Data for (Study ST004389)

(Analysis AN007334)

Values for each metabolite have been scaled by dividing by the mean across all factors

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MetaboliteF1F2F3F4
10-Hydroxycamptothecin 1.2220 0.9734 NA NA
1-(11Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 0.7754 1.0270 NA NA
1-[18-Hydroxyoeoyl]-2-[18-hydroxy-lioleoyl]-sn-glycerol 3-phosphate 1.0928 1.2141 0.3467 0.2962
11beta-PGF2alpha-EA 1.1246 0.9850 NA NA
11b-Prostaglandin F2a-d4 1.1442 0.9827 NA NA
11-Dehydrocorticosterone 1.0016 0.9998 NA NA
1-(1-Propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea 1.0673 1.0028 1.0211 0.8990
1-(1Z-hexadecenyl)-2-docosanoyl-glycero-3-phosphocholine 0.5912 1.0491 NA NA
1-(1Z-octadecenyl)-2-docosanoyl-glycero-3-phosphoethanolamine 1.2140 0.9743 NA NA
12,14-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid 0.9893 1.0013 NA NA
1-(2,4-Dimethyl-1,3-oxazol-5-yl)ethan-1-one 1.0781 0.9906 NA NA
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone 1.0548 0.9934 NA NA
1-(2-Adamantyl)-3-butylthiourea 0.8190 1.0217 NA NA
12-Deoxyaklanonic acid 0.8610 1.0167 NA NA
1,2-Didocosanoyl-sn-glycero-3-phosphoserine 0.7686 1.0278 NA NA
1,2-Dierucoyl-sn-glycero-3-phosphocholine 0.7231 1.0332 NA NA
1,2-Di-O-(8-hexadecenoyl)-3-O-(6-sulfoquinovopyranosyl)glycerol 1.1619 0.9806 NA NA
12-Hydroxy-6-epi-albrassitriol 1.1433 0.9828 NA NA
12-Hydroxydodecanoic acid 1.2267 0.9728 NA NA
12-Hydroxystearic acid 1.3034 1.2793 0.0568 0.0476
12-Ketolithocholic acid 1.4438 1.2654 0.0043 0.0041
13,14-dihydro-15-keto-tetranor Prostaglandin E2 1.2247 0.7214 1.7653 1.7420
1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid 1.1557 0.9813 NA NA
1,3,7-Trimethyluric acid 0.9634 1.0044 NA NA
1,3-dihydroxy-N-methylacridone 0.7669 1.0280 NA NA
14,15-Leukotriene E4 1.2415 0.9710 NA NA
1,4-Dimethyl-7-ethylazulene 1.0308 0.9963 NA NA
14-Methyldelphinifoline 1.1610 0.9807 NA NA
(14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol 0.9310 1.0083 NA NA
1-[(4-Tert-butylphenyl)sulfonyl]piperazine 0.8721 1.0153 NA NA
1-[5-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]ethanone 1.0767 0.9908 NA NA
15,18-Ethano-3,25-methano-16,4-benzoxaazacyclotricosine-1,5,17,21,26(4H,18H)-pentone, 10,11,12,13,14,15-hexahydro-11,13,22,24,27-pentahydroxy-6,10,12,14,20,23,28-heptamethyl-, (10S,11S,12R,13S,14S)- 0.3763 0.5074 3.0102 2.3103
1-(5-Aminopentyl)guanidine 1.2156 0.9741 NA NA
1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methylpiperazine 0.9861 1.0017 NA NA
16,16-dimethylprostaglandin E2 1.1583 0.9810 NA NA
1,6-Anhydro-N-acetyl-beta-muramate 0.9850 1.0018 NA NA
16-phenyl tetranor Prostaglandin E2 1.1237 0.9852 NA NA
16-Phenyl tetranor prostaglandin F2alpha 1.1085 0.9870 NA NA
1,6-Pyrenedione 2.0404 0.8752 NA NA
17|A-Carboxy-17|A-formyloxy Dexamethasone 0.6868 1.0376 NA NA
17alpha-Estradiol 0.8937 1.0128 NA NA
17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol 1.0817 0.9902 NA NA
17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one 1.1245 0.9851 NA NA
17-keto-7(Z),10(Z),13(Z),15(E),19(Z)-Docosapentaenoic Acid 0.9676 1.0039 NA NA
17-phenoxy trinor PGF2 ethyl amide 1.0950 0.9886 NA NA
17-phenyl trinor Prostaglandin D2 1.2147 0.9742 NA NA
19-Hydroxyandrost-4-ene-3,17-dione 0.9380 1.0074 NA NA
1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol) 0.8994 1.0121 NA NA
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 1.0219 0.7618 1.9391 1.4961
1-Acetylproline 0.9360 1.0077 NA NA
1-Aci-nitro-2-(4-hydroxyphenyl)ethane 0.9548 1.0054 NA NA
1-(Ammoniomethyl)cycloheaxaneacetate 1.0009 0.9999 NA NA
1-(beta-d-Glucopyranosyloxy)-3-octanone 0.9427 1.0069 NA NA
1-butyl-3-methyl-1H-imidazol-3-ium 1.0082 0.9990 NA NA
1-deoxy-D-xylulose 5-phosphate 1.3056 0.9633 NA NA
1-Docosanoyl-2-eicosanoyl-glycero-3-phosphoserine 1.1063 0.9872 NA NA
1-Docosanoyl-2-octadecanoyl-glycero-3-phosphoserine 1.1022 0.9877 NA NA
1-Eicosanoyl-2-tetradecanoyl-glycero-3-phosphoserine 1.1510 0.9819 NA NA
1H,10H-Pyrrolo(1,2-c)purine-9,10,10-triol, 2-amino-3a,4,5,6,8,9-hexahydro-5-hydroxy-4-(hydroxymethyl)-6-imino-, 9-(hydrogen sulfate), (3aS,4R,9R,10aS)- 1.2862 0.9657 NA NA
1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine 0.7527 1.0411 0.8468 1.0893
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoserine 1.2290 0.9725 NA NA
1-Hydroxy-2-naphthoate 0.6903 1.3142 0.1835 0.1501
1-Hydroxyanthraquinone 0.7112 1.0347 NA NA
1-Linoleoyl-3-arachidonoyl-sn-glycerol 1.0779 0.9907 NA NA
1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one 1.0128 0.9985 NA NA
1-Methyladenosine 0.9076 1.2347 0.3276 0.3315
1-Methylimidazolidine-2-thione 0.8329 1.0200 NA NA
1-Methyluric acid 0.3377 0.2900 3.5275 3.1661
1-Methylxanthine 1.0778 1.1864 0.4251 0.3969
1,N(2)-Propanodeoxyguanosine 1.0002 1.0000 NA NA
1-O-Acetylbritannilactone 1.0854 0.9898 NA NA
1-Octadecanoyl-2-hexadecanoyl-glycero-3-phospho-(1^-myo-inositol) 1.4112 0.9507 NA NA
1-Octadecyl Lysophosphatidic Acid 1.3861 1.2851 0.0056 0.0061
1-Oleoyl-sn-glycero-3-phosphate(2-) 1.1028 0.9877 NA NA
1-Oxazolo[4,5-b]pyridin-2-yl-9-octadecyn-1-one 1.3792 1.2873 0.0018 0.0013
1-Palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine 0.5566 0.7265 1.6294 2.6556
1-pentadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycerol 1.0871 0.9895 NA NA
1-Phenyl-1,2-propanedione 1.0376 0.9955 NA NA
1-Phenyl-3-(pyridin-2-ylmethyl)thiourea 1.1477 0.9823 NA NA
(1R,2R)-3-chlorocyclohexa-3,5-diene-1,2-diol 0.9302 1.0084 NA NA
(1R,2R,5R,8R,9S,10R,12S)-12-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid 1.5160 1.0476 0.7123 0.6192
(1R,2S,4S,6R,7S,8R,9S,12S,13R,18S,19S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-19-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-one 1.3242 0.9611 NA NA
(1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid 1.1037 0.9876 NA NA
(1^R)-Nepetalic acid 0.6630 1.0404 NA NA
(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol 1.1177 0.9859 NA NA
[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] dodecanoate 0.9575 1.0051 NA NA
(1S,4aS,12aS)-3-carbamoyl-1-(dimethylammonio)-4a,6,7-trihydroxy-11-methyl-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate 1.4484 0.9462 NA NA
(1S,6S,7R)-6,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid 2.4833 0.8220 NA NA
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine 0.5732 0.4365 2.7706 2.9377
1-Stearoylglycerophosphoserine 0.3800 0.2333 3.4264 3.6467
1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 1.3499 0.9580 NA NA
1-tetradecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphocholine 1.3567 0.9572 NA NA
20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol 0.8708 1.0155 NA NA
21-Deoxycortisol 1.1492 0.9821 NA NA
21-Deoxycortisone 1.0418 0.9950 NA NA
2-(1-methyl-1H-imidazol-4-yl)acetic acid 1.0328 0.9961 NA NA
2-(2,6-dihydroxy-4-{6-hydroxy-7-[(2E)-3-methyl-4-(sulfooxy)but-2-en-1-yl]-1-benzofuran-2-yl}phenyl)-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid 1.0264 0.9968 NA NA
2,2-Dimethylbutyric acid 1.0309 0.9963 NA NA
2,2-Dimethylsuccinic acid 1.0619 0.9926 NA NA
2,2^-Dipyridylamine 1.0143 0.9983 NA NA
2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one 1.3833 0.9540 NA NA
2-[3-(2-Hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol 0.9845 1.0019 NA NA
2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one 1.0785 0.9906 NA NA
2-(3,4-Dimethoxybenzamido)thiophene-3-carboxamide 1.2395 0.9713 NA NA
2,3,4^-Trihydroxy-4-methoxybenzophenone 1.1080 0.9870 NA NA
2,3-Benzofluorene 1.1203 0.9856 NA NA
2,3-bis-O-phytanyl-sn-glycerol 1-phosphate(2-) 0.9592 1.0049 NA NA
2,3-Dimethoxyphenol 0.8736 1.0152 NA NA
2,3-dinor-8-iso Prostaglandin F2α 1.4783 0.9426 NA NA
2,3-Diphenylquinoxaline-6-carboxylic acid 1.0883 0.9894 NA NA
2-[3-hydroxy-2-methoxy-4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol 1.2775 0.9667 NA NA
2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine 1.0774 0.9907 NA NA
2,4,5-Trihydroxytoluene 0.9433 1.0068 NA NA
2,4-Diamino-6-hydroxypyrimidine 0.9050 1.0114 NA NA
2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,6,7-tetrol 1.2492 0.9701 NA NA
2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one 1.0702 0.9916 NA NA
2,4-Quinolinediol 1.7213 0.9134 NA NA
2^,5^-Dichloro-2-hydroxybiphenyl 1.0364 0.9956 NA NA
2^,5^-Dichlorobiphenyl-3-ol 1.3368 0.9596 NA NA
(25R)-Delta(4)-dafachronic acid 1.0826 0.9901 NA NA
(25S)-Delta(7)-dafachronic acid 1.4203 1.2567 0.0792 0.0776
2,6-Dimethylphenol 0.8731 1.0152 NA NA
2,7-Dihydroxy-5-methyl-1-naphthoic acid 1.1400 0.9832 NA NA
28-Noroleana-11,13(18),17(22)-triene-3,21-dione 0.6842 1.0379 NA NA
[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate 1.0075 0.9991 NA NA
2-Acetamido-2-Deoxy-D-Mannopyranose 1.2811 1.2457 0.1650 0.1575
2-Acetylaminofluorene 1.6693 0.9197 NA NA
2-Amino-3-[(3-methylbut-2-en-1-yl)sulfanyl]propanoic acid 2.1518 0.8618 NA NA
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 1.3945 0.9527 NA NA
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[4-(2,6-dihydroxyphenyl)-3-hydroxy-2-methylbutan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 2.7425 0.7909 NA NA
2-Amino-5-nitrobenzoic acid 0.6607 1.0407 NA NA
2-Amino-6-ureidohexanoic acid 1.2847 0.9658 NA NA
2-Aminoacridone 0.7977 1.0243 NA NA
2-Aminonicotinic acid 1.1435 0.9828 NA NA
2-Aminophenol 0.8914 1.0130 NA NA
2-Benzylmalate 1.2743 1.1556 0.3886 0.4926
2-Chloro-2^-Deoxyadenosine 0.6051 0.7169 2.0033 1.9766
2-deoxy-5-O-phosphono-D-erythro-pentose 0.9157 1.0101 NA NA
2^-Deoxyadenosine-5^-monophosphate 0.8825 1.0141 NA NA
2^-Deoxycytidine-5^-monophosphate 0.6410 1.0431 NA NA
2-Deoxy-D-ribofuranose 5-phosphate 1.1056 0.9873 NA NA
2^-Deoxyinosine 1.0245 0.9971 NA NA
2-Deoxyribose-5^-phosphate 1.0058 0.9993 NA NA
2-[[(E,2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium 1.2422 0.9709 NA NA
(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate 0.7474 1.0303 NA NA
2-Hexyl-1,3-dioxan-5-ol 1.2370 0.9716 NA NA
2-hydroxy-2-(4-hydroxyphenyl)ethyl 3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboxylate 1.2728 0.9673 NA NA
2-hydroxy-2H-pyran-4,6-dicarboxylic acid 0.8739 1.0151 NA NA
2-Hydroxy-2-methylbutyric acid 1.0569 0.9932 NA NA
2-Hydroxy-3,4-dimethoxybenzoic acid 1.1245 0.9851 NA NA
2-Hydroxycinnamic acid 1.4590 1.2587 0.0592 0.0577
2-Hydroxyethanesulfonic acid 0.9637 1.0044 NA NA
2-Hydroxyglutarate 0.9835 1.0020 NA NA
2-Hydroxyoct-1-enoylglycine 1.0580 0.9930 NA NA
(2-iodo-5-nitrophenyl)(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone 0.9471 1.0063 NA NA
2-Isopropyl-4,6-dimethyl-1,3,5-dithiazinane 0.9116 1.0106 NA NA
2-Isopropylmalate 1.1325 0.9841 NA NA
2-Methoxy-4-[(1e)-3-Methoxyprop-1-En-1-Yl]phenol 1.0440 0.9947 NA NA
(2-Methoxy-4-prop-2-enylphenyl) 4-sulooxybenzoate 0.7465 1.0304 NA NA
[2-(methoxymethyl)-5-(3,5,6,7-tetrahydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 1.2225 0.9733 NA NA
2-Methoxynaphthalene 1.0696 0.9917 NA NA
2-Methylbacteriohopane-32,33,34,35-tetrol 0.7875 1.0255 NA NA
2-Naphthol 1.2091 0.9749 NA NA
2-(N-Morpholino)ethanesulfonic acid 1.0243 0.9971 NA NA
2^-O-Methyladenosine 1.1486 0.9822 NA NA
2-Oxoheptanedioic acid 2.6663 0.8000 NA NA
2-Phenylphenol 1.0226 0.9973 NA NA
2-Phospho-D-Glyceric Acid 1.0891 0.9893 NA NA
2-Propylphenol 1.0781 0.9906 NA NA
2-Pyridyl hydroxymethane sulfonic acid 1.1097 0.9868 NA NA
2-Pyrimidineacetic acid 0.9185 1.0098 NA NA
2-[(Pyrrolidinium-2-ylcarbonyl)amino]propanoate 0.7063 1.0352 NA NA
(2R,2^R)-3,3^-disulfanediylbis(2-acetamidopropanoic acid) 0.0415 0.0620 3.5328 4.9562
(2R,3R,4S,5S)-5-(1-hydroxyethyl)oxolane-2,3,4-triol 1.2700 0.9676 NA NA
[(2R,3R,4S,5S,6R)-2-[(1R,2Z,3S,4R,5S)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 0.7020 1.0358 NA NA
(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol 0.7874 1.0255 NA NA
(2R,6S)-2,6-Diaminoheptanedioic acid 0.9832 1.2130 0.3491 0.3900
(2R)-trihomocitric acid 2.2486 0.8502 NA NA
(2S)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid 1.2645 0.9683 NA NA
(2S)-2-amino-3-[hydroxy-[(2R)-3-icosanoyloxy-2-[(Z)-tetracos-15-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid 0.8756 1.0149 NA NA
[(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate 1.3654 0.9561 NA NA
(2S,3R)-2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid 1.2062 0.9753 NA NA
(2S,3R,4R,4aR,6aR,6bS,8aS,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate 1.6568 1.2010 0.1543 0.1684
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2E,4E)-3-methyl-5-[2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]penta-2,4-dienoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 1.4205 0.9495 NA NA
(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one 1.4569 0.9452 NA NA
[(2S,4R,5R,5aS,6S,8S,9aR,10aS)-6-acetyloxy-2,4,8-trihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-5-yl] benzoate 0.9944 1.0007 NA NA
[(2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate 1.2406 0.9711 NA NA
(2Z)-2-(16-acetyloxy-6-hydroxy-4,8,10,14-tetramethyl-3,7-dioxo-2,4,5,6,9,11,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene)-6-methylhept-5-enoic acid 1.0955 0.9885 NA NA
{[(2Z)-2-(phenylmethylidene)heptyl]oxy}sulfonic acid 1.0212 0.9975 NA NA
31-Hydroxy rifabutin 0.9749 1.0030 NA NA
3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one 1.4020 1.1770 0.3082 0.3446
3-(2,4-dihydroxyphenyl)-1-{3-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl}propan-1-one 1.1361 0.9837 NA NA
3-[[[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-N-(aminosulfonyl)propanimidamide 1.0077 0.9983 0.9902 1.0180
3-(2-Aminopropyl)phenol 1.1072 0.9871 NA NA
3-[(2-Chlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one 0.6078 1.0471 NA NA
3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine 1.0502 0.9940 NA NA
3-[2-Methyl-5-(piperidine-1-sulfonyl)furan-3-yl]-1-phenylurea 0.9007 1.0119 NA NA
3,3^,4^5-Tetrahydroxystilbene 0.1158 0.0939 4.2079 3.8188
3-(3,4,5-Trimethoxyphenyl)propanoic acid 1.3647 1.2626 0.0815 0.0805
3-(3,5-Diiodo-4-hydroxyphenyl)pyruvate 0.5072 1.0591 NA NA
3-[(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)(4-methylphenyl)amino]phenolate 0.5708 1.0515 NA NA
3,4,5-Trimethoxycinnamic acid 0.8862 1.0137 NA NA
3,4,5-Trimethoxyphenol 0.9015 1.0118 NA NA
3,4-Dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl) 1H-2-benzopyran-1-one 1.1794 0.9785 NA NA
3,4-Dihydroxy-5-sulooxycyclohexene-1-carboxylic acid 0.8787 1.0146 NA NA
3,4-Dihydroxybenzenesulfonic acid 1.1535 0.9816 NA NA
3,4-Dihydroxyhydrocinnamic acid 1.2183 1.1524 0.4740 0.4516
3,4-Dihydroxyphthalic acid 0.9583 1.0050 NA NA
3,4-Dimethylbenzoic acid 0.9923 1.0009 NA NA
3,5-Dihydroxybenzoic acid 1.0118 0.9986 NA NA
3-(6-Amino-9h-purin-9-yl)propanoic acid 0.4968 1.0604 NA NA
3,7-Dimethyluric acid 1.1526 0.9817 NA NA
3-Amino-4-hydroxybenzoic acid 0.8574 1.0171 NA NA
3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid 0.8308 1.0203 NA NA
3beta-Fluoro-5alpha-androstan-17beta-ol 0.5287 1.0566 NA NA
3-Butyl-2-thioxoimidazolidin-4-one 1.0134 0.9984 NA NA
3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid 1.0565 0.9932 NA NA
3-Deazauridine 1.0989 0.9881 NA NA
3-deoxy-D-arabino-heptulosonate-7-phosphate 1.0367 0.9956 NA NA
3^-Dephosphocoenzyme A 1.0162 0.9981 NA NA
3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamide 0.9316 1.0082 NA NA
3-Guanidinopropionic acid 1.2628 1.1704 0.3830 0.4087
[3-hexadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate 1.0170 0.9980 NA NA
3-Hexenedioic acid 1.3197 0.9616 NA NA
3-Hydroxy-3-methyl-2-oxobutanoic acid 1.3074 0.9631 NA NA
3-Hydroxy-8^-apo-epsilon-caroten-8^-al 0.4507 1.0659 NA NA
3-Hydroxybutyrate 1.1529 0.9817 NA NA
3-Hydroxydecanoic acid 1.1047 1.0599 0.8576 0.6872
3-Hydroxydecanoyl carnitine 1.5616 0.9326 NA NA
3-Hydroxyflavone 0.9810 1.0023 NA NA
3-Hydroxyglutaric acid 0.9877 1.1272 0.6352 0.6072
3-Hydroxyisovaleric acid 0.9544 1.0055 NA NA
3-Hydroxypicolinic acid 1.0373 0.9955 NA NA
3^-Hydroxyropivacaine 1.0318 0.9962 NA NA
3-Indoleacetonitrile 0.6906 1.0371 NA NA
3-Indolylmethyl glucosinolate 1.0792 0.9905 NA NA
3-Isobutanoyl-3^,4-di(isovaleryl)sucrose 0.9120 1.0106 NA NA
3-Ketosucrose 1.4038 0.9515 NA NA
3-Mercaptopyruvic acid 1.2691 0.9677 NA NA
3-Methoxycinnamic acid 0.6313 1.0442 NA NA
3-Methyladipic acid 1.0332 0.9960 NA NA
3-Methylazelaic acid 1.1208 0.9855 NA NA
3-Methylcrotonyl Glycine 1.1054 0.9874 NA NA
3-Methylglutarylcarnitine 0.7218 1.0334 NA NA
3-Methylxanthine 0.8165 1.0220 NA NA
3-O-Caffeoyl-1-O-methylquinic acid 1.5582 0.9330 NA NA
3-O-Feruloylquinic acid 0.2240 1.3246 0.2387 0.2520
3-Oxalomalic acid 1.4409 0.9471 NA NA
(3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid 1.1970 0.9764 NA NA
(3S,3aS,6R,8aS)-3,8-Dimethyl-5-(propan-2-ylidene)-2,3,4,5,6,8a-hexahydro-1H-3a,6-epoxyazulen-6-ol 1.0860 0.9897 NA NA
(3S)-3-benzyl-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione 0.4665 1.0640 NA NA
3-Sialyllactose 1.1960 1.0740 0.7288 0.6803
3-Sulfocatechol 1.3379 1.2018 0.2648 0.2830
4,12-Dimethoxy-17-methyl-13-oxo-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-3-olate 1.1465 0.9824 NA NA
4-[(1-Oxo-7-phenylheptyl)amino]-(4R)-octanoic acid 1.3434 0.9588 NA NA
4-(2-Hydroxyethyl)piperazin-1-ylethanesulphonic acid 1.1093 0.9869 NA NA
4-[4-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-imidazol-5-yl]pyridine 0.7133 1.0344 NA NA
4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclopropyl-benzenesulfonamide 1.2221 0.9734 NA NA
4-{[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid 0.7499 1.0300 NA NA
4,5-dihydroxy-3-(sulfooxy)cyclohex-1-ene-1-carboxylic acid 0.7984 1.0242 NA NA
{4-[5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-2H,8H-pyrano[2,3-f]chromen-4-yl]phenyl}oxidanesulfonic acid 0.7084 1.0350 NA NA
4,6-Dinitro-O-cresol 1.0543 0.9935 NA NA
[4-(8-hydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 0.9534 1.0056 NA NA
4-(8-Methyl-9H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)benzenamine 1.1623 0.9805 NA NA
4-Acetamidobenzaldehyde 1.4686 0.9438 NA NA
4-(Acetylamino)-3-methoxyphenyl hydrogen sulfate 0.6971 1.0364 NA NA
4-Aminopyridine 1.0264 0.9968 NA NA
4-Carboxymuconolactone 0.9776 1.0027 NA NA
4-Chlorophenol 1.1231 0.9852 NA NA
4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate 1.0872 0.9895 NA NA
4-Guanidinobutanal 0.9150 1.0102 NA NA
4-Guanidinobutyric acid 1.2144 0.9743 NA NA
4^-Hydroxy-5,6,7-trimethoxyflavanone 0.8375 1.0195 NA NA
4-Hydroxybenzenesulfonic acid 0.2377 0.3112 3.3395 3.3426
4-Hydroxycyclohexylcarboxylic acid 1.0364 0.9956 NA NA
4-Hydroxyestradiol 1.1586 0.9810 NA NA
4-Hydroxy-glutamic acid 1.1769 0.9788 NA NA
4-Hydroxyisophthalic acid 1.0032 0.9996 NA NA
4-(Hydroxymethyl)benzenesulfonic acid 1.1218 0.9854 NA NA
4-Hydroxyquinoline 1.0347 0.9958 NA NA
4-Hydroxytamoxifen 0.6427 1.0429 NA NA
4-Methoxy-6-(beta-D-glucopyranosyloxy)benzofuran-5-propionic acid 1.5571 1.0629 0.5039 0.7470
4-Methyl-4-aza-5-pregnene-3,20-dione 1.5373 0.9355 NA NA
4-Methylesculetin 0.8833 1.0140 NA NA
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol 1.1360 1.0892 0.6940 0.6698
4-Methylvaleric Acid 0.9912 1.0011 NA NA
4-Nitro-3-(trifluoromethyl)aniline 0.9587 1.0050 NA NA
4-(N-Maleimido)phenyltrimethylammonium iodide 0.6207 1.0455 NA NA
4-Oxohex-2-enedioate 0.7566 1.0292 NA NA
4-Oxoniocarbonylbenzoate 1.0185 0.9978 NA NA
4-(pyridin-4-yl)-N-(m-tolyl)thiazol-2-amine 1.1352 0.9838 NA NA
4-Pyridoxic acid 0.8713 1.0414 0.9332 0.9081
4-tert-Butylcalix[4]arene 1.0159 0.9981 NA NA
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- 0.3330 0.2470 3.4830 3.5196
5-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3,6-dihydroxy-2-methoxy-4-methylcyclohexa-1,4-dien-1-olate 0.9049 1.0114 NA NA
5-(2-Fluorophenyl)furan-2-carboxylic acid 0.7134 1.0344 NA NA
5-(3^-Carboxy-3^-oxopropyl)-4,6-dihydroxypicolinate 1.4466 1.0900 0.5728 0.5261
5-(3-Hydroxy-4-phenylbut-1-en-1-yl)-1-[6-(2H-tetrazol-5-yl)hexyl]pyrrolidin-2-one 1.2364 0.9716 NA NA
5-[4-(4-Hydroxyphenyl)phenyl]benzene-1,3-diol 1.2449 0.9706 NA NA
5-(5-Chloro-2,4-Dihydroxyphenyl)-N-Ethyl-4-(4-Methoxyphenyl)isoxazole-3-Carboxamide 1.1249 0.9850 NA NA
5,6,7,8-Tetrahydroquinolin-2(1H)-one 1.1011 0.9879 NA NA
5,6-Dimethylbenzimidazole 1.0778 0.9907 NA NA
5,7,3^,4^-Tetrahydroxy-6,8-dimethoxyflavone 0.9124 1.0105 NA NA
5,7-Difluoro-1H-indole-2-carboxylic acid 1.1827 0.9781 NA NA
5,8,11,14-Eicosatetraynoic acid 1.0982 0.9882 NA NA
5,8-dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexyl)-3,7-dimethoxy-4H-chromen-4-one 1.0279 0.9966 NA NA
5,8-Epoxy-5,8-dihydro-10^-apo-b,y-carotene-3,10^-diol 1.3569 1.2237 0.0005 0.0004
5,8-Epoxy-5,8-dihydro-3-hydroxy-8^-apo-b,y-carotenal 1.4311 1.2424 0.1181 0.1169
5alpha-Tomatidan-3-one 1.0527 0.9937 NA NA
5-amino-1-(5-phosphonato-D-ribosyl)imidazole-4-carboxylate 0.7942 1.0247 NA NA
5-Aminoimidazole-4-carboxamide 1.0272 0.9967 NA NA
5-Bromo-3-(2,4-dibromo-6-hydroxyphenoxy)benzene-1,2-diol 0.9577 1.0051 NA NA
5-chloro-1^-[(2-fluorophenyl)methyl]-2,2^,5^-trioxo-spiro[3H-indole-3,3^-pyrrolidine-1(2H)-acetic acid 1.0166 0.9980 NA NA
5-cis-15(R)-Iloprost 1.1531 0.9816 NA NA
5-HEPE 1.3157 0.9621 NA NA
5-Hydroxyemedastine 1.4308 0.9483 NA NA
5-Hydroxyindoleacetaldehyde 1.5506 1.1749 0.1372 0.1422
5-keto-D-gluconic acid 1.0048 0.9994 NA NA
5-Methoxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-h]chromen-2-one 0.7494 1.0301 NA NA
5-Methyl-4-(phenoxymethyl)isoxazole-3-carboxylic acid 1.0767 0.9908 NA NA
5-Oxo-4,5-dihydro-2-furylacetic acid 0.9928 1.0009 NA NA
5-Pentyltetrahydro-2-oxo-3-furancarboxylic acid 1.4122 0.9505 NA NA
5-Quinoxalin-6-ylmethylene-thiazolidine-2,4-dione 1.0671 0.9919 NA NA
(5R)-5,8,8abeta,9-Tetrahydro-5beta-(3,4,5-trimethoxyphenyl)-9beta-[[(Z)-2-methyl-2-butenoyl]oxy]furo[3^,4^:6,7]naphtho[2,3-d]-1,3-dioxole-6(5aalphaH)-one 0.2032 1.0956 NA NA
(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one 1.0646 0.9922 NA NA
(5Z)-5-[[4-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione 0.8780 0.5287 2.5615 2.3256
6,11-dihydroxy-2,2,5-trimethyl-12-(6,8,11-trihydroxy-2,2,5-trimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-4-yl)-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one 0.4878 1.0615 NA NA
6-[2,2-Bis[di(propan-2-yl)amino]acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid 1.1190 0.9857 NA NA
6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 0.2924 1.0849 NA NA
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid 1.1163 0.9860 NA NA
6,7-dimethoxy-2-methylisoquinoline-1,3,4(2H)-trione 1.3104 0.9628 NA NA
6,8-Difluoro-7-hydroxy-4-methylcoumarin 1.2715 0.9674 NA NA
(6a,11b,16a,17a)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid 1.1459 0.9825 NA NA
6beta-Naltrexol 0.9348 1.0078 NA NA
6-Fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate 0.0937 0.5231 2.8797 2.6004
6-Hydroxynicotinic acid 0.7221 1.0334 NA NA
6-Methoxy-2-naphthoic acid 0.7165 1.0340 NA NA
6-Methoxy-3-methyl-2-all-trans-heptaprenylhydroquinone 0.9920 1.0010 NA NA
6-phospho-5-dehydro-2-deoxy-D-gluconic acid 1.1992 0.9761 NA NA
6-trans-12-epi Leukotriene B4 1.4322 1.1723 0.3555 0.2917
7-[2-(3-Hydroxyoctyl)-5-oxopyrrolidin-1-YL]heptanoic acid 1.2504 0.3507 3.0439 2.6210
7-[2-TRIFLUOROMETHYL-4-(2-HYDROXYPHENYL)-1,3-DIOXAN-cis-5-YL]-HEPT-5Z-ENOIC ACID 2.3226 1.0268 0.4276 0.4636
7,7-Dimethyl-(5Z,8Z)-eicosadienoic acid 0.1464 0.1434 3.8725 3.8831
7alpha,12beta-Dihydroxy-5alpha-cholan-24-oic Acid 0.7620 1.0286 NA NA
7-Hydroxyamoxapine 1.3369 1.2707 0.0687 0.0636
7-Hydroxyflavone 1.2005 0.9759 NA NA
7-Hydroxymethyl-12-methylbenz[a]anthracene 0.9673 1.0039 NA NA
7-Hydroxyprochlorperazine 0.8011 1.0239 NA NA
7-ketolithocholic acid 1.2264 1.2981 0.0235 0.0250
7-Methylthioheptanonitrile oxide 1.2283 0.9726 NA NA
7-O-(Triethylsilyl)-10-deacetyl Baccatin III 1.3020 0.9638 NA NA
7-Xylosyl-10-deacetyltaxol 1.0427 0.9949 NA NA
8(9)-EpETrE-EA 0.9366 1.0076 NA NA
8-Anilino-1-naphthalenesulfonic acid 0.7731 1.0272 NA NA
8-Cyclopentyl-1,3-dimethylxanthine 1.0764 0.9908 NA NA
(8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic Acid 2.1053 0.8674 NA NA
9,10,13-Trihydroxy-11-octadecenoic acid 1.6452 0.9226 NA NA
9,10-Epoxystearic acid 1.3083 1.2583 0.1308 0.0928
(9alpha,15R)-N-(1,3-Dihydroxypropan-2-yl)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-amide 0.8033 1.0236 NA NA
9-Demethylmunduserone 1.0201 0.9976 NA NA
[(9E)-8-Acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] 2-methylprop-2-enoate 1.2721 0.9673 NA NA
9-Fluoro-11beta-hydroxy-16alpha-methyl-pregn-4-ene-3,20-dione 1.0664 0.9920 NA NA
9-Fluoro-16-methylpregn-4-ene-3,11,20-trione, (16alpha)- 0.5199 1.0576 NA NA
(±)9-HpODE 1.4186 1.2620 0.0684 0.0567
9(S),12(S),13(S)-TriHOME 1.5903 1.2440 0.0598 0.0504
9(S)-HpOTrE 1.4656 1.2503 0.0809 0.0825
9-Thiastearic Acid 0.9653 1.0042 NA NA
Abu-Ala-OH 1.0489 0.9941 NA NA
Acamprosate 0.9840 1.0019 NA NA
Aceglutamide 0.6778 1.0387 NA NA
Acenocoumarol 1.3962 0.9525 NA NA
Acesulfame 0.3370 1.0796 NA NA
Acesulfame potassium 1.3098 1.1985 0.2852 0.3031
Acetaminophen glucuronide 1.4241 1.2507 0.0988 0.0905
Acetaminophen sulfate 1.0113 0.9986 NA NA
Acetic acid trans-2-hepten-1-YL ester 1.2675 0.9679 NA NA
Acetyl citrate 0.9218 1.0094 NA NA
Acitretin 1.3727 1.2652 0.0760 0.0629
aclacinomycin S 0.9234 1.0092 NA NA
Acobioside a 1.0543 0.9935 NA NA
Aconitic acid 0.9042 1.1039 0.7094 0.7399
Adenine 1.1137 0.9864 NA NA
Adenosine 1.4820 1.1474 0.2713 0.4621
Adenosine-5^-phosphosulfate 0.4317 1.0682 NA NA
Adipic acid 1.0845 0.9899 NA NA
ADP-ribose 0.6037 1.0476 NA NA
Agomelatine 1.2161 0.9741 NA NA
Agrimol F 0.6757 1.0389 NA NA
AICA ribonucleotide 1.1202 0.9856 NA NA
Ala-Arg-Gly 0.9636 1.0044 NA NA
Ala-Asn-Asp-Asp 1.9112 0.8907 NA NA
Ala-Glu-Ser-Glu 0.4934 1.0608 NA NA
Ala-Gly 1.1054 0.9874 NA NA
Ala-Leu-Thr-Asp 0.5674 1.0519 NA NA
Ala-Lys-Leu-Asp 1.1835 0.9780 NA NA
Alanine glutamate 1.1413 0.9830 NA NA
Ala-Phe-Ile-Arg 1.3113 1.1762 0.3614 0.3569
Ala-Thr 1.0169 0.9980 NA NA
Ala-Tyr-Glu-Asp 1.1822 0.9781 NA NA
Ala-Val-Lys-Arg 1.3938 1.2805 0.0141 0.0199
Albiflorin 1.0565 0.9932 NA NA
Alendronic acid 0.8991 1.0121 NA NA
Alimix 1.2493 0.9701 NA NA
Allobarbital 0.8603 1.0168 NA NA
Allocholic acid 0.9754 1.0030 NA NA
All-trans-decaprenyl diphosphate(3-) 0.9544 1.0055 NA NA
alpha-1,5-L-Arabinotetraose 0.8950 1.0126 NA NA
alpha-CYANO-3-HYDROXYCINNAMIC ACID 1.8225 0.9013 NA NA
alpha-D-ribose 1-methylphosphonate 5-phosphate 0.7514 1.0298 NA NA
Alpha-d-xylopyranose 1.0738 0.9911 NA NA
Alpha-Ketooctanoic acid 0.9967 1.0004 NA NA
alpha-Muricholic acid 1.2522 0.9697 NA NA
Ambrisentan 1.2889 0.9653 NA NA
Amifostine 0.7504 0.7032 1.9381 2.0342
(Aminomethyl)phosphonic acid 0.8648 1.3142 0.1137 0.0964
Aminosalicylic Acid 1.0521 0.9937 NA NA
Ammeline 1.3626 0.9565 NA NA
Amobarbital 1.1558 0.9813 NA NA
Amsacrine 0.4951 1.0606 NA NA
Androst-4-ene-3,17-dione, 16beta-fluoro- 1.2563 0.9692 NA NA
Angolensin 1.1780 0.9786 NA NA
Arabinose 1.0631 0.9924 NA NA
Arg-Glu-Asp-Arg 1.1056 0.9873 NA NA
Arg-Ile-Tyr 0.5390 1.0553 NA NA
Arginylasparagine 1.1220 0.9854 NA NA
Arg-Lys-Arg-Ala-Arg-Lys-Glu 1.1410 0.9831 NA NA
Arg-Lys-Arg-Ser-Arg-Lys-Glu 1.7815 0.9062 NA NA
Arg-Met 1.0643 0.9923 NA NA
arjunglucoside I 0.8210 1.0215 NA NA
Arvanil 1.2981 1.2157 0.2506 0.2395
Ascochitine 1.1770 0.9788 NA NA
Asiatic acid 1.0531 0.9936 NA NA
Asn-Arg-Gln-Lys 1.1394 0.9833 NA NA
Asn-Arg-Glu-Ser-Leu 0.9588 1.0049 NA NA
Asn-Glu-Lys 0.9616 1.0046 NA NA
Asn-Glu-Thr-Glu 0.8061 1.0233 NA NA
Asn-Leu 1.2911 0.9651 NA NA
Asn-Phe-His-Asp 1.2409 0.9711 NA NA
Asn-Thr 1.1204 0.9856 NA NA
Asn-Tyr-Glu-Asp 0.1191 0.0605 3.9225 4.4066
Asn-Val-Glu-Glu 0.7785 1.0266 NA NA
Asparagylalanine 0.9704 1.0036 NA NA
Aspartylasparagine 0.4157 0.4283 2.5856 3.3582
Aspergillomarasmine A 1.1346 0.9839 NA NA
Asp-Gln-Ala-Asp 0.6796 0.6046 1.8308 2.9006
Asp-Ile-Ala-Lys 1.1403 0.9832 NA NA
Asp-TyrMe-OH 1.2072 0.9751 NA NA
Asp-Val 1.0126 0.9985 NA NA
Atipamezole 0.9395 1.0073 NA NA
Austrobailignan 1 0.8569 0.7623 1.8019 1.7172
Avenanthramide C 1.1842 0.9779 NA NA
Avermectin A1a aglycone 1.2781 0.9666 NA NA
Avermectin B2b aglycone 1.1490 0.9821 NA NA
Avermectin B2b monosaccharide 1.1055 0.9873 NA NA
Azatadine 1.0628 0.9925 NA NA
Bacampicillin 1.5427 0.9349 NA NA
Bacterioruberin 0.8729 1.0153 NA NA
Baicalein 1.2306 0.9723 NA NA
Barbamide 0.9197 1.0096 NA NA
Barbital 1.0931 0.9888 NA NA
Batrachotoxin 1.0260 0.9969 NA NA
BayCysLT2 1.5340 0.9359 NA NA
Bazedoxifene HCl 1.4469 1.2659 0.0416 0.0411
Benzamide 1.0281 0.9966 NA NA
Benzquinamide 0.7848 1.0258 NA NA
Benzylamine 0.9662 1.0041 NA NA
Benzyl cetraxate 0.7795 1.0265 NA NA
Bergenin 0.6993 1.0361 NA NA
beta-D-Galp-(1->3)-D-GalpNAc 0.9478 0.7353 1.8904 1.7143
beta-L-fucose 1-phosphate 0.7509 1.0299 NA NA
Bila 2185BS 1.4418 0.9470 NA NA
Bimatoprost 1.1080 0.9870 NA NA
Biopterin 1.0048 0.9994 NA NA
Biosone 1.0736 0.9912 NA NA
Bis[1-[(1E,3E,5Z)-1,3,5-heptatrienyl]-8-(2,3-dihydroxyphenyl)octyl] peroxide 1.0572 0.9931 NA NA
Bis(7-hydroxyheptyl) icosanedioate 1.3549 0.9574 NA NA
Bisacurone epoxide 1.0654 0.9922 NA NA
Bisacutifolone C 1.2959 0.9645 NA NA
Bis(glutathionyl)spermine disulfide 0.8658 1.0161 NA NA
Bisindolylmaleimide IV 1.5657 0.9321 NA NA
Bisphenol A bis(2-hydroxypropyl) ether 0.5093 1.0589 NA NA
Bortezomib 1.0331 0.9960 NA NA
Boscalid 0.9893 1.0013 NA NA
Bosutinib 0.5884 1.0494 NA NA
Brassicanal B 0.1642 0.1685 3.7903 3.8019
Brexpiprazole 0.9958 1.0005 NA NA
Brigatinib (AP26113) 0.6161 0.4645 3.0971 2.4867
Bromopride 1.6342 1.2180 0.1287 0.1036
Bronopol 0.7460 1.0305 NA NA
Bucharaine 1.0691 0.9917 NA NA
Bufalin 1.0409 0.9951 NA NA
Bumetanide 1.0330 0.9960 NA NA
Butamifos 0.8212 1.0215 NA NA
Butyrate 1.0235 0.9972 NA NA
Buxamine E 1.2155 0.9741 NA NA
BW-245C 1.1117 0.9866 NA NA
Caffeic acid 1.1219 0.9854 NA NA
Calcifediol 1.0034 0.9996 NA NA
Calcium carbimide 0.9589 1.0049 NA NA
Canrenone 1.1534 1.2820 0.1099 0.0850
Cardamonin 1.8061 0.9033 NA NA
Cardiopetalidine 1.6026 0.9277 NA NA
Carnosine 1.2692 0.9677 NA NA
Carprofen 0.8069 1.0232 NA NA
Cavipetin C 1.1264 0.9848 NA NA
Cefroxadine 1.0059 0.9993 NA NA
Cephalomannine 0.9572 0.9697 1.0261 1.2315
Chalcomoracin 0.3585 1.0770 NA NA
Chelidonic acid 0.9105 1.0107 NA NA
Chlamydospordiol 1.1138 0.9863 NA NA
Chlorobenzene 1.1789 0.9785 NA NA
Chlorogenic acid quinone 1.6479 0.9223 NA NA
Chloroquine 0.8708 1.0155 NA NA
Cholic acid 1.4365 1.2717 0.0301 0.0249
Chorismic acid 0.6974 0.7709 1.8377 1.7431
Chymostatin 1.4392 0.9473 NA NA
Cimetidine 1.2064 0.9752 NA NA
C.I. Pigment Red 149 1.3169 0.9620 NA NA
cis-2-Hydroxypenta-2,4-dienoic acid 1.1563 0.9812 NA NA
Cis-8,11,14,17-Eicosatetraenoic acid 0.4480 0.4648 3.0123 2.5394
cis,cis-Muconic acid 1.0092 0.9989 NA NA
cis-EODA 1.3354 1.2854 0.0272 0.0177
Citbrasine 1.1887 0.9774 NA NA
Clavaldehyde 1.0182 0.9978 NA NA
Clionamide 1.1323 0.9841 NA NA
Clobetasol propionate 0.5703 0.3128 2.8840 3.6394
Clopidogrel 0.8930 1.0128 NA NA
Clopidol 1.0775 0.9907 NA NA
Corchorifatty acid F 1.8836 1.2038 0.0653 0.0772
Corydaline 1.0190 0.9977 NA NA
Coumestrol 1.0562 0.9933 NA NA
Creatinine 0.8714 0.7754 1.8739 1.5247
Crenulatoside A 1.4108 0.9507 NA NA
Cromolyn 1.0507 0.9939 NA NA
Cucumopine 0.9688 1.0037 NA NA
Cucurbitacin I 1.2423 1.2630 0.1196 0.1294
Cyclamic acid 1.1262 0.9849 NA NA
cyclic ADP-ribose 0.3125 0.2686 3.3032 3.6177
Cycloastradiol 1.1100 0.9868 NA NA
Cycloxydim 1.0466 0.9944 NA NA
Cystathionine 1.0775 0.9907 NA NA
Cysteinyl-Arginine 1.0383 0.9954 NA NA
Cysteylalanine 0.8686 1.0158 NA NA
Cys-Trp 1.9526 1.1503 0.2057 0.2070
cytidine monophosphate N-acetylneuraminic acid 0.9378 1.0075 NA NA
D-4-Hydroxyphenylglycine 0.9574 1.0051 NA NA
Daminozide 1.1904 0.9771 NA NA
DAN-1 EE 1.1188 0.9857 NA NA
D-Arabinose 0.8999 0.8856 1.3807 1.3776
Dasatinib 0.7399 1.0312 NA NA
Decitabine 1.0934 0.9888 NA NA
Decoside 1.0808 0.9903 NA NA
Dehydro-L-(+)-ascorbic acid dimer 1.0642 0.9923 NA NA
Delphinidin 3-glucoside 0.9023 1.0117 NA NA
delta-Tocotrienol 1.1420 0.9830 NA NA
Deoxycholic acid 1.3940 1.2853 0.0023 0.0023
Deoxysappanone B 7,3^-dimethyl ether 0.8560 1.0173 NA NA
D-Erythroascorbic acid 1^-a-D-glucoside 1.1094 0.9869 NA NA
Desbutyllumefantrine 0.4765 1.0628 NA NA
Desmethylmaprotiline 1.1082 0.9870 NA NA
D-Fructose 1.2353 0.9718 NA NA
DG(15:0/18:3(9Z,12Z,15Z)/0:0) 1.0069 0.9992 NA NA
DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0) 1.3798 0.9544 NA NA
DG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) 1.2678 0.9679 NA NA
DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 0.9200 1.0096 NA NA
Dialifor 0.7086 1.0350 NA NA
Dibutyl phthalate 0.9997 1.0000 NA NA
Dicamba 0.9862 1.0017 NA NA
Dicyclohexyl phthalate 1.1381 0.9834 NA NA
Diflubenzuron 1.1944 0.9767 NA NA
Digalacturonate 1.3175 0.9619 NA NA
Dimethylarsinic acid 0.8149 1.0222 NA NA
Dimethylstilbestrol 0.8784 1.0146 NA NA
Dimethyl telluride 0.0943 0.0624 4.0735 4.2220
Dimethylthiambutene 1.3471 0.9583 NA NA
Diphenhydramine 0.9109 1.0107 NA NA
Disodium 2-hydroxypentanedioate 0.9086 1.0110 NA NA
dl-Alanyl-dl-leucine 0.9990 1.0001 NA NA
DL-Carbidopa 0.7611 1.0287 NA NA
DL-Glyceraldehyde 3-Phosphate 0.9669 1.0040 NA NA
DL-Methionine 0.8411 1.0191 NA NA
D-Methionine 0.7423 1.0309 NA NA
Docosanoic acid, 1-[[(1-oxooctadecyl)oxy]methyl]-2-(phosphonooxy)ethyl ester, (R)- 1.1513 0.9818 NA NA
Dodecanedioic Acid 1.2861 1.2718 0.0015 0.0018
Dopamine 1.1442 0.9827 NA NA
D-phenylalanine 1.3337 1.2630 0.0830 0.1006
D-Phenylalanine 1.0083 1.0250 0.8434 1.0218
D-Quinovose 1.2771 1.2214 0.2184 0.1876
D-Ribose 1.2284 1.0917 0.6595 0.6214
D-Ribulose 1,5-bisphosphate 1.0384 0.9954 NA NA
dTDP-beta-L-evernosamine 2.8377 0.7795 NA NA
dTDP-N-hydroxy-beta-L-evernosamine 2.4241 0.8291 NA NA
D-Xylulose 5-phosphate 1.2652 1.1860 0.2312 0.2949
(E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid 1.0228 0.9973 NA NA
Edaravone 0.9553 1.0054 NA NA
Edoxudine 1.0533 0.9936 NA NA
(E)-Ethyl 3-(4-hydroxyphenyl)acrylate 1.1347 0.9838 NA NA
Egtazic acid 0.9502 1.0060 NA NA
Egualen sodium 1.0648 0.9922 NA NA
Enalapril 1.0850 0.8302 1.5762 1.3548
Entacapone 1.2432 0.9708 NA NA
Entecavir 1.1154 0.9861 NA NA
Ephedrine 1.0012 0.9999 NA NA
Epigallocatechin 1.2733 1.2436 0.1659 0.1772
Epinephrine 1.1576 0.9811 NA NA
Epitulipinolide diepoxide 0.3650 1.0762 NA NA
Eprodisate disodium 1.0946 0.9886 NA NA
Eriocarpin 1.4451 0.9466 NA NA
Erythritol 1.3169 1.2605 0.1072 0.1011
(E)-S-1-Propenyl thiosulfate 0.8055 0.7404 1.9056 1.7767
Estra-1,3,5(10),7-tetraene-3,17alpha-diol 0.8876 1.0135 NA NA
Estradiol acetate 1.1155 0.9861 NA NA
Estradiol cypionate 1.0677 0.9919 NA NA
Etamsylate 0.9645 1.0043 NA NA
Ethanone, 1-(2-methyl-1-cyclopenten-1-yl)- 1.0201 0.9976 NA NA
Ethephon 0.4165 1.0700 NA NA
Ethosuximide 1.2741 0.9671 NA NA
Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate 0.3687 1.0758 NA NA
Ethylene brassylate 0.8310 1.0203 NA NA
Ethylparaben 1.0742 0.9911 NA NA
Exalamide 0.9146 1.0103 NA NA
FAA(17:1) 1.0802 0.9904 NA NA
Farnesyl diphosphate 1.0075 0.9991 NA NA
FD And C Green No. 1 1.4841 0.4197 2.6077 2.5141
Fenaminosulf 0.9725 1.0033 NA NA
Fenhexamid 0.5277 1.0567 NA NA
Ferulic acid 1.2840 1.2828 0.0495 0.0491
Feudomycin A 0.8032 1.0236 NA NA
FFA(12:1) 1.0416 0.9950 NA NA
FFA(13:0) 1.1624 0.9805 NA NA
FFA(16:0) 1.2392 1.3012 0.0114 0.0093
FFA(17:0) 1.5230 1.2218 0.1565 0.1335
FFA(17:1) 1.0408 0.9951 NA NA
FFA(18:2) 1.3343 1.2894 0.0111 0.0122
Flindersine 1.1820 0.9782 NA NA
Floctafenine 0.9817 0.6403 2.1474 2.0075
Fluazifop 0.7985 1.0242 NA NA
Fluconazole 1.3861 0.9537 NA NA
Flunixin 1.0160 0.9981 NA NA
Fluorouracil 0.3607 1.0767 NA NA
Fluoxymesterone 1.4512 0.9459 NA NA
Flutamide 0.9506 1.0059 NA NA
Formoterol 0.5929 0.5056 2.4631 2.8420
Fosfocreatinine 0.9460 1.0065 NA NA
Fosfomycin calcium 0.2357 1.0917 NA NA
Frovatriptan 0.5824 1.0501 NA NA
Fructose 1.2708 1.2911 0.0307 0.0272
Furfural diacetal 0.4459 1.0665 NA NA
Gaboxadol 1.0438 0.9947 NA NA
Gal1-4Gal1-4GlcNacSp 0.5576 1.0531 NA NA
gamma-Glutamylcysteine 1.3526 1.0663 0.6482 0.7075
gamma-Glutamylglutamate 0.6972 1.0363 NA NA
gamma-Glutamylglutamine 1.1498 0.9820 NA NA
Gangetin 1.5144 0.9383 NA NA
Ganodermic acid TQ 1.1802 0.9784 NA NA
Garcinone C 0.8894 1.0133 NA NA
Gastrodin 1.0362 0.9957 NA NA
Gemcitabine 1.4692 1.2413 0.1115 0.1016
Genipin 1-gentiobioside 1.0298 0.9964 NA NA
Geniposide 1.1258 0.9849 NA NA
Geranic acid 1.1555 0.9813 NA NA
Geranylgeranyl diphosphate 0.9288 1.0085 NA NA
Gestrinone 1.1521 0.9817 NA NA
Gibberellin A14 1.0156 0.9981 NA NA
Gibberellin A34-catabolite 0.9336 1.0080 NA NA
Gibberellin A53 0.8103 1.0228 NA NA
Gibberellin A79 1.3135 1.2654 0.0885 0.0942
Ginsenoside Rh2 1.0213 0.9974 NA NA
Girgensonine 1.1201 0.9856 NA NA
Glaziovina 0.9839 1.0019 NA NA
Gln-Asn 1.0001 1.0000 NA NA
Gln-Gln 1.1575 0.9811 NA NA
Gln-Gln-Glu 1.3617 0.9566 NA NA
Gln-Phe-Glu-Lys 1.0428 0.9949 NA NA
Glu-Ala 0.9783 1.0026 NA NA
Glu-Asn-Lys-Asp 0.8704 1.0156 NA NA
Glucobrassicanapin 1.2110 0.9747 NA NA
Glucofrangulin A 1.5065 0.9392 NA NA
Gluconic Acid 0.6766 1.0388 NA NA
Glucose 0.5147 0.5491 2.4999 2.5624
Glu-His 1.2883 1.1270 0.5288 0.4981
Glu-Lys 0.7167 1.0340 NA NA
Glu-Phe 0.7541 0.9612 1.2103 1.1979
Glutamine 0.8491 0.8966 1.2729 1.4811
Glutaminylproline 1.3202 0.9616 NA NA
Glutamylasparagine 1.1270 0.9848 NA NA
Glu-Thr-His-Glu 0.9068 0.6819 2.0602 1.8958
Glu-Val 1.0006 0.9999 NA NA
Gly-Ala-Pro-Met-Phe-Val-NH2 1.1751 0.9790 NA NA
Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate 3-O-[alpha-D-galactopyranosyl-(1->6)-beta-D-galactopyranoside] 1.2582 1.1572 0.5044 0.3478
Glycochenodeoxycholate (1-) 1.4899 0.9412 NA NA
Glycoursodeoxycholic acid 1.2903 1.2643 0.0635 0.0675
Glycylglycine 1.0802 0.9904 NA NA
Glycyl-L-tyrosine 1.1653 0.9802 NA NA
Glycylmethionine 1.6229 0.9252 NA NA
Glyphosate 1.0029 0.9997 NA NA
Goyaglycoside g 1.4420 0.9470 NA NA
Goyaglycoside h 0.8718 1.0154 NA NA
Guanine 1.0143 0.8964 1.4631 1.1050
GW-9662-d5 1.0174 0.9979 NA NA
Halcinonide 0.1457 0.1067 3.9485 4.0367
Halofenozide 0.9912 1.0011 NA NA
h-d-Tyr-otbu 0.9590 1.0049 NA NA
Heptanoic acid 1.0271 0.9968 NA NA
Hexacosanoyl carnitine 1.0065 0.9992 NA NA
Hexanoylglycine 0.8677 1.0159 NA NA
Hippuric acid, o-methoxy-, methyl ester 1.1207 0.9855 NA NA
His-Phe-Glu-Asp 1.0053 0.9994 NA NA
Homocitrulline 1.0874 0.9895 NA NA
HoPhe-Abu-OH 0.8224 1.1685 0.5697 0.5438
Hovenidulcioside A2 1.0732 0.9912 NA NA
H-Trp-ser-OH 0.9581 0.9063 1.2697 1.3296
Hydantoin-5-propionic acid 1.4870 0.9416 NA NA
Hydramethylnon 0.8194 0.9424 1.2891 1.1728
Hydroxy-beta-cyclocitral 0.5455 1.0545 NA NA
Hydroxybuprenorphine 0.8405 1.0191 NA NA
Hydroxychlorobactene glucoside 1.0067 0.9992 NA NA
Hydroxyspheroidenone 1.0217 0.9974 NA NA
Hydroxyzine 1.1781 0.9786 NA NA
Hyp-Ile 1.0956 0.9885 NA NA
Hypoxanthine 1.3417 1.2803 0.0327 0.0403
Icilin 1.4744 0.9431 NA NA
Ile-Asp-Lys-Lys 1.2708 0.9675 NA NA
Ile-Phe 1.0832 0.9900 NA NA
Ile-Phe-Gln-Glu 1.3000 0.9640 NA NA
Ile-Phe-Val-Lys 1.5369 1.2215 0.1247 0.1644
Iliren 1.1400 0.9832 NA NA
Imidazoleacetic acid 1.0725 0.9913 NA NA
Indirubin-3^-monoxime 1.3643 1.1726 0.2963 0.3570
Indol-3-yl sodium phosphate 0.8050 1.0234 NA NA
Indole-3-acetamide 0.9519 1.0058 NA NA
Indole-5-carboxylic acid 0.5005 1.0599 NA NA
Indolizine,6,7,8-tetrahydroxy-, (1S,6R,7S,8R)- 1.0514 0.9938 NA NA
Indoxyl sulfate 1.6826 1.1113 0.4716 0.3552
Inosine diphosphate 0.5767 1.0508 NA NA
Inositol 0.9657 0.9848 1.0656 1.0483
inositol-1-phospho-N-(2-hydroxyhexacosanoyl)-4R-hydroxysphinganine 1.2057 0.9753 NA NA
Isatin 1.0776 0.9907 NA NA
Isobutyric acid 1.0487 0.9942 NA NA
Isodeoxycholic acid 0.8896 1.0133 NA NA
Isoeugenol 0.7688 1.0277 NA NA
Isoguvacine 0.4053 0.4982 2.7336 2.7013
Isoliquiritigenin 1.6009 0.9279 NA NA
Isomaltulose 0.5712 0.4143 2.3863 3.5796
Isopentenyladenine 1.0938 0.9887 NA NA
(-)-Isopiperitenone 1.0115 0.9986 NA NA
Isoproterenol 1.1847 0.9778 NA NA
Isoquercitrin 0.9515 1.0058 NA NA
Isotanshinone II 1.2807 0.9663 NA NA
Jasmonic acid 1.0000 1.0000 NA NA
JWH 007-d9 1.2654 0.9682 NA NA
Kainic acid 1.1896 0.9772 NA NA
Keto-Deoxy-Nonulonic acid 1.3908 1.1955 0.2587 0.2907
Labd-13-en-8alpha-,15 diol 0.9872 1.0015 NA NA
Lactose 0.2366 0.1684 3.6843 3.8780
L-Alanine 1.0715 0.9914 NA NA
Lansine 1.0100 0.9988 NA NA
Laricitrin 3-glucoside 1.3185 0.9618 NA NA
L-Asparagine, N-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]- 0.9662 1.0041 NA NA
L-Aspartic acid 0.8718 1.0154 NA NA
L-Carnitine 0.1356 0.1787 3.6133 3.9809
L-cystathionine 0.4102 0.3701 3.1043 3.0989
L-cysteinyl-L-proline 0.0104 0.0117 4.3651 4.2652
Leonurine 0.9419 1.0070 NA NA
Lestaurtinib 1.0880 0.9894 NA NA
Letermovir 1.4215 0.9494 NA NA
Leu-Ala-Arg 1.0379 0.9954 NA NA
Leu-Arg-Leu 1.2423 1.2780 0.0771 0.0812
Leu-Gln-Ile-Arg 1.0139 0.9983 NA NA
Leu-Ile-Tyr-Thr-Asn 1.0423 0.9949 NA NA
Leu-Lys 1.1347 0.9838 NA NA
Leu-Thr-Ser-Lys 1.3905 0.9531 NA NA
Leu-Tyr-Gln-Glu 0.7516 1.0298 NA NA
Leu-Tyr-Ser-Lys-Ser 1.0821 0.9901 NA NA
L-Fucose 1.2396 0.9712 NA NA
L-Galactonic acid 1.7863 1.0118 0.6221 0.7572
L-Gulonolactone 1.0585 1.2278 0.2888 0.3041
L-Homoarginine 0.7608 1.0287 NA NA
L-Homocysteic acid 1.1108 0.9867 NA NA
L-Iditol 1.1019 0.9878 NA NA
Linezolid 0.7403 1.0312 NA NA
Lipoamide 1.0156 0.9981 NA NA
L-isoleucyl-L-asparagine 1.1792 0.9785 NA NA
Lithocholic acid 1.3579 1.2008 0.2682 0.2692
Lithospermoside 0.9754 1.0030 NA NA
L-lyxose 1.0680 0.9918 NA NA
l-Menthol 1.1200 0.9856 NA NA
L-N5-(1-Imino-3-pentenyl) ornithine 0.9209 1.0095 NA NA
L-Naspa 1.0943 0.9887 NA NA
Lobeline 0.7288 1.0325 NA NA
Lolicine B 1.0510 0.9939 NA NA
Lombricine 0.5728 1.0513 NA NA
Lonidamine 1.9687 0.8838 NA NA
LPC(0:0/22:5) 0.9039 1.0115 NA NA
LPE(18:1/0:0) 0.8340 0.7110 1.8437 2.0324
LPE(20:5/0:0) 1.0893 0.9893 NA NA
L-Saccharopine 1.0235 0.9972 NA NA
L-Stercobilinogen 2.1546 1.1484 0.0191 0.0262
L-Theanine 1.1038 0.9875 NA NA
L-Thyronine 1.3461 0.9585 NA NA
L-Tyrosine 1.2851 1.2110 0.2449 0.2892
L-Tyrosyl-L-Threonine 1.3482 1.2508 0.1180 0.1278
Lubiprostone 1.1646 0.9802 NA NA
Lycoricidine 1.3029 0.9636 NA NA
Lys-Gly-Asp-Ser 1.2018 0.9758 NA NA
Lys-Lys-Leu-Phe-Tyr 0.8535 1.0176 NA NA
Lys-Nap-OH 0.8347 1.0198 NA NA
Lys-Thr 1.2812 0.9663 NA NA
Lys-Thr-Ser-Asp 1.1357 0.9837 NA NA
Lysyl-Isoleucine 1.0617 0.9926 NA NA
Macrocarpal C 0.8224 1.0213 NA NA
Magnolol 1.1469 0.9824 NA NA
Maleic hydrazide 1.1006 1.1498 0.4850 0.5515
Malic acid 1.3321 1.2454 0.0858 0.1352
Malonic acid 0.9336 0.8524 1.6579 1.2231
Maltitol 0.6293 0.8140 1.7826 1.5756
Maltotriose 1.1784 1.0093 0.8886 0.9326
Mancinellin 0.9780 1.0026 NA NA
Mandelonitrile 1.2827 0.9661 NA NA
Mannitol 1.5098 1.1218 0.4937 0.3969
Mannose 1-phosphate 0.8844 1.0139 NA NA
Margrapine A 0.9926 1.0009 NA NA
Marmesin 0.9606 1.0047 NA NA
m-Cresol 0.9784 1.0026 NA NA
Mebhydrolin 0.9737 1.0032 NA NA
Mefenamic acid 0.8664 1.0160 NA NA
Melatonin 0.7691 1.1742 0.5031 0.6334
Melibiose 0.4587 0.4879 2.4701 3.0631
Melilotocarpan C 1.0798 0.9904 NA NA
Melphalan 1.3724 0.9553 NA NA
Metamitron 1.0619 0.9926 NA NA
Methotrexate 1.3709 0.9555 NA NA
Methyl 2-hydroxybenzoate 1.0847 0.9898 NA NA
Methyl dihydrogen phosphate 0.5802 1.0504 NA NA
Methyldiphenylphosphine oxide 1.2314 0.9722 NA NA
Methylmercury chloride 0.7883 1.0254 NA NA
Methylpyrazine 0.8768 1.0148 NA NA
Met-Leu-Arg-Ala-Ala 1.1170 0.9860 NA NA
Met-Thr 0.9507 1.0059 NA NA
Minaprine 1.0265 0.9968 NA NA
Modafinil 0.9894 1.0013 NA NA
Morellinol 0.9646 1.0042 NA NA
Morphine 0.7392 1.0313 NA NA
Mucronine D 0.9962 1.0005 NA NA
Mytatrienediol 1.1621 0.9805 NA NA
N-(1-Deoxy-1-fructosyl)tyrosine 0.3450 0.2550 3.2606 3.7380
N-(2-methyl-3-chloro-5-hydroxyphenyl)anthranilic acid 1.0882 0.9894 NA NA
N-(2-Oxotetrahydrofuran-3-YL)octanamide 1.1302 0.9844 NA NA
N2-Tryptophyllysine 1.0509 0.9939 NA NA
N-(3-Chlorophenyl)-6,7-dimethoxyquinazolin-4-amine 1.2700 0.9676 NA NA
N-(3-Hydroxypropyl)phthalimide 0.9670 1.0040 NA NA
N-3-oxo-hexadec-11(Z)-enoyl-L-Homoserine lactone 1.1659 0.9801 NA NA
N-[(3S)-2-oxothiolan-3-yl]butanamide 0.9871 1.0015 NA NA
N-[(3S)-Tetrahydro-2-oxo-3-furanyl]octadecanamide 1.4115 1.2495 0.1048 0.1013
N-(4-(1H-1,2,3-triazol-1-yl)benzyl)-2-(2-isopropylphenyl)-5-methylpyrimidin-4-amine 0.7416 1.0310 NA NA
Nabumetone 1.2870 0.9656 NA NA
N-Acetyglutamic acid 0.9766 1.0028 NA NA
N-Acetyl-L-alanine 1.2072 1.1671 0.3948 0.4614
N-Acetylleucine 1.0734 0.9912 NA NA
N-Acetyl-L-tryptophanamide 1.1314 0.9842 NA NA
N-Acetylneuraminic Acid(SA) 1.0859 0.9897 NA NA
N-Acetylproline 1.0664 0.9920 NA NA
N-Acetylthreonine 0.6629 1.0405 NA NA
N-(Adamant-1-yl)-6-isopropyl-4-oxo-1-pentyl-1,4-dihydroquinoline-3-carboxamide 1.0943 0.9887 NA NA
Nalidixic acid 1.0636 1.1392 0.3934 0.5332
N-Alpha-acetyllysine 0.9344 1.0079 NA NA
Naphthalene-2,6-disulfonic acid 0.7084 1.0350 NA NA
N-Arachidonoyl-L-Alanine 0.9400 1.0072 NA NA
N-Arachidonoyl-L-Serine 1.3470 1.2638 0.0846 0.0826
Naringin dihydrochalcone 1.2243 0.9731 NA NA
Nateglinide 1.0602 0.9928 NA NA
N-(benzenesulfonyl)-2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetamide 1.0043 0.9995 NA NA
NCGC00169728-02_C16H22N2O4_N-Acetylphenylalanylvaline 1.5314 0.9362 NA NA
NCGC00380859-01_C20H26O5_(5xi,6alpha,7beta)-6,11,12-Trihydroxy-7,20-epoxyabieta-8,11,13-trien-20-one 1.2011 0.9759 NA NA
NCGC00384613-01_C25H40O5_(5beta,8alpha,9beta,10alpha,13alpha,16beta)-16-Hydroxy-17-[(3-methylbutanoyl)oxy]kauran-18-oic acid 1.1235 0.9852 NA NA
N-(dodecanoyl)-sphing-4-enine-1-phosphocholine 0.9930 1.0008 NA NA
Neoacrimarine J 0.8249 1.0210 NA NA
(-)-Neplanocin A 1.3200 0.9616 NA NA
N-ethyl-2-formylhydrazinecarbothioamide 1.0939 0.9887 NA NA
N-Ethyl-9alpha, 11alpha, 15S-trihydroxy-prosta-5Z, 13E-dien-1-amide 1.1424 0.9829 NA NA
N-ethylene glycol neuraminic acid 1.1409 0.9831 NA NA
N-Formylmethionine 0.8898 1.0132 NA NA
N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 1.0020 0.9998 NA NA
Nicotinic acid adenine dinucleotide 0.9085 0.7863 1.5012 1.8942
Nidifidienol 1.0323 1.2545 0.1719 0.1386
Niflumic acid 0.7151 1.0342 NA NA
Nitroxoline 0.9721 1.0034 NA NA
N-methyl-L-glutamic Acid 1.0445 0.9947 NA NA
N,N^-(acridine-3,6-diyl)diacetamide 0.7002 1.0360 NA NA
N,N-Dimethyl-L-histidine 1.2853 0.9658 NA NA
Nocodazole 1.0628 0.9925 NA NA
Nonivamide 0.8815 1.0142 NA NA
Nordihydrocapsiate 1.3041 1.1915 0.3180 0.3132
Norfloxacin 0.9664 1.2099 0.3824 0.3821
nor-NOHA 0.6451 1.0426 NA NA
Norpropoxyphene carbinol 1.0508 0.9939 NA NA
Noscapine 2.0878 0.8695 NA NA
Nostocyclopeptide A1 1.0959 0.9885 NA NA
N-phenylbiphenyl-4-carboxamide 0.9816 1.0022 NA NA
N-Propionylglycine 1.1274 0.9847 NA NA
Nylidrin 2.2255 0.8529 NA NA
Occidentoside 1.6716 0.9194 NA NA
Octyl formate 1.1348 0.9838 NA NA
Oglufanide 1.6260 0.9249 NA NA
Oleandolide 1.2240 0.9731 NA NA
Oleic Acid-biotin 0.8522 1.0177 NA NA
Olivacine 0.6213 1.0454 NA NA
O-Phospho-DL-threonine 0.5118 1.0586 NA NA
O-phospho-L-threonine 1.0034 0.9996 NA NA
O-Phospho-L-tyrosine 1.0870 0.9809 0.9286 1.1499
Orotic acid 0.9887 1.2146 0.3370 0.3896
O-succinylcarnitine 1.0959 0.9885 NA NA
Oxaprozin 0.8178 1.0219 NA NA
Oxiglutatione 0.9953 1.0006 NA NA
Oxopurpureine 0.8522 1.0177 NA NA
Ozagrel hydrochloride 1.1255 0.9849 NA NA
PA(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 1.1842 0.9779 NA NA
PA(22:0/22:4(7Z,10Z,13Z,16Z)) 0.8150 0.7454 3.3064 3.3069
Pachyrrhizone 1.8338 1.2140 0.0568 0.0589
Palmitoleoyl 3-carbacyclic Phosphatidic Acid 0.9685 1.0038 NA NA
p-Aminobenzoic acid 1.1733 1.2483 0.1753 0.1398
Paromamine 1.0563 0.9932 NA NA
Paucin 1.1041 0.9875 NA NA
PC(15:0/20:4(5Z,8Z,11Z,14Z)) 0.8299 1.0204 NA NA
PC(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 0.8247 1.0210 NA NA
PC(22:2(13Z,16Z)/24:1(15Z)) 1.1896 0.9773 NA NA
PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 0.8971 1.0123 NA NA
PC(DiMe(11,5)/DiMe(13,5)) 1.0241 0.9971 NA NA
PC(P-18:0/22:4(7Z,10Z,13Z,16Z)) 0.8791 1.0145 NA NA
P-Dichlorobenzene 1.1090 0.9869 NA NA
Pelargonic acid 0.9484 1.0062 NA NA
Pelargonidin 0.9981 1.0002 NA NA
Pemetrexed 1.0038 0.9995 NA NA
Peniciside 1.1593 0.9809 NA NA
Pentadecanoic acid 1.0518 0.9938 NA NA
Pentobarbital 1.0757 0.9909 NA NA
Peonidin chloride 0.6726 1.0393 NA NA
Perillic acid 1.0058 0.9993 NA NA
PG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 0.7258 1.0329 NA NA
PG(18:0/22:4(7Z,10Z,13Z,16Z)) 1.0607 0.9927 NA NA
PGF3α 1.1341 0.9839 NA NA
Phe-Asp-Arg 1.1772 0.9787 NA NA
Phenazocine 0.9772 1.0027 NA NA
Phenindione 1.0830 0.9900 NA NA
Phenylacetone 1.0701 0.9916 NA NA
Phenylalanylglycylarginine 1.2328 0.9721 NA NA
Phenylalanylserine 1.1031 0.9876 NA NA
Phenyl dihydrogen phosphate 0.9845 1.0019 NA NA
Phe-Ser-Leu-Phe-Asp 1.4589 0.9449 NA NA
Phe-Ser-Tyr-Asp 1.2027 0.9757 NA NA
Phe-Trp-Leu 0.9651 1.0042 NA NA
Phlorizin 1.2133 0.9744 NA NA
Phosphatidylinositol(18:1/18:1) 0.8629 1.0165 NA NA
Phosphoric acid 0.9129 1.1159 0.6617 0.7118
Phosphoserine 1.7424 0.9109 NA NA
Phthalic acid 1.1236 0.9852 NA NA
Phytolaccasaponin G 0.9161 1.0101 NA NA
Pimelic Diphenylamide 106 1.5161 1.2382 0.1051 0.0924
Pinolenic acid 1.6609 1.0730 0.5831 0.4922
Pipecolic acid 1.0740 0.9911 NA NA
Pivalic acid 1.0123 0.9985 NA NA
p-Lactophenetide 1.2102 0.9748 NA NA
Platensimycin 0.9420 1.0070 NA NA
PM-toxin B 1.0689 0.9917 NA NA
Polyoxin B 1.9423 0.8869 NA NA
Porphobilinogen 1.1327 0.9841 NA NA
Portulacaxanthin I 0.5977 1.0483 NA NA
Potassium bicarbonate 0.8420 1.0190 NA NA
Practolol 1.2399 0.9712 NA NA
Prednisolone acetate 1.4010 0.9519 NA NA
Prenalterol 1.2180 0.9738 NA NA
Pretetramid 0.9827 1.0021 NA NA
Primidone 0.9028 1.0117 NA NA
Pro-Glu-Leu-Ala-Lys 1.6326 1.2504 0.0210 0.0212
Propanoyl phosphate 1.4369 0.9476 NA NA
Propionic acid 1.0196 0.9976 NA NA
Propionic acid, 2-amino-3-ureido- 1.0264 0.9968 NA NA
Prostaglandin F2alpha methyl ester 1.0348 0.9958 NA NA
Prostaglandin F2 Ethanolamide-d4 1.0121 0.9986 NA NA
Prostaglandin K1 1.3806 1.2810 0.0231 0.0161
Prostratin 0.9073 1.0111 NA NA
Protionamide 1.0028 0.9997 NA NA
Protoaescigenin 1.3653 0.9562 NA NA
PS(22:0/22:4(7Z,10Z,13Z,16Z)) 0.9715 1.0034 NA NA
PS(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) 0.8593 1.0169 NA NA
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) 1.2430 0.9708 NA NA
PS(DiMe(11,3)/MonoMe(11,5)) 1.1924 0.9769 NA NA
Pseudouridine 1.2169 1.2697 0.0824 0.0685
PtdIns-(5)-P1(1,2-dioctanoyl) 0.9170 1.0100 NA NA
Pterin 1.6138 0.9263 NA NA
p-Toluenesulfonic acid 0.8591 1.0169 NA NA
p-Toluenesulfonic acid monohydrate 0.4701 1.0636 NA NA
Purine 1.3079 1.2249 0.1999 0.1601
Purpurin 1.1473 0.9823 NA NA
Pyridoxal hydrochloride 1.0269 0.9968 NA NA
Pyridoxamine phosphate 0.8163 1.0220 NA NA
Pyriftalid 1.5548 0.9334 NA NA
Pyritinol 1.2435 0.9708 NA NA
Pyrophosphate 0.9503 1.0060 NA NA
Quadrigemine A 1.1292 0.9845 NA NA
Queuosineueuosine 1.2935 0.9648 NA NA
Quinmerac 0.9043 1.0115 NA NA
Quinoline-4-carboxylic acid 0.8160 1.0221 NA NA
Quinovic acid 3-O-(6-deoxyglucoside) 28-O-glucosyl ester 1.5830 0.9300 NA NA
Ractopamine hydrochloride 1.3488 0.9581 NA NA
Radafaxine 1.1264 0.9848 NA NA
RA-Xix 1.4440 0.9467 NA NA
(R)-dihydrolipoic acid 1.2982 0.9642 NA NA
Rhein 0.8725 0.8462 1.5393 1.5154
Rhodovibrin 1.0942 0.9887 NA NA
Ribonolactone 1.0111 1.1924 0.3963 0.3380
Ribose-1-phosphate 1.0974 0.9883 NA NA
Rifamycin 1.1507 0.9819 NA NA
Rifamycin W 1.1357 0.9837 NA NA
Rifamycin W-hemiacetal 0.9177 1.0099 NA NA
Riluzole 1.1113 0.9866 NA NA
(R)-Naproxen 1.1290 1.2203 0.2238 0.2424
Robinin 0.5736 1.0512 NA NA
Robustine 1.1744 0.9791 NA NA
Rotenonic acid 1.1151 0.9862 NA NA
(Rs)-Mevalonic Acid 1.0210 0.9975 NA NA
Rubitecan 1.0011 0.9999 NA NA
Rugulosin 0.9778 0.8520 1.3434 1.5902
Rutaecarpine 1.3966 0.9524 NA NA
(S)-2-Azetidinecarboxylic acid 1.3058 1.2525 0.1504 0.1098
(S)-2-O-sulfolactic acid 1.3474 0.9583 NA NA
(S)-3,7-Dimethyl-1,6-octadiene 1.0625 0.9925 NA NA
(S)-3-Hydroxyisobutyric acid 0.8751 1.0150 NA NA
Saccharin 0.5411 1.0551 NA NA
Saikosaponin BK1 1.1277 0.9847 NA NA
Salicin 1.1635 0.9804 NA NA
Salidroside 1.3297 0.9604 NA NA
Samandarone 1.1630 0.9804 NA NA
Santonine, oxime 0.7678 1.0279 NA NA
Sapropterin 1.2448 0.9706 NA NA
Saroglitazar 1.0687 0.9918 NA NA
(S)-Atpa 1.1312 0.9843 NA NA
Secoisolariciresinol diglucoside 0.6688 1.0397 NA NA
Secophenol 0.6406 1.0431 NA NA
Ser-Glu-Tyr-Glu 1.0206 0.9975 NA NA
Ser-Ile-Asn-Lys 0.9735 1.0032 NA NA
Ser-Trp 0.9757 1.0029 NA NA
Ser-Tyr-Asp-Glu 1.1878 0.9775 NA NA
Ser-Val-Asn-Glu 1.4076 0.9511 NA NA
Serylthreonine 1.2256 1.1708 0.3906 0.4266
Silibinin 0.8023 1.1934 0.4760 0.5102
Silymonin 0.8563 1.0172 NA NA
Siphonol B 1.0899 0.9892 NA NA
(S)-Mevalonic acid-5-pyrophosphate 0.9158 1.0101 NA NA
S-Nitroso-N-acetyl-DL-penicillamine 1.2290 0.9725 NA NA
Sophoraisoflavanone A 1.0358 0.9957 NA NA
Sorbitan 1.0043 0.9995 NA NA
Sotalol hydrochloride 1.1125 0.9865 NA NA
Sphinganine 1-phosphate 0.9594 1.0049 NA NA
Sphingosine-1-phosphocholine 1.1313 0.9842 NA NA
spiperone 1.0872 0.9895 NA NA
Squamocin L 1.1777 0.9787 NA NA
S-Sulfo-L-Cysteine 0.8819 1.0142 NA NA
Stachyose 0.1393 0.1311 3.8935 3.9461
Stanozolol 1.2851 1.2671 0.0668 0.0463
Stearyl citrate 0.9784 1.0026 NA NA
Streptomycin 6-phosphate 1.1329 0.9841 NA NA
Streptothricin F 1.2026 0.9757 NA NA
Suberic acid 1.3254 1.2740 0.0625 0.0589
Suberylglycine 1.1861 1.0382 0.8298 0.8040
Sulfacetamide 0.5888 1.0493 NA NA
Sulfaguanidine 1.0162 0.9981 NA NA
Sulfamethoxypyridazine 0.8719 1.0154 NA NA
Sulfanilic acid 1.1063 0.9872 NA NA
Sulfapyridine 1.1897 0.9772 NA NA
Sulfathiazole 0.9738 1.0031 NA NA
Sulfisomidine 0.9448 1.0066 NA NA
Sulfoacetic acid 0.8648 1.0162 NA NA
Suxibuzone 1.4817 0.9422 NA NA
Syringetin-3-o-glucoside 0.8992 1.0121 NA NA
Tafluprost acid 1.0894 0.9893 NA NA
Tamibarotene 0.9042 1.0115 NA NA
Tasimelteon 0.8692 1.0157 NA NA
Taurine 0.9087 0.8341 1.5942 1.4493
Taurocyamine 0.2663 0.4061 3.1643 3.0917
Tebufenpyrad 1.2588 0.9689 NA NA
Terbacil 2.6661 0.8001 NA NA
Terephthalic acid 0.8694 1.0157 NA NA
tetracenomycin F1 methyl ester 1.2991 0.9641 NA NA
Tetracycline 0.9313 1.0082 NA NA
Tetrahydrofurfuryl acetate 1.1914 0.9770 NA NA
Tetrahydropapaveroline 1.1430 0.9828 NA NA
tetranor-PGDM-d6 1.0377 0.9955 NA NA
Tetraphyllin B 1.2485 0.9702 NA NA
TG(14:0/14:1(9Z)/14:1(9Z)) 0.9930 1.0008 NA NA
TG(14:1(9Z)/14:1(9Z)/16:1(9Z)) 1.1557 0.9813 NA NA
TG(15:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1.0766 0.9908 NA NA
TG(15:0/20:1(11Z)/20:1(11Z)) 0.6468 1.0424 NA NA
TG(15:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 1.0790 0.9905 NA NA
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) 1.0452 0.9946 NA NA
TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1.0242 0.9971 NA NA
TG(18:3(9Z,12Z,15Z)/14:0/18:3(9Z,12Z,15Z)) 0.8153 1.0222 NA NA
TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 1.4000 0.9520 NA NA
TG(20:2n6/20:1(11Z)/18:3(9Z,12Z,15Z)) 1.3689 0.9557 NA NA
Thermozeaxanthin-15 1.8851 0.8938 NA NA
Thiabendazole 1.1058 1.1133 0.5821 0.6730
Thiocyclam 1.5064 0.9392 NA NA
Thiodiglycolic acid 1.0525 0.9937 NA NA
Thionalide 1.1027 0.9877 NA NA
Thiopental 0.4356 1.0677 NA NA
Thonzylamine 1.1884 0.9774 NA NA
THOS Streptonigrin 0.9724 1.0033 NA NA
Thr-Asn-Ile-Asp 0.6172 1.0459 NA NA
Thr-Asp 1.1751 0.9790 NA NA
Thr-Lys-Gln-Lys 1.4893 1.0953 0.6334 0.4168
Thrombin Receptor Activator for Peptide 5 (TRAP-5) 0.9991 1.0001 NA NA
Thr-Ser-Phe-Asp 0.8255 1.0209 NA NA
Thymidine 1.3401 1.2612 0.1007 0.0851
Thymidine-5^-phosphate 0.9351 1.0078 NA NA
Thymine 0.9905 1.0011 NA NA
Thyroxine sulfate 1.1631 0.9804 NA NA
Tiapride 1.1258 0.9849 NA NA
Ticlopidine N-Oxide 1.0727 0.9913 NA NA
Tiglylglycine 1.0739 0.9911 NA NA
Tolfenamic acid 0.9247 1.0090 NA NA
Tolmetin sodium dihydrate 0.7136 1.0344 NA NA
Toluene 0.8411 1.0191 NA NA
Totarol-19-carboxylic acid 0.7034 1.0356 NA NA
Tovophyllin B 0.7770 1.0268 NA NA
trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide 0.7714 1.0274 NA NA
trans-2-Octenoic acid 1.0470 0.9944 NA NA
trans-4-Nonenal 1.1420 0.9830 NA NA
trans-Anol 0.7563 1.2480 0.2484 0.2623
Trehalose 0.1831 0.1423 4.1041 3.5658
trichostatin A 0.8924 1.0129 NA NA
Tricyclazole 1.1119 0.9866 NA NA
Trilinolein 0.9271 1.0088 NA NA
Triptophenolide 1.3391 1.2676 0.0814 0.0667
Tropisetron 0.9373 1.0075 NA NA
Tucidinostat 1.1012 0.9879 NA NA
Turanose 0.3416 0.1747 3.7566 3.6577
Tyr-Asn-Gln-Asp 0.4647 1.2216 0.4421 0.5355
Tyr-Glu-Gln-Asp 0.7152 1.0342 NA NA
TyrMe-Abu-OH 0.9329 1.0081 NA NA
Tyr-Met-OH 1.2022 1.1313 0.5377 0.5277
TyrMe-TyrMe-OH 1.0900 0.9892 NA NA
Tyr-Nap-OH 2.2888 0.8453 NA NA
Tyr-Phe4Cl-OH 1.4679 0.9439 NA NA
Tyrphostin A51 1.2058 0.9753 NA NA
Tyr-Tyr-Arg 1.4255 0.9489 NA NA
UDP-N-acetylmuraminate 0.8887 1.0134 NA NA
Undeca-2-ene-8,10-diynoic acid isobutylamide 1.0885 0.9894 NA NA
Undecylenic acid 1.0661 0.9921 NA NA
Undecylprodigiosin 0.4867 1.0616 NA NA
Unii-27F71M186X 1.0530 0.9936 NA NA
Unii-974utb4yau 1.0454 0.9946 NA NA
Uric acid 0.8985 1.0122 NA NA
Uridine 1.1417 1.2287 0.2747 0.2480
Uridine-5^-monophosphate 1.1104 0.9088 1.0325 1.4898
Uridine-diphosphate-N-acetylglucosamine 1.1214 1.2144 0.3109 0.3158
Uvaricin 1.8349 0.8998 NA NA
Val-Ala-Ser-Asp 1.0827 0.9901 NA NA
Val-Asn-Leu-Pro-Ile 1.3226 0.9613 NA NA
Val-Asp 0.8145 0.7931 1.6608 1.7215
Valeric acid 1.0303 0.9964 NA NA
Val-Gln 1.4618 1.2466 0.0935 0.0948
Val-HoPhe-OH 1.0331 0.9960 NA NA
Valproic acid 1.1834 0.9780 NA NA
Valylcysteine 0.7014 1.0358 NA NA
Velloquercetin 1.0073 0.9991 NA NA
Verimol J 1.0422 0.9949 NA NA
Vicenistatin 1.2128 0.9745 NA NA
Vicianin 0.8076 1.0231 NA NA
Vinaginsenoside R11 1.2239 0.9731 NA NA
Xanthochymuside 1.1368 0.9836 NA NA
Xanthosine 1.1652 0.9802 NA NA
Xanthurenic acid 0.7909 0.5926 2.3587 2.2195
Xanthurenic acid 8-methyl ether 1.1613 0.9806 NA NA
xi-7-Hydroxyhexadecanedioic acid 1.1543 0.9815 NA NA
Xylitol 1.2475 1.1460 0.4650 0.4829
Xylose 1.0276 0.9967 NA NA
Yuzu-Lactone 0.9497 1.1077 0.7083 0.6778
(Z)-(4-hydroxyphenyl)acetaldehyde oxime 1.2443 0.9707 NA NA
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoic acid 1.0591 0.9929 NA NA
(Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]-N-ethylhept-5-enamide 1.5168 0.9380 NA NA
Z-Ala-Asn-OH 0.9987 1.0002 NA NA
Zaltoprofen 0.7432 1.0308 NA NA
(Z)-N-[5-[5-[(3aS,4R,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentyl]-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enamide 1.0881 0.9894 NA NA
Zoledronic acid 1.0274 0.9967 NA NA
Zonisamide 0.8528 1.0177 NA NA
Zoxazolamine 1.0099 0.9988 NA NA
Zuclopenthixol 1.3170 0.9620 NA NA
α-Ketoglutaric Acid (α-KG) 1.2061 1.2633 0.1316 0.1415
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Sample source:QC | Factor:QC
F2Sample source:Swine feces | Factor:Non Heat
F3Sample source:Swine milk | Factor:Heat
F4Sample source:Swine milk | Factor:Non Heat
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