroxyphenyl)ethyl 3-(4-hydroxy-3-methoxyphe... | 39659.54 | 30138.26 | - | - | |
| 2-hydroxy-2H-pyran-4,6-dicarboxylic acid | 6620.18 | 7689.95 | - | - | |
| 2-Hydroxy-2-methylbutyric acid | 68324.84 | 64206.67 | - | - | |
| 2-Hydroxy-3,4-dimethoxybenzoic acid | 110533.24 | 96828.13 | - | - | |
| 2-Hydroxycinnamic acid | 267867.00 | 231098.38 | 10876.55 | 10596.91 | |
| 2-Hydroxyethanesulfonic acid | 11891.41 | 12392.51 | - | - | |
| 2-Hydroxyglutarate | 23641.69 | 24084.72 | - | - | |
| 2-Hydroxyoct-1-enoylglycine | 48753.04 | 45757.38 | - | - | |
| (2-iodo-5-nitrophenyl)(1-((1-methylpiperidin-2-yl)methyl)-1H... | 3684.31 | 3914.68 | - | - | |
| 2-Isopropyl-4,6-dimethyl-1,3,5-dithiazinane | 6435.89 | 7134.76 | - | - | |
| 2-Isopropylmalate | 31541.93 | 27407.46 | - | - | |
| 2-Methoxy-4-[(1e)-3-Methoxyprop-1-En-1-Yl]phenol | 5450.99 | 5193.90 | - | - | |
| (2-Methoxy-4-prop-2-enylphenyl) 4-sulooxybenzoate | 9318.02 | 12862.04 | - | - | |
| [2-(methoxymethyl)-5-(3,5,6,7-tetrahydroxy-3,4-dihydro-2H-1-... | 44281.67 | 35254.43 | - | - | |
| 2-Methoxynaphthalene | 33914.60 | 31444.42 | - | - | |
| 2-Methylbacteriohopane-32,33,34,35-tetrol | 18591.30 | 24209.68 | - | - | |
| 2-Naphthol | 6841.22 | 5516.17 | - | - | |
| 2-(N-Morpholino)ethanesulfonic acid | 14516.64 | 14130.64 | - | - | |
| 2^-O-Methyladenosine | 1457.86 | 1246.67 | - | - | |
| 2-Oxoheptanedioic acid | 79323.45 | 23801.09 | - | - | |
| 2-Phenylphenol | 8811.15 | 8592.65 | - | - | |
| 2-Phospho-D-Glyceric Acid | 19917.68 | 18092.95 | - | - | |
| 2-Propylphenol | 43622.63 | 40082.17 | - | - | |
| 2-Pyridyl hydroxymethane sulfonic acid | 33844.17 | 30098.04 | - | - | |
| 2-Pyrimidineacetic acid | 21014.08 | 23101.58 | - | - | |
| 2-[(Pyrrolidinium-2-ylcarbonyl)amino]propanoate | 7711.39 | 11303.48 | - | - | |
| (2R,2^R)-3,3^-disulfanediylbis(2-acetamidopropanoic acid) | 4574.03 | 6838.51 | 389705.72 | 546718.81 | |
| (2R,3R,4S,5S)-5-(1-hydroxyethyl)oxolane-2,3,4-triol | 25795.72 | 19653.32 | - | - | |
| [(2R,3R,4S,5S,6R)-2-[(1R,2Z,3S,4R,5S)-2-(cyanomethylidene)-3... | 9868.15 | 14559.46 | - | - | |
| (2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymeth... | 19983.24 | 26025.72 | - | - | |
| (2R,6S)-2,6-Diaminoheptanedioic acid | 31988.88 | 39463.18 | 11357.08 | 12686.86 | |
| (2R)-trihomocitric acid | 29460.90 | 11138.59 | - | - | |
| (2S)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3... | 40895.63 | 31313.77 | - | - | |
| (2S)-2-amino-3-[hydroxy-[(2R)-3-icosanoyloxy-2-[(Z)-tetracos... | 14077.06 | 16316.20 | - | - | |
| [(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy... | 11513.51 | 8062.37 | - | - | |
| (2S,3R)-2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic... | 6076.18 | 4912.67 | - | - | |
| (2S,3R,4R,4aR,6aR,6bS,8aS,14bR)-2,3-dihydroxy-4,6a,6b,11,11,... | 99960.90 | 72463.53 | 9309.33 | 10160.65 | |
| (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydr... | 67517.87 | 45131.07 | - | - | |
| (2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-... | 85557.75 | 55507.37 | - | - | |
| [(2S,4R,5R,5aS,6S,8S,9aR,10aS)-6-acetyloxy-2,4,8-trihydroxy-... | 10589.56 | 10656.83 | - | - | |
| [(2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyc... | 15406.62 | 12060.30 | - | - | |
| (2Z)-2-(16-acetyloxy-6-hydroxy-4,8,10,14-tetramethyl-3,7-dio... | 51212.36 | 46211.70 | - | - | |
| {[(2Z)-2-(phenylmethylidene)heptyl]oxy}sulfonic acid | 67619.29 | 66045.12 | - | - | |
| 31-Hydroxy rifabutin | 4506.50 | 4636.43 | - | - | |
| 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one | 285373.94 | 239583.42 | 62729.49 | 70141.74 | |
| 3-(2,4-dihydroxyphenyl)-1-{3-[5-(2,4-dihydroxyphenyl)-6-(5-h... | 11847.09 | 10257.48 | - | - | |
| 3-[[[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-N-... | 15012.84 | 14871.82 | 14750.97 | 15165.33 | |
| 3-(2-Aminopropyl)phenol | 35938.42 | 32042.15 | - | - | |
| 3-[(2-Chlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one | 5358.87 | 9232.08 | - | - | |
| 3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleuci... | 2037.94 | 1928.81 | - | - | |
| 3-[2-Methyl-5-(piperidine-1-sulfonyl)furan-3-yl]-1-phenylure... | 19321.90 | 21706.42 | - | - | |
| 3,3^,4^5-Tetrahydroxystilbene | 30342.63 | 24604.64 | 1102871.41 | 1000881.39 | |
| 3-(3,4,5-Trimethoxyphenyl)propanoic acid | 79172.96 | 73245.23 | 4725.91 | 4667.89 | |
| 3-(3,5-Diiodo-4-hydroxyphenyl)pyruvate | 1884.29 | 3934.69 | - | - | |
| 3-[(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)(4-methylphenyl... | 2409.68 | 4439.11 | - | - | |
| 3,4,5-Trimethoxycinnamic acid | 16257.76 | 18596.94 | - | - | |
| 3,4,5-Trimethoxyphenol | 4485.98 | 5034.96 | - | - | |
| 3,4-Dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl) 1H-2-ben... | 166380.75 | 138033.32 | - | - | |
| 3,4-Dihydroxy-5-sulooxycyclohexene-1-carboxylic acid | 10651.81 | 12298.49 | - | - | |
| 3,4-Dihydroxybenzenesulfonic acid | 5922.91 | 5040.08 | - | - | |
| 3,4-Dihydroxyhydrocinnamic acid | 23062.01 | 21815.05 | 8972.38 | 8548.33 | |
| 3,4-Dihydroxyphthalic acid | 29219.33 | 30642.72 | - | - | |
| 3,4-Dimethylbenzoic acid | 580186.92 | 585260.63 | - | - | |
| 3,5-Dihydroxybenzoic acid | 4688.21 | 4626.74 | - | - | |
| 3-(6-Amino-9h-purin-9-yl)propanoic acid | 2065.01 | 4407.26 | - | - | |
| 3,7-Dimethyluric acid | 16853.59 | 14354.01 | - | - | |
| 3-Amino-4-hydroxybenzoic acid | 3492.81 | 4143.46 | - | - | |
| 3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid | 15607.54 | 19168.44 | - | - | |
| 3beta-Fluoro-5alpha-androstan-17beta-ol | 11478.83 | 22937.67 | - | - | |
| 3-Butyl-2-thioxoimidazolidin-4-one | 17473.47 | 17213.87 | - | - | |
| 3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid | 8244.42 | 7750.71 | - | - | |
| 3-Deazauridine | 7702.83 | 6926.17 | - | - | |
| 3-deoxy-D-arabino-heptulosonate-7-phosphate | 13011.12 | 12495.04 | - | - | |
| 3^-Dephosphocoenzyme A | 8280.00 | 8132.03 | - | - | |
| 3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)b... | 5854.14 | 6335.66 | - | - | |
| 3-Guanidinopropionic acid | 24523.78 | 22729.58 | 7437.83 | 7937.92 | |
| [3-hexadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl... | 8118.28 | 7966.46 | - | - | |
| 3-Hexenedioic acid | 114357.24 | 83327.11 | - | - | |
| 3-Hydroxy-3-methyl-2-oxobutanoic acid | 23955.15 | 17647.25 | - | - | |
| 3-Hydroxy-8^-apo-epsilon-caroten-8^-al | 2718.94 | 6429.66 | - | - | |
| 3-Hydroxybutyrate | 8601.19 | 7323.64 | - | - | |
| 3-Hydroxydecanoic acid | 4941.34 | 4741.05 | 3836.16 | 3074.13 | |
| 3-Hydroxydecanoyl carnitine | 18992.40 | 11342.73 | - | - | |
| 3-Hydroxyflavone | 11439.52 | 11687.77 | - | - | |
| 3-Hydroxyglutaric acid | 16696.13 | 19053.72 | 10736.56 | 10263.56 | |
| 3-Hydroxyisovaleric acid | 16470.47 | 17352.18 | - | - | |
| 3-Hydroxypicolinic acid | 27554.35 | 26445.18 | - | - | |
| 3^-Hydroxyropivacaine | 163007.26 | 157374.87 | - | - | |
| 3-Indoleacetonitrile | 1879.56 | 2822.61 | - | - | |
| 3-Indolylmethyl glucosinolate | 23716.38 | 21767.09 | - | - | |
| 3-Isobutanoyl-3^,4-di(isovaleryl)sucrose | 19328.81 | 21417.33 | - | - | |
| 3-Ketosucrose | 11220.65 | 7605.91 | - | - | |
| 3-Mercaptopyruvic acid | 9088.52 | 6930.33 | - | - | |
| 3-Methoxycinnamic acid | 4056.99 | 6710.95 | - | - | |
| 3-Methyladipic acid | 354309.20 | 341563.30 | - | - | |
| 3-Methylazelaic acid | 372673.03 | 327679.40 | - | - | |
| 3-Methylcrotonyl Glycine | 47461.05 | 42393.74 | - | - | |
| 3-Methylglutarylcarnitine | 20890.64 | 29909.47 | - | - | |
| 3-Methylxanthine | 5868.46 | 7346.06 | - | - | |
| 3-O-Caffeoyl-1-O-methylquinic acid | 101307.48 | 60661.93 | - | - | |
| 3-O-Feruloylquinic acid | 11633.60 | 68784.31 | 12394.81 | 13083.96 | |
| 3-Oxalomalic acid | 10477.10 | 6886.61 | - | - | |
| (3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1... | 6262.97 | 5108.42 | - | - | |
| (3S,3aS,6R,8aS)-3,8-Dimethyl-5-(propan-2-ylidene)-2,3,4,5,6,... | 9201.62 | 8385.76 | - | - | |
| (3S)-3-benzyl-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5... | 5799.55 | 13228.42 | - | - | |
| 3-Sialyllactose | 8960.07 | 8045.75 | 5460.09 | 5096.75 | |
| 3-Sulfocatechol | 33724.16 | 30294.87 | 6675.64 | 7134.75 | |
| 4,12-Dimethoxy-17-methyl-13-oxo-17-azoniatetracyclo[7.5.3.01... | 6868.70 | 5885.83 | - | - | |
| 4-[(1-Oxo-7-phenylheptyl)amino]-(4R)-octanoic acid | 7130.97 | 5089.58 | - | - | |
| 4-(2-Hydroxyethyl)piperazin-1-ylethanesulphonic acid | 162254.06 | 144347.14 | - | - | |
| 4-[4-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-imidazol... | 25193.78 | 36532.70 | - | - | |
| 4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclopropyl-benzenesulf... | 1866.61 | 1486.70 | - | - | |
| 4-{[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)c... | 7654.55 | 10514.50 | - | - | |
| 4,5-dihydroxy-3-(sulfooxy)cyclohex-1-ene-1-carboxylic acid | 2947.60 | 3781.28 | - | - | |
| {4-[5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-2H,8H... | 6021.45 | 8797.48 | - | - | |
| 4,6-Dinitro-O-cresol | 86352.56 | 81368.25 | - | - | |
| [4-(8-hydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-... | 15585.44 | 16438.54 | - | - | |
| 4-(8-Methyl-9H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)ben... | 348154.09 | 293709.17 | - | - | |
| 4-Acetamidobenzaldehyde | 88995.23 | 57189.76 | - | - | |
| 4-(Acetylamino)-3-methoxyphenyl hydrogen sulfate | 10137.35 | 15071.80 | - | - | |
| 4-Aminopyridine | 14324.07 | 13910.81 | - | - | |
| 4-Carboxymuconolactone | 5313.54 | 5450.14 | - | - | |
| 4-Chlorophenol | 8601.79 | 7545.82 | - | - | |
| 4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate | 5622.63 | 5117.71 | - | - | |
| 4-Guanidinobutanal | 2569.33 | 2836.54 | - | - | |
| 4-Guanidinobutyric acid | 59146.57 | 47452.07 | - | - | |
| 4^-Hydroxy-5,6,7-trimethoxyflavanone | 74524.00 | 90713.42 | - | - | |
| 4-Hydroxybenzenesulfonic acid | 1606.61 | 2103.43 | 22573.55 | 22594.26 | |
| 4-Hydroxycyclohexylcarboxylic acid | 35831.38 | 34420.46 | - | - | |
| 4-Hydroxyestradiol | 4710.11 | 3987.96 | - | - | |
| 4-Hydroxy-glutamic acid | 5251.47 | 4367.26 | - | - | |
| 4-Hydroxyisophthalic acid | 27445.60 | 27348.70 | - | - | |
| 4-(Hydroxymethyl)benzenesulfonic acid | 35665.65 | 31328.84 | - | - | |
| 4-Hydroxyquinoline | 27857.77 | 26811.95 | - | - | |
| 4-Hydroxytamoxifen | 3832.17 | 6218.63 | - | - | |
| 4-Methoxy-6-(beta-D-glucopyranosyloxy)benzofuran-5-propionic... | 21094.74 | 14399.28 | 6825.96 | 10119.94 | |
| 4-Methyl-4-aza-5-pregnene-3,20-dione | 68646.24 | 41775.28 | - | - | |
| 4-Methylesculetin | 42330.60 | 48592.17 | - | - | |
| 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol | 49784.87 | 47733.36 | 30411.58 | 29352.92 | |
| 4-Methylvaleric Acid | 5714.03 | 5771.04 | - | - | |
| 4-Nitro-3-(trifluoromethyl)aniline | 4243.55 | 4448.15 | - | - | |
| 4-(N-Maleimido)phenyltrimethylammonium iodide | 5762.95 | 9707.39 | - | - | |
| 4-Oxohex-2-enedioate | 4885.35 | 6645.54 | - | - | |
| 4-Oxoniocarbonylbenzoate | 4811.22 | 4713.52 | - | - | |
| 4-(pyridin-4-yl)-N-(m-tolyl)thiazol-2-amine | 18347.40 | 15900.57 | - | - | |
| 4-Pyridoxic acid | 14558.79 | 17401.15 | 15592.65 | 15174.60 | |
| 4-tert-Butylcalix[4]arene | 12632.67 | 12410.66 | - | - | |
| 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R... | 3744.23 | 2777.21 | 39161.84 | 39572.54 | |
| 5-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31... | 9692.00 | 10832.26 | - | - | |
| 5-(2-Fluorophenyl)furan-2-carboxylic acid | 3343.49 | 4847.94 | - | - | |
| 5-(3^-Carboxy-3^-oxopropyl)-4,6-dihydroxypicolinate | 4566.36 | 3440.55 | 1808.15 | 1660.52 | |
| 5-(3-Hydroxy-4-phenylbut-1-en-1-yl)-1-[6-(2H-tetrazol-5-yl)h... | 56364.62 | 44293.85 | - | - | |
| 5-[4-(4-Hydroxyphenyl)phenyl]benzene-1,3-diol | 7352.93 | 5732.60 | - | - | |
| 5-(5-Chloro-2,4-Dihydroxyphenyl)-N-Ethyl-4-(4-Methoxyphenyl)... | 15246.35 | 13349.96 | - | - | |
| 5,6,7,8-Tetrahydroquinolin-2(1H)-one | 85688.44 | 76873.12 | - | - | |
| 5,6-Dimethylbenzimidazole | 13229.54 | 12159.73 | - | - | |
| 5,7,3^,4^-Tetrahydroxy-6,8-dimethoxyflavone | 14261.70 | 15794.82 | - | - | |
| 5,7-Difluoro-1H-indole-2-carboxylic acid | 170789.92 | 141236.91 | - | - | |
| 5,8,11,14-Eicosatetraynoic acid | 8591.34 | 7730.86 | - | - | |
| 5,8-dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexyl)-3,7-di... | 205943.07 | 199675.45 | - | - | |
| 5,8-Epoxy-5,8-dihydro-10^-apo-b,y-carotene-3,10^-diol | 5100519.98 | 4599930.75 | 1765.23 | 1355.62 | |
| 5,8-Epoxy-5,8-dihydro-3-hydroxy-8^-apo-b,y-carotenal | 155137.63 | 134678.42 | 12806.27 | 12669.85 | |
| 5alpha-Tomatidan-3-one | 84976.40 | 80211.01 | - | - | |
| 5-amino-1-(5-phosphonato-D-ribosyl)imidazole-4-carboxylate | 7009.60 | 9043.56 | - | - | |
| 5-Aminoimidazole-4-carboxamide | 25735.73 | 24972.17 | - | - | |
| 5-Bromo-3-(2,4-dibromo-6-hydroxyphenoxy)benzene-1,2-diol | 1967.87 | 2065.15 | - | - | |
| 5-chloro-1^-[(2-fluorophenyl)methyl]-2,2^,5^-trioxo-spiro[3H... | 6467.54 | 6349.24 | - | - | |
| 5-cis-15(R)-Iloprost | 4973.77 | 4234.15 | - | - | |
| 5-HEPE | 68031.87 | 49750.40 | - | - | |
| 5-Hydroxyemedastine | 30288.46 | 20074.35 | - | - | |
| 5-Hydroxyindoleacetaldehyde | 47508.58 | 35998.09 | 4204.50 | 4358.28 | |
| 5-keto-D-gluconic acid | 107813.95 | 107232.75 | - | - | |
| 5-Methoxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-phenylpyrano[... | 9736.77 | 13384.13 | - | - | |
| 5-Methyl-4-(phenoxymethyl)isoxazole-3-carboxylic acid | 27808.77 | 25591.32 | - | - | |
| 5-Oxo-4,5-dihydro-2-furylacetic acid | 4696.81 | 4735.16 | - | - | |
| 5-Pentyltetrahydro-2-oxo-3-furancarboxylic acid | 10919.62 | 7349.79 | - | - | |
| 5-Quinoxalin-6-ylmethylene-thiazolidine-2,4-dione | 7808.80 | 7258.92 | - | - | |
| (5R)-5,8,8abeta,9-Tetrahydro-5beta-(3,4,5-trimethoxyphenyl)-... | 7345.84 | 39597.58 | - | - | |
| (5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H... | 27205.29 | 25355.57 | - | - | |
| (5Z)-5-[[4-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-th... | 19203.08 | 11563.45 | 56021.87 | 50862.79 | |
| 6,11-dihydroxy-2,2,5-trimethyl-12-(6,8,11-trihydroxy-2,2,5-t... | 5352.75 | 11647.94 | - | - | |
| 6-[2,2-Bis[di(propan-2-yl)amino]acetyl]oxy-2,3,4,5-tetrahydr... | 52269.09 | 46043.65 | - | - | |
| 6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-[3,4,5-trihydrox... | 3496.28 | 12972.73 | - | - | |
| {6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]... | 4576.10 | 4042.15 | - | - | |
| 6,7-dimethoxy-2-methylisoquinoline-1,3,4(2H)-trione | 3480.37 | 2557.10 | - | - | |
| 6,8-Difluoro-7-hydroxy-4-methylcoumarin | 42838.52 | 32593.81 | - | - | |
| (6a,11b,16a,17a)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-ox... | 26465.01 | 22691.46 | - | - | |
| 6beta-Naltrexol | 9185.90 | 9903.52 | - | - | |
| 6-Fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-4-ium-1-ylquin... | 7974.45 | 44527.53 | 245106.18 | 221333.83 | |
| 6-Hydroxynicotinic acid | 4657.93 | 6665.87 | - | - | |
| 6-Methoxy-2-naphthoic acid | 5966.59 | 8611.32 | - | - | |
| 6-Methoxy-3-methyl-2-all-trans-heptaprenylhydroquinone | 5705.84 | 5757.19 | - | - | |
| 6-phospho-5-dehydro-2-deoxy-D-gluconic acid | 2994.08 | 2437.14 | - | - | |
| 6-trans-12-epi Leukotriene B4 | 45731.47 | 37434.46 | 11350.18 | 9315.88 | |
| 7-[2-(3-Hydroxyoctyl)-5-oxopyrrolidin-1-YL]heptanoic acid | 12220.10 | 3427.38 | 29748.30 | 25615.36 | |
| 7-[2-TRIFLUOROMETHYL-4-(2-HYDROXYPHENYL)-1,3-DIOXAN-cis-5-YL... | 23285.56 | 10294.55 | 4286.53 | 4647.76 | |
| 7,7-Dimethyl-(5Z,8Z)-eicosadienoic acid | 2387.19 | 2338.63 | 63163.33 | 63336.24 | |
| 7alpha,12beta-Dihydroxy-5alpha-cholan-24-oic Acid | 197257.19 | 266257.72 | - | - | |
| 7-Hydroxyamoxapine | 247866.30 | 235592.63 | 12744.99 | 11799.87 | |
| 7-Hydroxyflavone | 26403.59 | 21464.59 | - | - | |
| 7-Hydroxymethyl-12-methylbenz[a]anthracene | 3973.42 | 4124.07 | - | - | |
| 7-Hydroxyprochlorperazine | 15879.34 | 20295.11 | - | - | |
| 7-ketolithocholic acid | 281564.32 | 298018.52 | 5383.79 | 5741.90 | |
| 7-Methylthioheptanonitrile oxide | 2881.31 | 2281.51 | - | - | |
| 7-O-(Triethylsilyl)-10-deacetyl Baccatin III | 5180.97 | 3835.06 | - | - | |
| 7-Xylosyl-10-deacetyltaxol | 3997.36 | 3814.17 | - | - | |
| 8(9)-EpETrE-EA | 92743.04 | 99777.75 | - | - | |
| 8-Anilino-1-naphthalenesulfonic acid | 7850.16 | 10430.59 | - | - | |
| 8-Cyclopentyl-1,3-dimethylxanthine | 40429.66 | 37214.55 | - | - | |
| (8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pent... | 72500.55 | 29870.09 | - | - | |
| 9,10,13-Trihydroxy-11-octadecenoic acid | 90821.85 | 50929.03 | - | - | |
| 9,10-Epoxystearic acid | 627973.81 | 603998.71 | 62767.04 | 44526.09 | |
| (9alpha,15R)-N-(1,3-Dihydroxypropan-2-yl)-9,15-dihydroxy-11-... | 11396.84 | 14523.01 | - | - | |
| 9-Demethylmunduserone | 1028763.38 | 1006034.20 | - | - | |
| [(9E)-8-Acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-di... | 4337.64 | 3298.49 | - | - | |
| 9-Fluoro-11beta-hydroxy-16alpha-methyl-pregn-4-ene-3,20-dion... | 33964.38 | 31595.30 | - | - | |
| 9-Fluoro-16-methylpregn-4-ene-3,11,20-trione, (16alpha)- | 6613.81 | 13453.53 | - | - | |
| (±)9-HpODE | 480016.89 | 427049.09 | 23141.51 | 19174.85 | |
| 9(S),12(S),13(S)-TriHOME | 273247.07 | 213741.21 | 10269.85 | 8655.86 | |
| 9(S)-HpOTrE | 78702.83 | 67137.05 | 4342.49 | 4429.93 | |
| 9-Thiastearic Acid | 181864.94 | 189190.51 | - | - | |
| Abu-Ala-OH | 22109.82 | 20955.47 | - | - | |
| Acamprosate | 38340.77 | 39037.11 | - | - | |
| Aceglutamide | 3880.46 | 5946.31 | - | - | |
| Acenocoumarol | 32939.74 | 22470.76 | - | - | |
| Acesulfame | 5090.32 | 16308.11 | - | - | |
| Acesulfame potassium | 12352.02 | 11302.38 | 2689.86 | 2857.99 | |
| Acetaminophen glucuronide | 60098.17 | 52782.89 | 4170.45 | 3821.00 | |
| Acetaminophen sulfate | 2486.20 | 2455.22 | - | - | |
| Acetic acid trans-2-hepten-1-YL ester | 2288.98 | 1747.97 | - | - | |
| Acetyl citrate | 4346.78 | 4759.94 | - | - | |
| Acitretin | 549581.67 | 506541.52 | 30419.24 | 25175.77 | |
| aclacinomycin S | 21291.18 | 23268.94 | - | - | |
| Acobioside a | 12044.47 | 11349.31 | - | - | |
| Aconitic acid | 5142.97 | 6278.65 | 4034.93 | 4208.66 | |
| Adenine | 14809.03 | 13115.15 | - | - | |
| Adenosine | 9434.94 | 7304.29 | 1727.13 | 2941.99 | |
| Adenosine-5^-phosphosulfate | 6123.71 | 15152.10 | - | - | |
| Adipic acid | 93924.90 | 85731.73 | - | - | |
| ADP-ribose | 1711.27 | 2969.56 | - | - | |
| Agomelatine | 29996.28 | 24026.44 | - | - | |
| Agrimol F | 9403.62 | 14459.01 | - | - | |
| AICA ribonucleotide | 20427.39 | 17971.58 | - | - | |
| Ala-Arg-Gly | 27524.78 | 28689.22 | - | - | |
| Ala-Asn-Asp-Asp | 4156.18 | 1936.87 | - | - | |
| Ala-Glu-Ser-Glu | 6456.58 | 13880.82 | - | - | |
| Ala-Gly | 13729.08 | 12262.79 | - | - | |
| Ala-Leu-Thr-Asp | 1248.55 | 2314.61 | - | - | |
| Ala-Lys-Leu-Asp | 21282.63 | 17586.04 | - | - | |
| Alanine glutamate | 74573.55 | 64229.88 | - | - | |
| Ala-Phe-Ile-Arg | 15372.67 | 13788.12 | 4236.19 | 4183.79 | |
| Ala-Thr | 48702.82 | 47795.40 | - | - | |
| Ala-Tyr-Glu-Asp | 164953.61 | 136485.58 | - | - | |
| Ala-Val-Lys-Arg | 337215.54 | 309800.26 | 3418.80 | 4821.51 | |
| Albiflorin | 46749.47 | 43947.31 | - | - | |
| Alendronic acid | 17437.90 | 19629.48 | - | - | |
| Alimix | 13518.05 | 10497.03 | - | - | |
| Allobarbital | 13414.57 | 15854.74 | - | - | |
| Allocholic acid | 4130183.89 | 4246988.03 | - | - | |
| All-trans-decaprenyl diphosphate(3-) | 10826.70 | 11405.55 | - | - | |
| alpha-1,5-L-Arabinotetraose | 6990.02 | 7908.21 | - | - | |
| alpha-CYANO-3-HYDROXYCINNAMIC ACID | 2613.37 | 1292.39 | - | - | |
| alpha-D-ribose 1-methylphosphonate 5-phosphate | 2342.85 | 3210.98 | - | - | |
| Alpha-d-xylopyranose | 3429.50 | 3165.42 | - | - | |
| Alpha-Ketooctanoic acid | 18186.29 | 18254.72 | - | - | |
| alpha-Muricholic acid | 147111.47 | 113923.76 | - | - | |
| Ambrisentan | 9109.73 | 6823.07 | - | - | |
| Amifostine | 7242.91 | 6787.21 | 18707.62 | 19635.40 | |
| (Aminomethyl)phosphonic acid | 39605.13 | 60188.20 | 5206.95 | 4416.88 | |
| Aminosalicylic Acid | 280623.15 | 265060.09 | - | - | |
| Ammeline | 1665.31 | 1168.93 | - | - | |
| Amobarbital | 2536.74 | 2153.86 | - | - | |
| Amsacrine | 3928.09 | 8415.32 | - | - | |
| Androst-4-ene-3,17-dione, 16beta-fluoro- | 43198.32 | 33329.04 | - | - | |
| Angolensin | 173286.74 | 143967.14 | - | - | |
| Arabinose | 3773.26 | 3522.35 | - | - | |
| Arg-Glu-Asp-Arg | 58825.91 | 52530.40 | - | - | |
| Arg-Ile-Tyr | 16301.30 | 31919.72 | - | - | |
| Arginylasparagine | 37640.05 | 33056.47 | - | - | |
| Arg-Lys-Arg-Ala-Arg-Lys-Glu | 5077.13 | 4374.55 | - | - | |
| Arg-Lys-Arg-Ser-Arg-Lys-Glu | 7030.14 | 3576.07 | - | - | |
| Arg-Met | 8018.64 | 7475.69 | - | - | |
| arjunglucoside I | 27593.59 | 34330.74 | - | - | |
| Arvanil | 464058.44 | 434589.61 | 89583.49 | 85619.17 | |
| Ascochitine | 5921.37 | 4923.82 | - | - | |
| Asiatic acid | 722741.76 | 681951.30 | - | - | |
| Asn-Arg-Gln-Lys | 25760.82 | 22231.01 | - | - | |
| Asn-Arg-Glu-Ser-Leu | 26388.55 | 27658.18 | - | - | |
| Asn-Glu-Lys | 17257.45 | 18028.27 | - | - | |
| Asn-Glu-Thr-Glu | 6772.99 | 8598.06 | - | - | |
| Asn-Leu | 25372.70 | 18965.01 | - | - | |
| Asn-Phe-His-Asp | 25634.23 | 20059.75 | - | - | |
| Asn-Thr | 25697.05 | 22604.45 | - | - | |
| Asn-Tyr-Glu-Asp | 3100.37 | 1576.53 | 102132.99 | 114736.92 | |
| Asn-Val-Glu-Glu | 13692.48 | 18056.57 | - | - | |
| Asparagylalanine | 2130.60 | 2203.46 | - | - | |
| Aspartylasparagine | 27075.37 | 27893.58 | 168406.42 | 218722.05 | |
| Aspergillomarasmine A | 21044.33 | 18248.73 | - | - | |
| Asp-Gln-Ala-Asp | 14003.22 | 12457.40 | 37721.46 | 59763.60 | |
| Asp-Ile-Ala-Lys | 55028.12 | 47442.83 | - | - | |
| Asp-TyrMe-OH | 79767.07 | 64434.26 | - | - | |
| Asp-Val | 57416.12 | 56614.98 | - | - | |
| Atipamezole | 132480.46 | 142029.95 | - | - | |
| Austrobailignan 1 | 21087.53 | 18758.28 | 44340.71 | 42257.59 | |
| Avenanthramide C | 13322.02 | 11001.54 | - | - | |
| Avermectin A1a aglycone | 25104.94 | 18986.38 | - | - | |
| Avermectin B2b aglycone | 64972.18 | 55534.46 | - | - | |
| Avermectin B2b monosaccharide | 13906.46 | 12420.57 | - | - | |
| Azatadine | 41624.43 | 38868.88 | - | - | |
| Bacampicillin | 27855.30 | 16880.01 | - | - | |
| Bacterioruberin | 14407.41 | 16757.24 | - | - | |
| Baicalein | 18772.52 | 14832.05 | - | - | |
| Barbamide | 5789.29 | 6355.38 | - | - | |
| Barbital | 5019.77 | 4540.89 | - | - | |
| Batrachotoxin | 162694.71 | 158084.79 | - | - | |
| BayCysLT2 | 27035.38 | 16495.11 | - | - | |
| Bazedoxifene HCl | 236589.81 | 207002.69 | 6797.08 | 6720.11 | |
| Benzamide | 3549.04 | 3440.28 | - | - | |
| Benzquinamide | 51561.40 | 67397.14 | - | - | |
| Benzylamine | 40110.66 | 41682.36 | - | - | |
| Benzyl cetraxate | 400778.13 | 527773.98 | - | - | |
| Bergenin | 39766.52 | 58918.64 | - | - | |
| beta-D-Galp-(1->3)-D-GalpNAc | 21816.95 | 16925.36 | 43515.49 | 39461.46 | |
| beta-L-fucose 1-phosphate | 13970.21 | 19161.94 | - | - | |
| Bila 2185BS | 133479.55 | 87671.66 | - | - | |
| Bimatoprost | 15110.12 | 13461.06 | - | - | |
| Biopterin | 18576.04 | 18477.65 | - | - | |
| Biosone | 1627711.90 | 1502727.40 | - | - | |
| Bis[1-[(1E,3E,5Z)-1,3,5-heptatrienyl]-8-(2,3-dihydroxyphenyl... | 323889.97 | 304247.90 | - | - | |
| Bis(7-hydroxyheptyl) icosanedioate | 9833.42 | 6948.58 | - | - | |
| Bisacurone epoxide | 212511.62 | 197898.73 | - | - | |
| Bisacutifolone C | 378432.03 | 281658.30 | - | - | |
| Bis(glutathionyl)spermine disulfide | 4008.87 | 4704.84 | - | - | |
| Bisindolylmaleimide IV | 17071.84 | 10163.08 | - | - | |
| Bisphenol A bis(2-hydroxypropyl) ether | 3486.71 | 7249.26 | - | - | |
| Bortezomib | 5442.92 | 5247.64 | - | - | |
| Boscalid | 22945.05 | 23222.13 | - | - | |
| Bosutinib | 8955.40 | 15970.54 | - | - | |
| Brassicanal B | 4935.48 | 5065.98 | 113954.54 | 114301.56 | |
| Brexpiprazole | 20221.48 | 20318.00 | - | - | |
| Brigatinib (AP26113) | 4783.94 | 3607.12 | 24048.53 | 19308.84 | |
| Bromopride | 115351.77 | 85972.57 | 9082.22 | 7313.20 | |
| Bronopol | 44934.54 | 62072.15 | - | - | |
| Bucharaine | 4940.27 | 4582.53 | - | - | |
| Bufalin | 40238.96 | 38469.33 | - | - | |
| Bumetanide | 99013.77 | 95468.44 | - | - | |
| Butamifos | 14897.57 | 18531.52 | - | - | |
| Butyrate | 23598.60 | 22992.26 | - | - | |
| Buxamine E | 7778.68 | 6234.20 | - | - | |
| BW-245C | 985290.30 | 874381.86 | - | - | |
| Caffeic acid | 22057.32 | 19372.30 | - | - | |
| Calcifediol | 9775.95 | 9738.84 | - | - | |
| Calcium carbimide | 6873.82 | 7204.09 | - | - | |
| Canrenone | 1257352.92 | 1397485.97 | 119778.24 | 92643.17 | |
| Cardamonin | 44109.28 | 22060.39 | - | - | |
| Cardiopetalidine | 11518.71 | 6668.01 | - | - | |
| Carnosine | 41192.45 | 31407.45 | - | - | |
| Carprofen | 2177.43 | 2761.18 | - | - | |
| Cavipetin C | 126669.22 | 110749.94 | - | - | |
| Cefroxadine | 14103.97 | 14010.99 | - | - | |
| Cephalomannine | 2119.00 | 2146.86 | 2271.60 | 2726.39 | |
| Chalcomoracin | 15546.41 | 46700.37 | - | - | |
| Chelidonic acid | 11814.99 | 13116.14 | - | - | |
| Chlamydospordiol | 7106.48 | 6293.12 | - | - | |
| Chlorobenzene | 10011.21 | 8309.89 | - | - | |
| Chlorogenic acid quinone | 23356.40 | 13071.43 | - | - | |
| Chloroquine | 11741.61 | 13693.18 | - | - | |
| Cholic acid | 439960.80 | 389472.11 | 9206.92 | 7635.30 | |
| Chorismic acid | 2597.68 | 2871.42 | 6844.81 | 6492.20 | |
| Chymostatin | 13223.51 | 8704.01 | - | - | |
| Cimetidine | 11628.63 | 9400.72 | - | - | |
| C.I. Pigment Red 149 | 25118.36 | 18349.19 | - | - | |
| cis-2-Hydroxypenta-2,4-dienoic acid | 3891.87 | 3302.58 | - | - | |
| Cis-8,11,14,17-Eicosatetraenoic acid | 133910.56 | 138947.12 | 900412.89 | 759047.03 | |
| cis,cis-Muconic acid | 9749.40 | 9650.29 | - | - | |
| cis-EODA | 2672435.71 | 2572476.59 | 54341.93 | 35446.08 | |
| Citbrasine | 1313139.00 | 1079702.67 | - | - | |
| Clavaldehyde | 816602.39 | 800296.59 | - | - | |
| Clionamide | 5287.87 | 4595.86 | - | - | |
| Clobetasol propionate | 6668.22 | 3656.57 | 33718.63 | 42550.21 | |
| Clopidogrel | 71228.07 | 80788.89 | - | - | |
| Clopidol | 10195.87 | 9374.96 | - | - | |
| Corchorifatty acid F | 269832.61 | 172447.86 | 9359.69 | 11063.49 | |
| Corydaline | 10460.56 | 10242.65 | - | - | |
| Coumestrol | 11117.56 | 10454.91 | - | - | |
| Creatinine | 11292.79 | 10048.38 | 24284.93 | 19759.40 | |
| Crenulatoside A | 111920.24 | 75421.93 | - | - | |
| Cromolyn | 11950.36 | 11304.48 | - | - | |
| Cucumopine | 5102.14 | 5286.03 | - | - | |
| Cucurbitacin I | 92924.90 | 94473.22 | 8943.19 | 9677.86 | |
| Cyclamic acid | 5609.12 | 4905.39 | - | - | |
| cyclic ADP-ribose | 2334.13 | 2006.85 | 24675.80 | 27025.30 | |
| Cycloastradiol | 4681.41 | 4161.82 | - | - | |
| Cycloxydim | 25970.88 | 24674.70 | - | - | |
| Cystathionine | 14503.46 | 13334.93 | - | - | |
| Cysteinyl-Arginine | 42429.35 | 40678.62 | - | - | |
| Cysteylalanine | 111798.88 | 130746.75 | - | - | |
| Cys-Trp | 36749.43 | 21649.06 | 3871.93 | 3896.71 | |
| cytidine monophosphate N-acetylneuraminic acid | 5372.96 | 5771.88 | - | - | |
| D-4-Hydroxyphenylglycine | 5375.19 | 5643.19 | - | - | |
| Daminozide | 225533.36 | 185126.67 | - | - | |
| DAN-1 EE | 25558.95 | 22519.23 | - | - | |
| D-Arabinose | 24478.21 | 24087.03 | 37555.01 | 37469.41 | |
| Dasatinib | 6394.61 | 8911.82 | - | - | |
| Decitabine | 128090.98 | 115841.52 | - | - | |
| Decoside | 8798.15 | 8061.12 | - | - | |
| Dehydro-L-(+)-ascorbic acid dimer | 1988.36 | 1854.09 | - | - | |
| Delphinidin 3-glucoside | 11395.19 | 12776.90 | - | - | |
| delta-Tocotrienol | 693176.49 | 596653.17 | - | - | |
| Deoxycholic acid | 4238913.93 | 3908345.52 | 7063.57 | 6997.51 | |
| Deoxysappanone B 7,3^-dimethyl ether | 371897.82 | 441958.02 | - | - | |
| D-Erythroascorbic acid 1^-a-D-glucoside | 4446.46 | 3955.46 | - | - | |
| Desbutyllumefantrine | 3003.09 | 6698.21 | - | - | |
| Desmethylmaprotiline | 4185.69 | 3727.90 | - | - | |
| D-Fructose | 4658.64 | 3664.64 | - | - | |
| DG(15:0/18:3(9Z,12Z,15Z)/0:0) | 4170.92 | 4138.79 | - | - | |
| DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0) | 4255.75 | 2943.64 | - | - | |
| DG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) | 16175.63 | 12349.08 | - | - | |
| DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) | 11898.11 | 13056.27 | - | - | |
| Dialifor | 2058.73 | 3006.97 | - | - | |
| Dibutyl phthalate | 21988.20 | 21995.47 | - | - | |
| Dicamba | 2345.26 | 2382.04 | - | - | |
| Dicyclohexyl phthalate | 4153.15 | 3588.77 | - | - | |
| Diflubenzuron | 44072.97 | 36037.36 | - | - | |
| Digalacturonate | 34588.31 | 25252.68 | - | - | |
| Dimethylarsinic acid | 9157.14 | 11487.37 | - | - | |
| Dimethylstilbestrol | 9567.13 | 11049.87 | - | - | |
| Dimethyl telluride | 2118.91 | 1402.08 | 91518.83 | 94856.25 | |
| Dimethylthiambutene | 7990.33 | 5684.35 | - | - | |
| Diphenhydramine | 135924.86 | 150816.47 | - | - | |
| Disodium 2-hydroxypentanedioate | 59606.70 | 66319.30 | - | - | |
| dl-Alanyl-dl-leucine | 10534.93 | 10546.88 | - | - | |
| DL-Carbidopa | 767554.22 | 1037390.11 | - | - | |
| DL-Glyceraldehyde 3-Phosphate | 4151.31 | 4310.38 | - | - | |
| DL-Methionine | 6184.82 | 7493.69 | - | - | |
| D-Methionine | 3033.43 | 4213.19 | - | - | |
| Docosanoic acid, 1-[[(1-oxooctadecyl)oxy]methyl]-2-(phosphon... | 13043.53 | 11124.15 | - | - | |
| Dodecanedioic Acid | 1527703.87 | 1510824.62 | 1762.46 | 2152.66 | |
| Dopamine | 47007.75 | 40372.13 | - | - | |
| D-phenylalanine | 232283.48 | 219979.09 | 14455.96 | 17513.84 | |
| D-Phenylalanine | 17283.24 | 17569.84 | 14455.96 | 17513.84 | |
| D-Quinovose | 14764.55 | 14120.35 | 2524.45 | 2169.14 | |
| D-Ribose | 6238.22 | 5544.09 | 3349.08 | 3155.81 | |
| D-Ribulose 1,5-bisphosphate | 3861.29 | 3701.41 | - | - | |
| dTDP-beta-L-evernosamine | 2802.15 | 769.71 | - | - | |
| dTDP-N-hydroxy-beta-L-evernosamine | 1416.26 | 484.41 | - | - | |
| D-Xylulose 5-phosphate | 22641.99 | 21224.93 | 4137.24 | 5276.63 | |
| (E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic aci... | 5411.97 | 5276.80 | - | - | |
| Edaravone | 26491.51 | 27880.62 | - | - | |
| Edoxudine | 40863.29 | 38548.10 | - | - | |
| (E)-Ethyl 3-(4-hydroxyphenyl)acrylate | 177927.14 | 154264.00 | - | - | |
| Egtazic acid | 114859.54 | 121605.00 | - | - | |
| Egualen sodium | 5487.22 | 5113.27 | - | - | |
| Enalapril | 14697.04 | 11245.92 | 21351.03 | 18352.54 | |
| Entacapone | 143691.43 | 112210.90 | - | - | |
| Entecavir | 47141.40 | 41677.96 | - | - | |
| Ephedrine | 21415.51 | 21386.29 | - | - | |
| Epigallocatechin | 18340.04 | 17911.77 | 2389.23 | 2552.82 | |
| Epinephrine | 249912.53 | 211808.28 | - | - | |
| Epitulipinolide diepoxide | 2111.28 | 6224.95 | - | - | |
| Eprodisate disodium | 8705.82 | 7863.22 | - | - | |
| Eriocarpin | 2076.25 | 1360.05 | - | - | |
| Erythritol | 56022.63 | 53623.96 | 4559.53 | 4302.15 | |
| (E)-S-1-Propenyl thiosulfate | 6874.32 | 6318.55 | 16263.32 | 15162.88 | |
| Estra-1,3,5(10),7-tetraene-3,17alpha-diol | 5339.03 | 6096.13 | - | - | |
| Estradiol acetate | 11026.99 | 9747.96 | - | - | |
| Estradiol cypionate | 4807711.75 | 4466166.77 | - | - | |
| Etamsylate | 7774.87 | 8095.02 | - | - | |
| Ethanone, 1-(2-methyl-1-cyclopenten-1-yl)- | 27107.34 | 26509.37 | - | - | |
| Ethephon | 2393.28 | 6147.83 | - | - | |
| Ethosuximide | 31829.36 | 24159.23 | - | - | |
| Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate | 8584.11 | 25044.49 | - | - | |
| Ethylene brassylate | 92658.51 | 113760.86 | - | - | |
| Ethylparaben | 71047.35 | 65550.93 | - | - | |
| Exalamide | 47334.91 | 52286.70 | - | - | |
| FAA(17:1) | 154275.65 | 141450.27 | - | - | |
| Farnesyl diphosphate | 1902.05 | 1886.11 | - | - | |
| FD And C Green No. 1 | 2386.38 | 674.91 | 4192.95 | 4042.48 | |
| Fenaminosulf | 9849.05 | 10161.20 | - | - | |
| Fenhexamid | 1822.09 | 3648.72 | - | - | |
| Ferulic acid | 115285.76 | 115182.91 | 4443.41 | 4413.11 | |
| Feudomycin A | 9219.30 | 11748.79 | - | - | |
| FFA(12:1) | 20677.04 | 19752.47 | - | - | |
| FFA(13:0) | 40910.93 | 34508.64 | - | - | |
| FFA(16:0) | 1356036.74 | 1423886.39 | 12461.27 | 10127.48 | |
| FFA(17:0) | 148395.35 | 119047.68 | 15251.58 | 13008.45 | |
| FFA(17:1) | 20845.17 | 19930.87 | - | - | |
| FFA(18:2) | 3046114.98 | 2943475.68 | 25338.92 | 27866.25 | |
| Flindersine | 290266.36 | 240207.98 | - | - | |
| Floctafenine | 9835.91 | 6414.75 | 21514.60 | 20112.95 | |
| Fluazifop | 22912.29 | 29388.16 | - | - | |
| Fluconazole | 39030.47 | 26854.16 | - | - | |
| Flunixin | 17595.60 | 17285.92 | - | - | |
| Fluorouracil | 39191.67 | 116983.13 | - | - | |
| Fluoxymesterone | 134209.86 | 87476.75 | - | - | |
| Flutamide | 10569.74 | 11184.52 | - | - | |
| Formoterol | 1189.86 | 1014.54 | 4942.68 | 5702.93 | |
| Fosfocreatinine | 3977.62 | 4232.10 | - | - | |
| Fosfomycin calcium | 11381.44 | 52718.49 | - | - | |
| Frovatriptan | 7697.30 | 13878.47 | - | - | |
| Fructose | 129720.25 | 131793.56 | 3132.08 | 2780.93 | |
| Furfural diacetal | 3589.17 | 8583.48 | - | - | |
| Gaboxadol | 38106.78 | 36314.10 | - | - | |
| Gal1-4Gal1-4GlcNacSp | 47754.79 | 90181.65 | - | - | |
| gamma-Glutamylcysteine | 9977.44 | 7865.06 | 4781.29 | 5218.88 | |
| gamma-Glutamylglutamate | 7981.27 | 11863.95 | - | - | |
| gamma-Glutamylglutamine | 14774.07 | 12618.43 | - | - | |
| Gangetin | 38465.15 | 23831.85 | - | - | |
| Ganodermic acid TQ | 30675.68 | 25429.37 | - | - | |
| Garcinone C | 8967.30 | 10216.81 | - | - | |
| Gastrodin | 233087.45 | 223972.76 | - | - | |
| Gemcitabine | 68318.43 | 57722.87 | 5182.99 | 4722.96 | |
| Genipin 1-gentiobioside | 173309.79 | 167694.63 | - | - | |
| Geniposide | 47128.43 | 41230.10 | - | - | |
| Geranic acid | 598700.97 | 508479.14 | - | - | |
| Geranylgeranyl diphosphate | 61276.62 | 66537.70 | - | - | |
| Gestrinone | 16277.09 | 13870.29 | - | - | |
| Gibberellin A14 | 1530832.26 | 1504427.39 | - | - | |
| Gibberellin A34-catabolite | 5666.75 | 6118.05 | - | - | |
| Gibberellin A53 | 1816557.68 | 2292984.23 | - | - | |
| Gibberellin A79 | 116776.04 | 112495.31 | 7870.70 | 8376.87 | |
| Ginsenoside Rh2 | 62763.07 | 61298.14 | - | - | |
| Girgensonine | 41479.70 | 36498.85 | - | - | |
| Glaziovina | 5446.35 | 5546.26 | - | - | |
| Gln-Asn | 9018.07 | 9017.20 | - | - | |
| Gln-Gln | 113290.36 | 96024.65 | - | - | |
| Gln-Gln-Glu | 27814.01 | 19540.00 | - | - | |
| Gln-Phe-Glu-Lys | 2573.98 | 2455.57 | - | - | |
| Glu-Ala | 10768.44 | 11036.44 | - | - | |
| Glu-Asn-Lys-Asp | 40570.63 | 47339.33 | - | - | |
| Glucobrassicanapin | 71675.45 | 57687.94 | - | - | |
| Glucofrangulin A | 1610.12 | 1003.82 | - | - | |
| Gluconic Acid | 8371.25 | 12853.06 | - | - | |
| Glucose | 50003.27 | 53350.09 | 242880.06 | 248955.51 | |
| Glu-His | 25507.97 | 22313.01 | 10470.18 | 9862.61 | |
| Glu-Lys | 7747.30 | 11177.77 | - | - | |
| Glu-Phe | 14100.00 | 17973.77 | 22630.71 | 22399.87 | |
| Glutamine | 9123.02 | 9633.51 | 13676.88 | 15914.02 | |
| Glutaminylproline | 50260.20 | 36607.95 | - | - | |
| Glutamylasparagine | 14768.27 | 12904.45 | - | - | |
| Glu-Thr-His-Glu | 115003.16 | 86475.29 | 261263.41 | 240417.55 | |
| Glu-Val | 89754.90 | 89694.26 | - | - | |
| Gly-Ala-Pro-Met-Phe-Val-NH2 | 130060.39 | 108358.82 | - | - | |
| Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate 3-O-[al... | 28294.14 | 26023.51 | 11343.84 | 7821.43 | |
| Glycochenodeoxycholate (1-) | 148769.86 | 93981.61 | - | - | |
| Glycoursodeoxycholic acid | 46113.82 | 45183.17 | 2268.12 | 2413.17 | |
| Glycylglycine | 8339.02 | 7645.60 | - | - | |
| Glycyl-L-tyrosine | 19127.62 | 16088.67 | - | - | |
| Glycylmethionine | 2837.17 | 1617.50 | - | - | |
| Glyphosate | 34473.62 | 34362.27 | - | - | |
| Goyaglycoside g | 18686.86 | 12271.76 | - | - | |
| Goyaglycoside h | 33178.29 | 38644.75 | - | - | |
| Guanine | 14447.68 | 12768.50 | 20839.65 | 15739.07 | |
| GW-9662-d5 | 21489.05 | 21077.85 | - | - | |
| Halcinonide | 23252.46 | 17031.87 | 630051.89 | 644131.43 | |
| Halofenozide | 217419.41 | 219584.57 | - | - | |
| h-d-Tyr-otbu | 8013.87 | 8397.60 | - | - | |
| Heptanoic acid | 32809.24 | 31840.82 | - | - | |
| Hexacosanoyl carnitine | 19106.97 | 18969.53 | - | - | |
| Hexanoylglycine | 52006.23 | 60889.40 | - | - | |
| Hippuric acid, o-methoxy-, methyl ester | 351326.69 | 308952.95 | - | - | |
| His-Phe-Glu-Asp | 3766.04 | 3743.94 | - | - | |
| Homocitrulline | 163749.47 | 149009.83 | - | - | |
| HoPhe-Abu-OH | 16869.64 | 23968.72 | 11685.75 | 11153.61 | |
| Hovenidulcioside A2 | 27424.45 | 25328.63 | - | - | |
| H-Trp-ser-OH | 11370.26 | 10756.56 | 15068.82 | 15779.71 | |
| Hydantoin-5-propionic acid | 9037.40 | 5722.50 | - | - | |
| Hydramethylnon | 7601.96 | 8742.44 | 11959.36 | 10880.48 | |
| Hydroxy-beta-cyclocitral | 1705.25 | 3296.79 | - | - | |
| Hydroxybuprenorphine | 12636.72 | 15323.50 | - | - | |
| Hydroxychlorobactene glucoside | 248334.43 | 246484.23 | - | - | |
| Hydroxyspheroidenone | 171568.05 | 167480.05 | - | - | |
| Hydroxyzine | 19382.21 | 16100.29 | - | - | |
| Hyp-Ile | 1054673.54 | 951579.27 | - | - | |
| Hypoxanthine | 172133.44 | 164256.99 | 4189.56 | 5165.36 | |
| Icilin | 2161.69 | 1382.65 | - | - | |
| Ile-Asp-Lys-Lys | 104523.95 | 79575.49 | - | - | |
| Ile-Phe | 144022.46 | 131637.67 | - | - | |
| Ile-Phe-Gln-Glu | 2953.62 | 2190.13 | - | - | |
| Ile-Phe-Val-Lys | 48497.01 | 38544.22 | 3936.09 | 5187.46 | |
| Iliren | 15325.02 | 13216.97 | - | - | |
| Imidazoleacetic acid | 4653.45 | 4301.22 | - | - | |
| Indirubin-3^-monoxime | 12692.78 | 10909.29 | 2756.58 | 3321.16 | |
| Indol-3-yl sodium phosphate | 4977.52 | 6327.96 | - | - | |
| Indole-3-acetamide | 5366.41 | 5670.07 | - | - | |
| Indole-5-carboxylic acid | 6214.77 | 13162.25 | - | - | |
| Indolizine,6,7,8-tetrahydroxy-, (1S,6R,7S,8R)- | 9168.42 | 8666.85 | - | - | |
| Indoxyl sulfate | 41390.51 | 27337.63 | 11601.56 | 8738.25 | |
| Inosine diphosphate | 3359.78 | 6122.21 | - | - | |
| Inositol | 12648.76 | 12898.77 | 13957.72 | 13730.75 | |
| inositol-1-phospho-N-(2-hydroxyhexacosanoyl)-4R-hydroxysphin... | 12217.24 | 9882.89 | - | - | |
| Isatin | 21564.47 | 19824.89 | - | - | |
| Isobutyric acid | 37294.09 | 35355.78 | - | - | |
| Isodeoxycholic acid | 1043187.65 | 1188229.29 | - | - | |
| Isoeugenol | 2504.54 | 3348.09 | - | - | |
| Isoguvacine | 1537.59 | 1890.13 | 10370.16 | 10247.84 | |
| Isoliquiritigenin | 35606.99 | 20638.53 | - | - | |
| Isomaltulose | 17720.27 | 12853.52 | 74027.04 | 111044.32 | |
| Isopentenyladenine | 5371.49 | 4855.58 | - | - | |
| (-)-Isopiperitenone | 59503.38 | 58743.78 | - | - | |
| Isoproterenol | 17829.69 | 14716.09 | - | - | |
| Isoquercitrin | 12711.46 | 13437.09 | - | - | |
| Isotanshinone II | 13028.58 | 9830.14 | - | - | |
| Jasmonic acid | 15892.80 | 15893.47 | - | - | |
| JWH 007-d9 | 35033.13 | 26804.31 | - | - | |
| Kainic acid | 14145.79 | 11620.61 | - | - | |
| Keto-Deoxy-Nonulonic acid | 19588.80 | 16837.90 | 3643.70 | 4093.77 | |
| Labd-13-en-8alpha-,15 diol | 107533.43 | 109089.46 | - | - | |
| Lactose | 15037.78 | 10706.42 | 234194.51 | 246511.03 | |
| L-Alanine | 19275.42 | 17835.00 | - | - | |
| Lansine | 16660.10 | 16475.56 | - | - | |
| Laricitrin 3-glucoside | 9166.92 | 6686.69 | - | - | |
| L-Asparagine, N-[2-(acetylamino)-2-deoxy-beta-D-glucopyranos... | 14785.41 | 15364.76 | - | - | |
| L-Aspartic acid | 36109.70 | 42057.08 | - | - | |
| L-Carnitine | 1694.84 | 2233.90 | 45169.35 | 49764.73 | |
| L-cystathionine | 9709.84 | 8760.52 | 73476.12 | 73347.38 | |
| L-cysteinyl-L-proline | 3060.96 | 3440.62 | 1284585.36 | 1255192.86 | |
| Leonurine | 4921.10 | 5261.20 | - | - | |
| Lestaurtinib | 3842.18 | 3493.98 | - | - | |
| Letermovir | 4572.75 | 3054.19 | - | - | |
| Leu-Ala-Arg | 17956.13 | 17221.09 | - | - | |
| Leu-Arg-Leu | 61923.80 | 63702.61 | 3843.85 | 4048.79 | |
| Leu-Gln-Ile-Arg | 71577.96 | 70478.39 | - | - | |
| Leu-Ile-Tyr-Thr-Asn | 88549.75 | 84527.09 | - | - | |
| Leu-Lys | 7113.42 | 6167.86 | - | - | |
| Leu-Thr-Ser-Lys | 3885.14 | 2663.11 | - | - | |
| Leu-Tyr-Gln-Glu | 47218.09 | 64695.16 | - | - | |
| Leu-Tyr-Ser-Lys-Ser | 182184.67 | 166696.60 | - | - | |
| L-Fucose | 13891.70 | 10884.36 | - | - | |
| L-Galactonic acid | 5544.72 | 3140.68 | 1930.90 | 2350.49 | |
| L-Gulonolactone | 36294.26 | 42097.29 | 9902.22 | 10426.96 | |
| L-Homoarginine | 5428.90 | 7340.65 | - | - | |
| L-Homocysteic acid | 7686.54 | 6827.61 | - | - | |
| L-Iditol | 16391.05 | 14693.85 | - | - | |
| Linezolid | 4940.78 | 6882.03 | - | - | |
| Lipoamide | 14624.45 | 14373.32 | - | - | |
| L-isoleucyl-L-asparagine | 28861.01 | 23948.14 | - | - | |
| Lithocholic acid | 393777.17 | 348225.24 | 77785.07 | 78056.30 | |
| Lithospermoside | 13437.50 | 13817.43 | - | - | |
| L-lyxose | 38342.98 | 35608.64 | - | - | |
| l-Menthol | 3519.08 | 3096.71 | - | - | |
| L-N5-(1-Imino-3-pentenyl) ornithine | 3407.25 | 3734.87 | - | - | |
| L-Naspa | 20523.50 | 18543.03 | - | - | |
| Lobeline | 33348.47 | 47248.85 | - | - | |
| Lolicine B | 5834.76 | 5517.38 | - | - | |
| Lombricine | 1839.42 | 3376.13 | - | - | |
| Lonidamine | 1791.35 | 804.12 | - | - | |
| LPC(0:0/22:5) | 26646.00 | 29820.54 | - | - | |
| LPE(18:1/0:0) | 77540.76 | 66110.88 | 171423.84 | 188971.99 | |
| LPE(20:5/0:0) | 26875.20 | 24408.36 | - | - | |
| L-Saccharopine | 52245.53 | 50899.85 | - | - | |
| L-Stercobilinogen | 171930.91 | 91640.47 | 1523.89 | 2089.30 | |
| L-Theanine | 5574.70 | 4987.55 | - | - | |
| L-Thyronine | 6778.16 | 4826.37 | - | - | |
| L-Tyrosine | 93909.92 | 88493.89 | 17893.82 | 21133.35 | |
| L-Tyrosyl-L-Threonine | 279232.74 | 259050.25 | 24436.66 | 26473.34 | |
| Lubiprostone | 1036633.51 | 872535.71 | - | - | |
| Lycoricidine | 12852.63 | 9505.79 | - | - | |
| Lys-Gly-Asp-Ser | 63910.16 | 51892.23 | - | - | |
| Lys-Lys-Leu-Phe-Tyr | 4535.51 | 5407.54 | - | - | |
| Lys-Nap-OH | 4501.14 | 5499.61 | - | - | |
| Lys-Thr | 5445.97 | 4107.14 | - | - | |
| Lys-Thr-Ser-Asp | 4581.27 | 3968.07 | - | - | |
| Lysyl-Isoleucine | 9641.92 | 9014.78 | - | - | |
| Macrocarpal C | 6775.51 | 8414.08 | - | - | |
| Magnolol | 31773.73 | 27214.74 | - | - | |
| Maleic hydrazide | 50218.27 | 52466.59 | 22129.23 | 25166.83 | |
| Malic acid | 161522.85 | 151015.68 | 10401.09 | 16398.47 | |
| Malonic acid | 3302.45 | 3015.54 | 5864.86 | 4326.74 | |
| Maltitol | 9282.13 | 12005.76 | 26292.92 | 23238.80 | |
| Maltotriose | 16191.69 | 13867.69 | 12210.29 | 12813.61 | |
| Mancinellin | 16017.64 | 16422.09 | - | - | |
| Mandelonitrile | 7790.43 | 5867.53 | - | - | |
| Mannitol | 35512.47 | 26385.25 | 11610.93 | 9334.44 | |
| Mannose 1-phosphate | 2999.99 | 3439.38 | - | - | |
| Margrapine A | 5053.76 | 5096.15 | - | - | |
| Marmesin | 9460.76 | 9894.93 | - | - | |
| m-Cresol | 12986.85 | 13307.42 | - | - | |
| Mebhydrolin | 10678.71 | 11001.22 | - | - | |
| Mefenamic acid | 158708.90 | 186112.13 | - | - | |
| Melatonin | 15247.80 | 23279.43 | 9974.20 | 12557.60 | |
| Melibiose | 52646.95 | 55998.67 | 283479.19 | 351534.08 | |
| Melilotocarpan C | 41826.14 | 38365.39 | - | - | |
| Melphalan | 75421.03 | 52498.76 | - | - | |
| Metamitron | 28719.63 | 26843.21 | - | - | |
| Methotrexate | 15252.66 | 10630.41 | - | - | |
| Methyl 2-hydroxybenzoate | 7153.82 | 6528.25 | - | - | |
| Methyl dihydrogen phosphate | 1831.10 | 3314.90 | - | - | |
| Methyldiphenylphosphine oxide | 6826.32 | 5389.72 | - | - | |
| Methylmercury chloride | 2818.88 | 3666.96 | - | - | |
| Methylpyrazine | 9734.23 | 11265.42 | - | - | |
| Met-Leu-Arg-Ala-Ala | 28508.15 | 25162.53 | - | - | |
| Met-Thr | 4616.11 | 4884.32 | - | - | |
| Minaprine | 1997783.01 | 1939956.80 | - | - | |
| Modafinil | 12841.15 | 12995.74 | - | - | |
| Morellinol | 5631.74 | 5863.25 | - | - | |
| Morphine | 2511.09 | 3503.39 | - | - | |
| Mucronine D | 13747.51 | 13805.85 | - | - | |
| Mytatrienediol | 8429.87 | 7112.60 | - | - | |
| N-(1-Deoxy-1-fructosyl)tyrosine | 5582.31 | 4126.77 | 52757.57 | 60483.17 | |
| N-(2-methyl-3-chloro-5-hydroxyphenyl)anthranilic acid | 60920.35 | 55391.52 | - | - | |
| N-(2-Oxotetrahydrofuran-3-YL)octanamide | 20255.24 | 17642.55 | - | - | |
| N2-Tryptophyllysine | 196983.76 | 186289.74 | - | - | |
| N-(3-Chlorophenyl)-6,7-dimethoxyquinazolin-4-amine | 11596.17 | 8835.24 | - | - | |
| N-(3-Hydroxypropyl)phthalimide | 8920.20 | 9261.36 | - | - | |
| N-3-oxo-hexadec-11(Z)-enoyl-L-Homoserine lactone | 7361.11 | 6187.84 | - | - | |
| N-[(3S)-2-oxothiolan-3-yl]butanamide | 2231.74 | 2264.32 | - | - | |
| N-[(3S)-Tetrahydro-2-oxo-3-furanyl]octadecanamide | 114457.16 | 101321.03 | 8496.64 | 8211.00 | |
| N-(4-(1H-1,2,3-triazol-1-yl)benzyl)-2-(2-isopropylphenyl)-5-... | 15043.57 | 20915.00 | - | - | |
| Nabumetone | 6125.00 | 4595.38 | - | - | |
| N-Acetyglutamic acid | 286436.16 | 294118.99 | - | - | |
| N-Acetyl-L-alanine | 9380.07 | 9068.67 | 3067.72 | 3585.03 | |
| N-Acetylleucine | 30715.33 | 28363.68 | - | - | |
| N-Acetyl-L-tryptophanamide | 43607.65 | 37933.95 | - | - | |
| N-Acetylneuraminic Acid(SA) | 333986.45 | 304386.78 | - | - | |
| N-Acetylproline | 89124.43 | 82907.33 | - | - | |
| N-Acetylthreonine | 10636.40 | 16695.00 | - | - | |
| N-(Adamant-1-yl)-6-isopropyl-4-oxo-1-pentyl-1,4-dihydroquino... | 52211.38 | 47172.17 | - | - | |
| Nalidixic acid | 4459.56 | 4776.77 | 1649.57 | 2235.68 | |
| N-Alpha-acetyllysine | 12591.17 | 13581.13 | - | - | |
| Naphthalene-2,6-disulfonic acid | 5760.35 | 8415.45 | - | - | |
| N-Arachidonoyl-L-Alanine | 362512.00 | 388448.81 | - | - | |
| N-Arachidonoyl-L-Serine | 90497.68 | 84907.53 | 5681.19 | 5546.90 | |
| Naringin dihydrochalcone | 4357.25 | 3463.14 | - | - | |
| Nateglinide | 17343.32 | 16239.68 | - | - | |
| N-(benzenesulfonyl)-2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoi... | 19479.18 | 19385.23 | - | - | |
| NCGC00169728-02_C16H22N2O4_N-Acetylphenylalanylvaline | 3972.34 | 2428.50 | - | - | |
| NCGC00380859-01_C20H26O5_(5xi,6alpha,7beta)-6,11,12-Trihydro... | 3336.73 | 2711.00 | - | - | |
| NCGC00384613-01_C25H40O5_(5beta,8alpha,9beta,10alpha,13alpha... | 47403.83 | 41569.57 | - | - | |
| N-(dodecanoyl)-sphing-4-enine-1-phosphocholine | 544777.54 | 549083.11 | - | - | |
| Neoacrimarine J | 10535.91 | 13040.05 | - | - | |
| (-)-Neplanocin A | 11280.41 | 8217.56 | - | - | |
| N-ethyl-2-formylhydrazinecarbothioamide | 5265.16 | 4759.13 | - | - | |
| N-Ethyl-9alpha, 11alpha, 15S-trihydroxy-prosta-5Z, 13E-dien-... | 13344.60 | 11481.36 | - | - | |
| N-ethylene glycol neuraminic acid | 191380.48 | 164905.63 | - | - | |
| N-Formylmethionine | 29205.90 | 33258.42 | - | - | |
| N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | 1951.22 | 1946.92 | - | - | |
| Nicotinic acid adenine dinucleotide | 10164.86 | 8797.86 | 16797.61 | 21194.22 | |
| Nidifidienol | 32146.92 | 39068.91 | 5353.52 | 4316.66 | |
| Niflumic acid | 15795.58 | 22844.53 | - | - | |
| Nitroxoline | 138571.09 | 143031.82 | - | - | |
| N-methyl-L-glutamic Acid | 4972.75 | 4735.58 | - | - | |
| N,N^-(acridine-3,6-diyl)diacetamide | 140121.72 | 207307.52 | - | - | |
| N,N-Dimethyl-L-histidine | 10378.07 | 7797.75 | - | - | |
| Nocodazole | 51734.24 | 48308.32 | - | - | |
| Nonivamide | 21364.70 | 24579.98 | - | - | |
| Nordihydrocapsiate | 634011.17 | 579277.73 | 154576.86 | 152271.27 | |
| Norfloxacin | 29853.21 | 37374.54 | 11813.45 | 11803.54 | |
| nor-NOHA | 18648.99 | 30140.59 | - | - | |
| Norpropoxyphene carbinol | 40081.23 | 37912.22 | - | - | |
| Noscapine | 16644.74 | 6931.85 | - | - | |
| Nostocyclopeptide A1 | 78894.88 | 71162.33 | - | - | |
| N-phenylbiphenyl-4-carboxamide | 6081.46 | 6209.09 | - | - | |
| N-Propionylglycine | 5874.38 | 5130.89 | - | - | |
| Nylidrin | 3089.44 | 1184.09 | - | - | |
| Occidentoside | 8083.95 | 4446.23 | - | - | |
| Octyl formate | 3579.74 | 3103.42 | - | - | |
| Oglufanide | 17803.60 | 10127.05 | - | - | |
| Oleandolide | 3290.21 | 2615.74 | - | - | |
| Oleic Acid-biotin | 191657.22 | 228873.55 | - | - | |
| Olivacine | 2616.57 | 4402.69 | - | - | |
| O-Phospho-DL-threonine | 3033.72 | 6274.40 | - | - | |
| O-phospho-L-threonine | 31657.10 | 31535.40 | - | - | |
| O-Phospho-L-tyrosine | 5898.81 | 5323.30 | 5039.15 | 6240.60 | |
| Orotic acid | 24720.66 | 30369.98 | 8425.01 | 9741.32 | |
| O-succinylcarnitine | 51633.91 | 46572.83 | - | - | |
| Oxaprozin | 37568.01 | 46940.74 | - | - | |
| Oxiglutatione | 16447.47 | 16535.03 | - | - | |
| Oxopurpureine | 39911.10 | 47662.87 | - | - | |
| Ozagrel hydrochloride | 7849.86 | 6869.78 | - | - | |
| PA(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) | 23730.30 | 19596.11 | - | - | |
| PA(22:0/22:4(7Z,10Z,13Z,16Z)) | 8981.46 | 8213.91 | 36435.50 | 36441.21 | |
| Pachyrrhizone | 47706.33 | 31583.67 | 1477.05 | 1531.84 | |
| Palmitoleoyl 3-carbacyclic Phosphatidic Acid | 7476.22 | 7748.15 | - | - | |
| p-Aminobenzoic acid | 26874.03 | 28593.05 | 4014.86 | 3202.27 | |
| Paromamine | 127117.46 | 119532.50 | - | - | |
| Paucin | 104038.49 | 93050.63 | - | - | |
| PC(15:0/20:4(5Z,8Z,11Z,14Z)) | 7710.63 | 9480.18 | - | - | |
| PC(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 6347.77 | 7858.54 | - | - | |
| PC(22:2(13Z,16Z)/24:1(15Z)) | 8939.06 | 7343.67 | - | - | |
| PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 18550.39 | 20933.45 | - | - | |
| PC(DiMe(11,5)/DiMe(13,5)) | 13413.96 | 13060.43 | - | - | |
| PC(P-18:0/22:4(7Z,10Z,13Z,16Z)) | 4404.13 | 5082.65 | - | - | |
| P-Dichlorobenzene | 24024.75 | 21379.89 | - | - | |
| Pelargonic acid | 12133.49 | 12873.48 | - | - | |
| Pelargonidin | 7342.90 | 7358.71 | - | - | |
| Pemetrexed | 96792.23 | 96383.28 | - | - | |
| Peniciside | 57187.68 | 48385.15 | - | - | |
| Pentadecanoic acid | 381741.24 | 360698.18 | - | - | |
| Pentobarbital | 3233.40 | 2978.43 | - | - | |
| Peonidin chloride | 3312.21 | 5117.94 | - | - | |
| Perillic acid | 162887.22 | 161828.91 | - | - | |
| PG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) | 13655.36 | 19432.84 | - | - | |
| PG(18:0/22:4(7Z,10Z,13Z,16Z)) | 21158.80 | 19802.18 | - | - | |
| PGF3α | 132769.51 | 115185.86 | - | - | |
| Phe-Asp-Arg | 22662.46 | 18842.35 | - | - | |
| Phenazocine | 9509.81 | 9758.12 | - | - | |
| Phenindione | 10669.30 | 9753.91 | - | - | |
| Phenylacetone | 6685.19 | 6194.57 | - | - | |
| Phenylalanylglycylarginine | 506759.35 | 399584.64 | - | - | |
| Phenylalanylserine | 826076.95 | 739591.40 | - | - | |
| Phenyl dihydrogen phosphate | 3318.73 | 3377.07 | - | - | |
| Phe-Ser-Leu-Phe-Asp | 9000.61 | 5829.78 | - | - | |
| Phe-Ser-Tyr-Asp | 75479.12 | 61229.98 | - | - | |
| Phe-Trp-Leu | 10692.76 | 11125.54 | - | - | |
| Phlorizin | 5770.12 | 4634.21 | - | - | |
| Phosphatidylinositol(18:1/18:1) | 17179.52 | 20236.32 | - | - | |
| Phosphoric acid | 42479.52 | 51924.19 | 30792.68 | 33119.55 | |
| Phosphoserine | 3595.18 | 1879.54 | - | - | |
| Phthalic acid | 33708.75 | 29556.81 | - | - | |
| Phytolaccasaponin G | 2053.71 | 2264.35 | - | - | |
| Pimelic Diphenylamide 106 | 51648.11 | 42182.81 | 3580.65 | 3148.97 | |
| Pinolenic acid | 20671.98 | 13355.12 | 7257.47 | 6126.65 | |
| Pipecolic acid | 12444.79 | 11484.75 | - | - | |
| Pivalic acid | 8589.39 | 8472.45 | - | - | |
| p-Lactophenetide | 3844.59 | 3096.58 | - | - | |
| Platensimycin | 28980.80 | 30979.77 | - | - | |
| PM-toxin B | 960191.52 | 890845.79 | - | - | |
| Polyoxin B | 4055.73 | 1852.05 | - | - | |
| Porphobilinogen | 1043411.20 | 906461.27 | - | - | |
| Portulacaxanthin I | 12813.15 | 22473.52 | - | - | |
| Potassium bicarbonate | 3321.33 | 4019.49 | - | - | |
| Practolol | 12743.43 | 9981.93 | - | - | |
| Prednisolone acetate | 12690.65 | 8622.34 | - | - | |
| Prenalterol | 35168.56 | 28118.81 | - | - | |
| Pretetramid | 4236.54 | 4320.06 | - | - | |
| Primidone | 28870.73 | 32353.69 | - | - | |
| Pro-Glu-Leu-Ala-Lys | 313517.29 | 240113.04 | 4023.51 | 4076.53 | |
| Propanoyl phosphate | 22888.40 | 15093.75 | - | - | |
| Propionic acid | 23122.61 | 22625.00 | - | - | |
| Propionic acid, 2-amino-3-ureido- | 11614.75 | 11280.30 | - | - | |
| Prostaglandin F2alpha methyl ester | 883083.74 | 849804.74 | - | - | |
| Prostaglandin F2 Ethanolamide-d4 | 5944.60 | 5865.25 | - | - | |
| Prostaglandin K1 | 896315.12 | 831657.80 | 14985.54 | 10452.58 | |
| Prostratin | 42564.08 | 47433.34 | - | - | |
| Protionamide | 30223.40 | 30130.18 | - | - | |
| Protoaescigenin | 51677.47 | 36190.99 | - | - | |
| PS(22:0/22:4(7Z,10Z,13Z,16Z)) | 14872.08 | 15361.02 | - | - | |
| PS(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) | 13767.69 | 16293.22 | - | - | |
| PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) | 7970.60 | 6225.41 | - | - | |
| PS(DiMe(11,3)/MonoMe(11,5)) | 23768.53 | 19473.94 | - | - | |
| Pseudouridine | 129227.15 | 134829.96 | 8745.74 | 7269.14 | |
| PtdIns-(5)-P1(1,2-dioctanoyl) | 27936.11 | 30767.31 | - | - | |
| Pterin | 10550.84 | 6056.48 | - | - | |
| p-Toluenesulfonic acid | 25852.26 | 30601.08 | - | - | |
| p-Toluenesulfonic acid monohydrate | 2129.06 | 4816.72 | - | - | |
| Purine | 28356.24 | 26557.70 | 4334.66 | 3471.02 | |
| Purpurin | 22864.60 | 19577.07 | - | - | |
| Pyridoxal hydrochloride | 16646.87 | 16158.94 | - | - | |
| Pyridoxamine phosphate | 5306.47 | 6644.12 | - | - | |
| Pyriftalid | 3269.46 | 1962.80 | - | - | |
| Pyritinol | 31356.26 | 24480.16 | - | - | |
| Pyrophosphate | 32322.78 | 34215.24 | - | - | |
| Quadrigemine A | 10755.11 | 9377.28 | - | - | |
| Queuosineueuosine | 15615.87 | 11647.29 | - | - | |
| Quinmerac | 5725.12 | 6404.02 | - | - | |
| Quinoline-4-carboxylic acid | 4308.72 | 5396.99 | - | - | |
| Quinovic acid 3-O-(6-deoxyglucoside) 28-O-glucosyl ester | 4612.36 | 2709.85 | - | - | |
| Ractopamine hydrochloride | 21052.80 | 14955.54 | - | - | |
| Radafaxine | 19133.41 | 16728.07 | - | - | |
| RA-Xix | 31201.26 | 20456.78 | - | - | |
| (R)-dihydrolipoic acid | 34452.58 | 25588.11 | - | - | |
| Rhein | 41203.45 | 39960.33 | 72690.51 | 71558.27 | |
| Rhodovibrin | 34753.13 | 31402.45 | - | - | |
| Ribonolactone | 30950.96 | 36498.39 | 12129.64 | 10347.34 | |
| Ribose-1-phosphate | 10048.59 | 9049.97 | - | - | |
| Rifamycin | 10719.01 | 9146.44 | - | - | |
| Rifamycin W | 119500.19 | 103510.80 | - | - | |
| Rifamycin W-hemiacetal | 9341.36 | 10279.01 | - | - | |
| Riluzole | 19984.70 | 17743.59 | - | - | |
| (R)-Naproxen | 19471.27 | 21046.18 | 3860.61 | 4181.21 | |
| Robinin | 4255.20 | 7797.72 | - | - | |
| Robustine | 3266.54 | 2723.17 | - | - | |
| Rotenonic acid | 11209.69 | 9914.14 | - | - | |
| (Rs)-Mevalonic Acid | 9170.46 | 8959.22 | - | - | |
| Rubitecan | 40021.50 | 39971.29 | - | - | |
| Rugulosin | 2540.13 | 2213.38 | 3490.13 | 4131.31 | |
| Rutaecarpine | 11806.65 | 8051.45 | - | - | |
| (S)-2-Azetidinecarboxylic acid | 31794.61 | 30496.82 | 3661.07 | 2674.35 | |
| (S)-2-O-sulfolactic acid | 2522.42 | 1794.00 | - | - | |
| (S)-3,7-Dimethyl-1,6-octadiene | 50739.18 | 47395.20 | - | - | |
| (S)-3-Hydroxyisobutyric acid | 6107.82 | 7083.76 | - | - | |
| Saccharin | 4663.87 | 9093.23 | - | - | |
| Saikosaponin BK1 | 4069.07 | 3552.97 | - | - | |
| Salicin | 4942.50 | 4164.74 | - | - | |
| Salidroside | 74231.94 | 53618.08 | - | - | |
| Samandarone | 28001.44 | 23604.97 | - | - | |
| Santonine, oxime | 1605.59 | 2149.51 | - | - | |
| Sapropterin | 199932.62 | 155893.64 | - | - | |
| Saroglitazar | 11116.00 | 10315.81 | - | - | |
| (S)-Atpa | 4630.54 | 4028.95 | - | - | |
| Secoisolariciresinol diglucoside | 35945.00 | 55882.83 | - | - | |
| Secophenol | 1573.77 | 2562.58 | - | - | |
| Ser-Glu-Tyr-Glu | 2379.05 | 2325.26 | - | - | |
| Ser-Ile-Asn-Lys | 2975.15 | 3065.72 | - | - | |
| Ser-Trp | 15136.69 | 15558.21 | - | - | |
| Ser-Tyr-Asp-Glu | 44319.83 | 36470.26 | - | - | |
| Ser-Val-Asn-Glu | 28970.50 | 19574.96 | - | - | |
| Serylthreonine | 33683.15 | 32176.48 | 10733.66 | 11722.81 | |
| Silibinin | 24795.20 | 36880.90 | 14709.70 | 15766.43 | |
| Silymonin | 26475.51 | 31451.62 | - | - | |
| Siphonol B | 16451.20 | 14932.14 | - | - | |
| (S)-Mevalonic acid-5-pyrophosphate | 18024.98 | 19881.17 | - | - | |
| S-Nitroso-N-acetyl-DL-penicillamine | 5444.57 | 4308.16 | - | - | |
| Sophoraisoflavanone A | 8838.42 | 8496.15 | - | - | |
| Sorbitan | 13626.97 | 13561.45 | - | - | |
| Sotalol hydrochloride | 165196.01 | 146491.91 | - | - | |
| Sphinganine 1-phosphate | 16362.97 | 17138.56 | - | - | |
| Sphingosine-1-phosphocholine | 501977.93 | 436721.48 | - | - | |
| spiperone | 327978.59 | 298519.67 | - | - | |
| Squamocin L | 39045.56 | 32447.90 | - | - | |
| S-Sulfo-L-Cysteine | 6330.54 | 7280.40 | - | - | |
| Stachyose | 5630.01 | 5299.42 | 157408.72 | 159537.27 | |
| Stanozolol | 180013.95 | 177495.84 | 9355.96 | 6483.23 | |
| Stearyl citrate | 23431.60 | 24011.37 | - | - | |
| Streptomycin 6-phosphate | 110575.45 | 96046.46 | - | - | |
| Streptothricin F | 9202.88 | 7466.39 | - | - | |
| Suberic acid | 111801.75 | 107461.11 | 5273.89 | 4965.27 | |
| Suberylglycine | 12423.56 | 10873.73 | 8691.44 | 8421.47 | |
| Sulfacetamide | 1722.87 | 3070.33 | - | - | |
| Sulfaguanidine | 3755.08 | 3688.12 | - | - | |
| Sulfamethoxypyridazine | 2414.04 | 2811.21 | - | - | |
| Sulfanilic acid | 4153.52 | 3706.69 | - | - | |
| Sulfapyridine | 14371.37 | 11804.87 | - | - | |
| Sulfathiazole | 107438.05 | 110672.53 | - | - | |
| Sulfisomidine | 82214.77 | 87598.70 | - | - | |
| Sulfoacetic acid | 5562.62 | 6536.70 | - | - | |
| Suxibuzone | 105019.35 | 66782.80 | - | - | |
| Syringetin-3-o-glucoside | 4873.75 | 5485.83 | - | - | |
| Tafluprost acid | 339469.16 | 308255.76 | - | - | |
| Tamibarotene | 96518.14 | 107975.53 | - | - | |
| Tasimelteon | 25630.42 | 29950.62 | - | - | |
| Taurine | 6422.87 | 5895.63 | 11267.85 | 10243.26 | |
| Taurocyamine | 3566.45 | 5438.38 | 42375.11 | 41402.66 | |
| Tebufenpyrad | 23933.81 | 18423.54 | - | - | |
| Terbacil | 12291.77 | 3688.69 | - | - | |
| Terephthalic acid | 15336.13 | 17916.90 | - | - | |
| tetracenomycin F1 methyl ester | 5437.62 | 4035.53 | - | - | |
| Tetracycline | 134576.02 | 145689.03 | - | - | |
| Tetrahydrofurfuryl acetate | 30367.77 | 24902.68 | - | - | |
| Tetrahydropapaveroline | 27393.76 | 23555.89 | - | - | |
| tetranor-PGDM-d6 | 33386.49 | 32029.14 | - | - | |
| Tetraphyllin B | 12161.59 | 9450.54 | - | - | |
| TG(14:0/14:1(9Z)/14:1(9Z)) | 11621.63 | 11713.14 | - | - | |
| TG(14:1(9Z)/14:1(9Z)/16:1(9Z)) | 6506.53 | 5524.51 | - | - | |
| TG(15:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 29063.16 | 26746.01 | - | - | |
| TG(15:0/20:1(11Z)/20:1(11Z)) | 13812.67 | 22262.32 | - | - | |
| TG(15:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) | 4858.57 | 4460.16 | - | - | |
| TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) | 27052.22 | 25742.01 | - | - | |
| TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,1... | 38379.03 | 37363.96 | - | - | |
| TG(18:3(9Z,12Z,15Z)/14:0/18:3(9Z,12Z,15Z)) | 23841.84 | 29889.29 | - | - | |
| TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)... | 4958.94 | 3371.95 | - | - | |
| TG(20:2n6/20:1(11Z)/18:3(9Z,12Z,15Z)) | 4537.35 | 3167.88 | - | - | |
| Thermozeaxanthin-15 | 11850.17 | 5618.63 | - | - | |
| Thiabendazole | 10124.13 | 10192.76 | 5329.62 | 6162.20 | |
| Thiocyclam | 1755.23 | 1094.42 | - | - | |
| Thiodiglycolic acid | 6264.59 | 5914.53 | - | - | |
| Thionalide | 15070.86 | 13498.50 | - | - | |
| Thiopental | 7425.01 | 18198.61 | - | - | |
| Thonzylamine | 466901.74 | 384016.86 | - | - | |
| THOS Streptonigrin | 14209.05 | 14659.96 | - | - | |
| Thr-Asn-Ile-Asp | 1899.81 | 3219.58 | - | - | |
| Thr-Asp | 44446.46 | 37027.47 | - | - | |
| Thr-Lys-Gln-Lys | 27574.70 | 20278.75 | 11726.84 | 7716.78 | |
| Thrombin Receptor Activator for Peptide 5 (TRAP-5) | 13773.11 | 13786.32 | - | - | |
| Thr-Ser-Phe-Asp | 3611.89 | 4467.15 | - | - | |
| Thymidine | 105764.56 | 99541.36 | 7949.24 | 6717.70 | |
| Thymidine-5^-phosphate | 5464.88 | 5889.51 | - | - | |
| Thymine | 50973.40 | 51520.02 | - | - | |
| Thyroxine sulfate | 30966.33 | 26102.36 | - | - | |
| Tiapride | 191361.76 | 167406.63 | - | - | |
| Ticlopidine N-Oxide | 15633.15 | 14446.28 | - | - | |
| Tiglylglycine | 394712.47 | 364295.40 | - | - | |
| Tolfenamic acid | 27017.11 | 29480.91 | - | - | |
| Tolmetin sodium dihydrate | 10637.22 | 15419.25 | - | - | |
| Toluene | 27949.37 | 33862.43 | - | - | |
| Totarol-19-carboxylic acid | 3271.97 | 4817.22 | - | - | |
| Tovophyllin B | 23873.36 | 31545.20 | - | - | |
| trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide | 57602.94 | 76719.77 | - | - | |
| trans-2-Octenoic acid | 5101.87 | 4845.60 | - | - | |
| trans-4-Nonenal | 9991.08 | 8600.02 | - | - | |
| trans-Anol | 12520.06 | 20658.95 | 4112.49 | 4342.49 | |
| Trehalose | 51062.47 | 39678.77 | 1144511.17 | 994409.02 | |
| trichostatin A | 12851.00 | 14586.85 | - | - | |
| Tricyclazole | 30944.14 | 27457.43 | - | - | |
| Trilinolein | 19287.16 | 20986.39 | - | - | |
| Triptophenolide | 590537.81 | 559006.98 | 35916.60 | 29432.22 | |
| Tropisetron | 127444.74 | 136991.50 | - | - | |
| Tucidinostat | 150483.18 | 135000.79 | - | - | |
| Turanose | 21342.14 | 10911.54 | 234697.36 | 228521.06 | |
| Tyr-Asn-Gln-Asp | 5280.82 | 13881.44 | 5023.04 | 6084.85 | |
| Tyr-Glu-Gln-Asp | 12830.89 | 18552.39 | - | - | |
| TyrMe-Abu-OH | 3188.70 | 3445.67 | - | - | |
| Tyr-Met-OH | 12371.71 | 11641.99 | 5533.08 | 5430.01 | |
| TyrMe-TyrMe-OH | 209097.50 | 189763.58 | - | - | |
| Tyr-Nap-OH | 26377.88 | 9742.14 | - | - | |
| Tyr-Phe4Cl-OH | 6978.07 | 4486.96 | - | - | |
| Tyrphostin A51 | 8861.93 | 7167.94 | - | - | |
| Tyr-Tyr-Arg | 7346.58 | 4890.46 | - | - | |
| UDP-N-acetylmuraminate | 1827.22 | 2083.47 | - | - | |
| Undeca-2-ene-8,10-diynoic acid isobutylamide | 145618.04 | 132363.73 | - | - | |
| Undecylenic acid | 1048330.39 | 975581.15 | - | - | |
| Undecylprodigiosin | 108150.67 | 235915.49 | - | - | |
| Unii-27F71M186X | 175097.43 | 165221.02 | - | - | |
| Unii-974utb4yau | 8871.78 | 8440.70 | - | - | |
| Uric acid | 18875.88 | 21263.11 | - | - | |
| Uridine | 45849.91 | 49343.88 | 11032.64 | 9960.11 | |
| Uridine-5^-monophosphate | 5913.31 | 4839.97 | 5498.46 | 7933.92 | |
| Uridine-diphosphate-N-acetylglucosamine | 13607.95 | 14736.81 | 3772.25 | 3831.75 | |
| Uvaricin | 8062.89 | 3953.94 | - | - | |
| Val-Ala-Ser-Asp | 14034.07 | 12834.11 | - | - | |
| Val-Asn-Leu-Pro-Ile | 92269.94 | 67062.84 | - | - | |
| Val-Asp | 61635.02 | 60011.08 | 125670.22 | 130262.47 | |
| Valeric acid | 43898.47 | 42453.09 | - | - | |
| Val-Gln | 171904.46 | 146595.61 | 10996.97 | 11146.80 | |
| Val-HoPhe-OH | 529889.64 | 510885.93 | - | - | |
| Valproic acid | 29567.11 | 24435.37 | - | - | |
| Valylcysteine | 4028.10 | 5948.93 | - | - | |
| Velloquercetin | 12259.72 | 12160.46 | - | - | |
| Verimol J | 1805843.21 | 1723971.44 | - | - | |
| Vicenistatin | 3723.15 | 2991.55 | - | - | |
| Vicianin | 6180.72 | 7830.35 | - | - | |
| Vinaginsenoside R11 | 34635.49 | 27538.52 | - | - | |
| Xanthochymuside | 8948.17 | 7741.89 | - | - | |
| Xanthosine | 122447.20 | 103003.90 | - | - | |
| Xanthurenic acid | 3120.10 | 2338.00 | 9305.76 | 8756.36 | |
| Xanthurenic acid 8-methyl ether | 358528.10 | 302757.77 | - | - | |
| xi-7-Hydroxyhexadecanedioic acid | 142358.13 | 121042.22 | - | - | |
| Xylitol | 17434.63 | 16016.61 | 6498.88 | 6749.60 | |
| Xylose | 66018.01 | 64029.13 | - | - | |
| Yuzu-Lactone | 50408.88 | 58797.05 | 37596.76 | 35975.90 | |
| (Z)-(4-hydroxyphenyl)acetaldehyde oxime | 7535.20 | 5878.48 | - | - | |
| (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-[3-... | 6061.04 | 5682.32 | - | - | |
| (Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)... | 1943.29 | 1201.75 | - | - | |
| Z-Ala-Asn-OH | 9663.79 | 9678.40 | - | - | |
| Zaltoprofen | 4388.41 | 6086.75 | - | - | |
| (Z)-N-[5-[5-[(3aS,4R,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothien... | 5622.64 | 5112.55 | - | - | |
| Zoledronic acid | 4371.09 | 4240.65 | - | - | |
| Zonisamide | 37839.22 | 45154.99 | - | - | |
| Zoxazolamine | 44320.25 | 43831.24 | - | - | |
| Zuclopenthixol | 11528.96 | 8420.99 | - | - | |
| α-Ketoglutaric Acid (α-KG) | 80995.59 | 84834.55 | 8838.27 | 9500.07 |
Factors:
| F1 | Sample source:QC | Factor:QC |
| F2 | Sample source:Swine feces | Factor:Non Heat |
| F3 | Sample source:Swine milk | Factor:Heat |
| F4 | Sample source:Swine milk | Factor:Non Heat |
