Data for (Study ST004088)

(Analysis AN006776)

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

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MetaboliteF1F2F3F4
(10E,15Z)-9,12,13-Trihydroxyoctadeca-10,15-dienoic acid_RT2 NA 1.3427 NA 0.4860
10-Nitrooleic acid_RT1 NA 0.7042 NA 1.4437
11-dehydro TXB2 NA 0.9898 NA 1.0102
11Z-octadecen-9-ynoic acid NA 0.7930 NA 1.2070
11Z-Octadecenylcarnitine_RT2 NA 0.9359 NA 1.1281
12,13-EpOME NA 0.9055 NA 1.0945
1,2,3-Benzenetriol_RT2 NA 0.9883 NA 1.0117
1-(2,4-Dimethoxyphenyl)-1H-pyrrole-2,5-dione NA 1.3363 NA 0.6637
12-amino-dodecanoic acid NA 0.9378 NA 1.0622
12-HOME(10E) NA 0.6722 NA 1.3278
12-Hydroxy-12-octadecanoylcarnitine_RT5 NA NA NA 1.0000
1-(2-Hydroxyethyl)-2,2,6,6-tetramethyl-4-piperidinol NA 0.9090 NA 1.0910
12-oxo-13-hydroxy-9-octadecenoic acid_RT4 NA 1.1332 NA 0.8668
1-(2-Pyrimidinyl)-3-piperidinamine NA 0.9569 NA 1.0431
1,2-tetracosanediol NA 1.0000 NA NA
13^-Carboxy-alpha-tocotrienol NA 0.9554 NA 1.0446
13-HOTE_RT1 NA 0.9731 NA 1.0403
(.+/-.)13-HpODE_RT3 NA 1.0512 NA 0.9488
13-OxoODE_RT1 NA 0.9882 NA 1.0177
13-OxoODE_RT3 NA 1.0655 NA 0.9345
14-Deoxy-12-hydroxyandrographolide NA 0.9883 NA 1.0117
1,4-Dibutyl benzene-1,4-dicarboxylate_RT1 NA 1.2959 NA 0.9014
1,4-Dibutyl benzene-1,4-dicarboxylate_RT2 NA 1.0941 NA 0.9059
14-Epiandrographolide NA 0.9887 NA 1.0113
1-(4-Fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ol NA 0.9363 NA 1.0637
15-HETE-DA NA 1.3684 NA 0.6316
15-keto-PGE2 NA 0.9867 NA 1.0133
15(R),19(R)-Hydroxyprostaglandin E2 NA 0.9901 NA 1.0099
15(S)-15-methyl PGF2.alpha. isopropyl ester_RT1 NA 1.1588 NA 0.8941
15(S)-15-methyl PGF2.alpha. isopropyl ester_RT2 NA 1.6393 NA 0.3607
1,6-Dimethoxy-9H-carbazole-3-carboxaldehyde_RT2 NA 1.0831 NA 0.9723
16-phenoxy tetranor PGF2.alpha. methyl amide NA 0.2354 NA 1.7646
17-Acetoxygrindelic acid NA 1.3732 NA 0.6268
17-trans-Prostaglandin E3 NA 0.9904 NA 1.0096
1-(8-[5]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol_RT2 NA NA NA 1.0000
1,8-Octanedithiol_RT3 NA 0.9751 NA 1.0249
18-oxo-nonadecanoic acid NA 0.7845 NA 1.2155
1,9-Dideoxyforskolin NA 1.3685 NA 0.6315
19R-hydroxy-PGA2 NA 0.9864 NA 1.0136
19R-hydroxy-PGB2 NA 0.9892 NA 1.0108
19(R)-Hydroxyprostaglandin B2 NA 0.9870 NA 1.0130
1alpha,25-dihydroxy-24-oxo-22-oxavitamin D3 / 1alpha,25-dihydroxy-24-oxo-22-oxacholecalciferol_RT3 NA 1.0000 NA NA
1alpha,25-dihydroxy-24-oxo-22-oxavitamin D3 / 1alpha,25-dihydroxy-24-oxo-22-oxacholecalciferol_RT4 NA 1.0000 NA NA
1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / 1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cholecalciferol NA 1.0165 NA 0.9835
(1aR,2Z,4aR,6S,7S,7aR,8S,9R,11aS)-4a,7,8-Trihydroxy-1,1,3,6-tetramethyl-1a,4a,5,6,7,7a,8,10,11,11a-decahydrospiro[cyclopenta[a]cyclopropa[f][11]annulene-9,2^-oxiran]-4(1H)-one NA 0.9879 NA 1.0121
1-(Dimethylamino)-3-(1-naphthyloxy)-2-propanol NA 0.9627 NA 1.0373
1-Formyl-L-tryptophan NA 1.1614 NA 0.8386
1H-Indazole-3-carboxamide, 1-(5-fluoropentyl)-N-8-quinolinyl- NA 1.0498 NA 0.9502
1H-Indazole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-pentyl- NA 0.9002 NA 1.0998
1-Isothiocyanato-7-(methylthio)heptane NA 0.9147 NA 1.0853
1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol NA 0.9564 NA 1.0436
1-Methyl-4-(4^-hydroxystyryl)pyridinium cation NA 0.8716 NA 1.1284
1-Monopalmitin NA 0.7620 NA 1.2380
1-Nitro-2-phenoxybenzene NA 1.1422 NA 0.8578
1-Propenyl propyl disulfide_RT2 NA 0.9321 NA 1.0679
[(1S,2R,4aR,8aR)-1-Hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] 2,3-dimethyloxirane-2-carboxylate NA 0.8864 NA 1.1136
2-(1-Hydroxycyclopentyl)-2-phenylacetic acid NA 1.0533 NA 0.9201
2,2^,6,6^-Tetra-tert-butyldiphenylquinone NA 1.0000 NA NA
2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene NA 0.9522 NA 1.0478
2-(2-Oxo-2-(quinolin-3-ylamino)ethyl)benzoic acid_RT1 NA 0.9945 NA 1.0055
2-(2-Oxo-2-(quinolin-3-ylamino)ethyl)benzoic acid_RT3 NA 0.9455 NA 1.0545
2,3,5,6-Tetrafluoro-4-hydrazinopyridine NA 1.4437 NA 0.5563
2,3-Dihydroxybenzonitrile NA 0.8704 NA 1.1296
2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one NA 0.8936 NA 1.1064
(23R)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone_RT2 NA 1.4152 NA 0.5848
(23R)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone_RT4 NA 1.1319 NA 0.7362
(23R)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone_RT5 NA 1.1394 NA 0.8606
2,4-Dihydroxy-2,5-dimethyl-3(2H)-furanone NA 0.9905 NA 1.0095
2,5-Dimethyl-3,4-diphenyl-2,4-cyclopentadien-1-one_RT1 NA 1.0047 NA 0.9953
(25R)-11alpha,20,26-trihydroxyecdysone NA 1.0268 NA 0.9732
2-(Acetylamino)-N-[2-(1-piperidinyl)phenyl]-1,3-thiazole-4-carboxamide NA 0.5826 NA 1.4174
2.alpha.-Mannobiose NA 1.0224 NA 0.9776
2-Amino-1-phenylethanol NA 0.7731 NA 1.2269
2-Amino-2-ethylbutanoic acid NA 0.9179 NA 1.0821
2-Amino-4,6-dihydroxypyrimidine NA 0.9914 NA 1.0086
2-Amino-4-ethoxy-3-hydroxybutanoic acid_RT1 NA 1.0541 NA 0.9459
2-Amino-5-chloro-3-nitropyridine NA 1.0091 NA 0.9939
2-Amino-5-methylhexanoic acid NA 0.9567 NA 1.0433
2-Benzoyl-N-methylhydrazinecarbothioamide NA 1.3632 NA 0.6368
2beta,3alpha-Dihydroxy-5beta-cholan-24-oic Acid_RT1 NA 1.2774 NA 0.7226
(2-Biphenyl)dicyclohexylphosphine NA 0.9704 NA 1.0296
2-{Bis[4-(dimethylamino)phenyl]methyl}phenol NA 1.4009 NA 0.5991
2-Chloro-5-hydroxypyridine NA 1.0250 NA 0.9750
2-Chloro-6-(trifluoromethyl)benzyl alcohol NA 0.9711 NA 1.0289
2-(Chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-ol NA 0.9887 NA 1.0113
2-Chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide NA 0.9616 NA 1.0384
2-Ethyloctanoic acid NA 0.9659 NA 1.0341
2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-[[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]-4-piperidinyl]- NA 0.5119 NA 1.4881
2-Heptyl-4,5-dimethylthiazole_RT2 NA 1.0380 NA 0.9620
2-Heptylbenzothiazole_RT2 NA 0.9531 NA 1.0234
2-Heptylbenzothiazole_RT3 NA 1.0814 NA 0.8372
2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl- NA 0.7263 NA 1.2737
2-Hydroxy-3-(3,4-dihydroxyphenyl)propanamide NA 0.9625 NA 1.0375
2-Hydroxy-3-nitropropanoic acid NA 1.9938 NA 0.0062
2-Hydroxy-4-(octyloxyl)benzophenone NA 0.9682 NA 1.0318
2-Hydroxyadipic acid NA 1.0115 NA 0.9885
2^-Hydroxy-.alpha.-naphthoflavone NA 0.9946 NA 1.0054
2-Hydroxybenzene-1-carbothioamide NA 0.9819 NA 1.0181
2^-Hydroxy-.beta.-naphthoflavone NA 0.9772 NA 1.0228
2-Linoleoylglycerol NA 0.7894 NA 1.2106
2-Methylglutaric acid_RT3 NA 0.8692 NA 1.1308
2-(Methylsulfanyl)-9H-pyrimido[4,5-b]indole NA 1.3376 NA 0.6624
2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin NA 0.7415 NA 1.2585
[(2-Oxo-2-phenylethyl)sulfanyl]acetic acid NA 1.0327 NA 0.9673
2-Phenyl-1,3-thiazolidine-4-carboxylic acid NA 1.0349 NA 0.9651
2-Propylthiazolo[4,5-c]quinolin-4-amine NA 0.7781 NA 1.2219
2-Propynyl 1H-purin-6-yl sulfide NA 1.3548 NA 0.6452
2-Pyridinemethanamine, N-[[4-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)phenyl]methyl]- NA 1.0479 NA 0.9521
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside NA 1.0686 NA 0.9314
(2S,2^^S,3S,3^^R,4S)-3,4^,5,7-Tetrahydroxyflavan(2->7,4->8)-3,4^,5,7-tetrahydroxyflavan_RT2 NA 0.8223 NA 1.1777
(2S)-N-tert-Butyl-3-[4-(2-methoxyphenyl)piperazino]-2-phenylpropionamide NA 0.7748 NA 1.2252
2-Thiazolecarboxaldehyde, 4-(trifluoromethyl)- NA 0.8706 NA 1.1294
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid NA 0.8806 NA 1.1194
3,4-Dihydroxy-tamoxifen NA 1.0219 NA 0.9562
3,5-Dichloroaniline NA 0.9372 NA 1.0942
3,5-Dichlorobenzoic acid NA 0.8555 NA 1.0963
3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)_RT1 NA 0.8834 NA 1.0583
[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetic acid NA 0.9198 NA 1.0802
3,5-Di-tert-butyl-2-hydroxybenzaldehyde NA 1.0059 NA 0.9941
3-[5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid_RT2 NA 0.9479 NA 1.0521
3,7-Dihydroxy-9,11-eremophiladien-8-one NA 0.9078 NA 1.0922
3-Acetamidophenol NA NA NA 1.0000
3-Acetyl-2,5-dimethylfuran_RT1 NA 0.7535 NA 1.2465
3.alpha.,4.beta.-Galactotriose NA 1.0508 NA 0.9492
3.alpha.,6.alpha.-Mannotriose NA 0.9610 NA 1.0390
3-Amino-3-(4-fluorophenyl)propionic acid NA 0.8619 NA 1.1381
3-Aminoadipic acid NA 0.9974 NA 1.0026
3-(Aminocarbonyl)benzoic acid_RT2 NA 1.0218 NA 0.9782
3-Amino-N-(4-chlorophenyl)-3-thioxopropanamide NA 0.8983 NA 1.1017
(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one NA 1.0000 NA NA
3-b-Galactopyranosyl glucose NA 1.0284 NA 0.9716
3-Chloro-4-methylbenzenesulfonamide NA 1.4183 NA 0.7909
3-Chlorophthalic anhydride NA 1.1025 NA 0.9317
3-Cyclohexyl-1,1-dimethylurea NA 0.9848 NA 1.0152
3-Cysteinylacetaminophen NA NA NA 1.0000
3-Deoxyarabinohexonic acid_RT1 NA 1.0208 NA 0.9792
3-Ethyl-1,2-benzenediol_RT2 NA 0.9662 NA 1.0338
3-Furancarboxylic acid, tetrahydro-4-methylene-5-oxo-2-propyl-, (2R,3S)-rel- NA 0.8726 NA 1.1274
3-Galactosyllactose NA 1.0594 NA 0.9406
3-Hydroxy-2-((9Z,12Z)-octadeca-9,12-dienoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate_RT2 NA 0.7808 NA 1.2192
3^-Hydroxy-.alpha.-naphthoflavone NA 1.0041 NA 0.9959
3-hydroxyoctadecanoylcarnitine_RT4 NA 0.7910 NA 1.4180
3-Imidazo[2,1-b][1,3]thiazol-6-ylaniline NA 1.2009 NA 0.7991
3-(Methoxycarbonyl)but-3-enoic acid NA 1.0051 NA 0.9949
3-Methyl-1,2,3,4-tetrahydro-8-quinolinesulfonamide NA 0.6131 NA 1.3869
3-methyl-N-2-naphthylbutanamide NA 0.9190 NA 1.0810
3-O-(alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid NA 0.8784 NA 1.1216
3^-O-Aminopropyl-25-hydroxyvitamin D3 NA 1.2770 NA 0.9077
3-Phenylpropyl acetate_RT1 NA 1.2442 NA 0.7558
(3R,5S)-5-(Furan-3-yl)-8a^-hydroxy-7^-methyl-3^,4,5,5^,5a^,7^,8^,8a^-octahydrospiro[furan-3,6^-naphtho[1,8-bc]furan]-2,2^(4^H)-dione_RT2 NA 0.7256 NA 1.2744
(3S)-3,6-Diaminohexanoate NA 1.1858 NA 0.8142
(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one NA 0.9675 NA 1.0325
3^-Sialyllactose NA 0.9497 NA 1.0503
4-(1H-Indol-3-yl)-1,3-thiazol-2-ylamine NA 1.1523 NA 0.8477
4-[(2-Furanylmethyl)thio]-2-pentanone NA 1.0203 NA 0.9797
4-(3-Chlorophenyl)-1,3-thiazol-2-amine NA 0.9217 NA 1.0783
4-(4-Amino-3-nitrobenzyl)-2-nitrophenylamine NA 1.0000 NA NA
4-[4-(Trifluoromethoxy)phenoxy]piperidine NA 0.2170 NA 1.7830
4,5alpha-Dihydrocortisone NA 1.0000 NA NA
4,6-Dihydroxy-3-(1-hydroxyethyl)-5-methoxy-3H-2-benzofuran-1-one NA 0.9817 NA 1.0183
4,7-Dimethyl-1,3-benzothiazol-2-ylamine NA 0.9639 NA 1.0361
4-Acetyloxy-8-(3-oxo-2-pent-2-enylcyclopenten-1-yl)octanoic acid NA 0.9911 NA 1.0089
4-Amino-2-fluorobenzoic acid NA 0.9049 NA 1.0951
4-Amino-3-fluorobenzoic acid NA 0.9905 NA 1.0095
4-Bromo-3-ethoxy-5-methylisoxazole_RT1 NA 1.3121 NA 0.6879
4-Bromo-3-ethoxy-5-methylisoxazole_RT2 NA 1.0375 NA 0.9625
4-Chloro-2-(trifluoromethyl)benzyl alcohol NA 0.8747 NA 1.1253
4-Chloro-5-fluoro-2-nitrophenol NA 1.0057 NA 0.9943
4-Chlorobenzoic acid NA 1.0384 NA 0.9616
4-Ethyl-2-heptylthiazole_RT1 NA 1.0306 NA 0.9694
4-Fluoro-DL-tryptophan NA 1.0933 NA 0.9067
4-Fluorosalicylic acid NA 0.9905 NA 1.0095
4-Formyl-3-(formylmethyl)-4-hexenoic acid NA 0.8852 NA 1.1148
4^-Hydroxy-.alpha.-naphthoflavone NA 1.0101 NA 0.9899
4-Hydroxybenzaldehyde NA 1.0000 NA NA
4^-Methyl-3,4,5-trimethoxychalcone_RT2 NA 0.7368 NA 1.2632
4-Methylnonanoic acid NA 0.9665 NA 1.0335
4-Nitro-1H-pyrazole-3,5-dicarboxylic acid_RT1 NA 0.9490 NA 1.1020
4-Nitro-1H-pyrazole-3,5-dicarboxylic acid_RT2 NA 0.9298 NA 1.0702
4-O-.beta.-Galactopyranosyl-D-mannopyranose NA 1.0224 NA 0.9776
4Z-Hepten-2R-ol NA 0.9652 NA 1.0348
5^-(3^-Methoxy-4^-hydroxyphenyl)-gamma-valerolactone_RT2 NA 0.8833 NA 1.1167
5-(4-Carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid NA 0.9759 NA 1.0241
5-(4-Chlorophenyl)-2-furaldehyde_RT1 NA 0.9386 NA 1.0920
5-(4-Chlorophenyl)-2-furaldehyde_RT2 NA 0.9756 NA 1.0244
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one NA 0.8084 NA 1.1277
5-(Allylamino)-1,3,4-thiadiazole-2(3H)-thione NA 0.9753 NA 1.0247
5-Amino-2,4-dichlorophenol NA 1.0012 NA 0.9988
5-Amino-2-oxopentanoic acid NA 0.9517 NA 1.0483
5-Chloro-2-hydroxy-3-nitrobenzoic acid NA 1.0525 NA 0.9475
5-Chloro-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid NA 0.9780 NA 1.0220
(5E)-4-[(E)-3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2-methyl-5-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylidene]cyclopentene-1-carboxylic acid NA 1.0054 NA 0.9946
5-[(E)-But-1-enyl]-4-methoxy-6-methylpyran-2-one NA 0.8863 NA 1.1137
5-Fluorouridine monophosphate NA 0.7740 NA 1.1507
5^-(Furan-3-yl)-4a-hydroxy-4,7-dimethylspiro[5,6,7,8a-tetrahydro-1H-naphthalene-8,3^-oxolane]-2,2^-dione_RT1 NA 1.1471 NA 0.8529
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid NA 0.9745 NA 1.0255
5-Hydroxymethyl-2-furaldehyde_RT1 NA 0.9800 NA 1.0200
5-Methyl-4-(phenoxymethyl)-3-isoxazolecarboxylic acid NA 1.3509 NA 0.6491
5^-Methylthioadenosine_RT1 NA 1.4245 NA 0.5755
5^-Methylthioadenosine_RT2 NA 0.8886 NA 1.1114
5-Nitro-2-(2-pyridinyl)-1H-benzimidazole NA 0.9676 NA 1.0324
5^-phosphoribosyl-a-N-formylglycineamidine NA 0.9764 NA 1.0236
5-trans Latanoprost NA 0.9857 NA 1.0143
6,8-Dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one NA 0.9337 NA 1.0663
6-(alpha-D-Glucosaminyl)-1D-myo-inositol NA 1.0197 NA 0.9803
6-Aminohexanamide_RT1 NA 1.0000 NA NA
6-Aminohexanamide_RT2 NA NA NA 1.0000
6-Aminohexanamide_RT3 NA 1.1081 NA 0.9460
6-Aminosaccharin NA 0.8721 NA 1.1279
[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid NA 0.8387 NA 1.3226
6-Hydroxychlorzoxazone NA 0.9615 NA 1.0385
6-Hydroxypentadecanedioic acid_RT1 NA 1.0000 NA NA
6-Hydroxypentadecanedioic acid_RT2 NA 1.5768 NA 0.4232
6-Hydroxypentadecanedioic acid_RT3 NA 0.6337 NA 1.1831
6-Hydroxypentadecanedioic acid_RT5 NA 1.2262 NA 0.7738
6-Hydroxywarfarin NA 1.0700 NA 0.9300
6-Keto-decanoylcarnitine NA 1.6761 NA 0.3239
6-keto PGE1 NA 0.9891 NA 1.0109
6-Methoxyguanine NA 1.0056 NA 0.9944
6-Methyl-3,10-dimethylidene-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,9-epoxycyclodeca[b]furan-4-yl 2-methylprop-2-enoate_RT1 NA 0.7928 NA 1.2072
6-methyl-5-heptenoic acid NA 0.9236 NA 1.0764
6-O-b-D-Fructofuranosyl-2-deoxy-D-glucose NA 0.7379 NA 1.2621
6-Sialylgalactose NA 1.0420 NA 0.9580
6^-Sialyllactose NA 0.7847 NA 1.2153
7-(4-Methoxyphenyl)-2,4-pteridinediol NA 1.0264 NA 0.9736
7alpha,8alpha-Dihydroxycalonectrin NA 0.9144 NA 1.0856
7-(Chloromethyl)-2,3-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one NA 0.9440 NA 1.0560
7-hydroxymethotrexate NA 0.7444 NA 1.2556
7-Oxo-11-dodecenoic acid NA 1.2177 NA 0.7823
8,8-Dimethoxy-2,6-dimethyl-2-octanol NA 0.7505 NA 1.2495
8-HpODE_RT2 NA 1.5878 NA 0.4122
8-hydroxy-9,11-octadecadiynoic acid_RT2 NA 1.1598 NA 0.5207
8-iso-15-keto-PGE2 NA 0.9729 NA 1.0271
(8^R)-Neochrome NA 1.0000 NA NA
9,10-dimethoxy-13-hydroxy-11-octadecenoic acid NA 0.9322 NA 1.0678
9,12,13,TriHODE_RT2 NA 0.8889 NA 1.2221
9,12-Octadecadiynoic acid NA 0.8905 NA 1.1095
9-HpOME(7E) NA 0.9464 NA 1.0536
9-OxoODE_RT1a NA 1.0780 NA 0.9220
9-OxoODE_RT1b NA 1.0432 NA 0.9568
9-OxoODE_RT4 NA 0.9503 NA 1.0497
(9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid_RT2 NA 0.8839 NA 1.1161
(9Z,12E)-15,16-Dihydroxyoctadeca-9,12-dienoic acid_RT2 NA 0.6376 NA 1.5437
Abscisic alcohol_RT1 NA 0.9650 NA 1.0350
Acetal R NA 0.9551 NA 1.0449
Acetylcarnitine NA 1.0784 NA 0.9216
Aconitic acid NA 2.7433 NA 0.1283
Adipic acid diisononyl ester_RT1 NA NA NA 1.0000
Adipic acid diisononyl ester_RT2 NA 1.0150 NA 0.9850
Adipic acid diisononyl ester_RT3 NA 0.9753 NA 1.0494
Adipic acid diisononyl ester_RT4 NA 1.0000 NA NA
Adipic acid diisononyl ester_RT5 NA 1.0299 NA 0.9900
.alpha.-D-(+)-Talose NA 1.0053 NA 0.9947
alpha-hydroxysalmeterol NA 1.0048 NA 0.9952
AM1172 NA 0.7514 NA 1.1243
Ambonic acid NA 0.3003 NA 1.6997
AMC Arachidonoyl Amide NA 1.0703 NA 0.9297
Andrographolide NA 0.9887 NA 1.0113
Arachidonyl carnitine NA 0.4957 NA 1.5043
Armillarin NA 0.9998 NA 1.0002
Asn Ala Asp Ser Ser_RT1 NA 0.9724 NA 1.0276
Asn Gln Gln NA 0.9965 NA 1.0035
Asn Thr Gln Glu NA 0.9912 NA 1.0088
Asp Gln Ala Asp NA 1.0359 NA 0.9641
Asterosterol NA 1.0182 NA 0.9636
Auxin b_RT2 NA 0.9548 NA 1.0904
bacteriohopane-32,33,34,35-tetrol_RT3 NA 1.0000 NA NA
Barbatoflavan NA 1.0962 NA 0.8077
Bensulfuron-methyl NA 1.3790 NA 0.6210
Benzoquinoneacetic acid_RT1 NA 0.8083 NA 1.1917
BENZYLBUTYLPHTHALATE_RT1 NA 1.0000 NA NA
BENZYLBUTYLPHTHALATE_RT2 NA 1.0233 NA 0.9883
BENZYLBUTYLPHTHALATE_RT3 NA 0.9637 NA 1.0363
BENZYLBUTYLPHTHALATE_RT4 NA 1.0137 NA 0.9863
beta-D-Galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->6)-D-mannose NA 0.9997 NA 1.0003
.beta.-Gentiobiose NA 1.0221 NA 0.9779
bk-MDDMA_RT2 NA 0.9155 NA 1.0845
Boc-(R)-.alpha.-(4-bromobenzyl)proline NA 1.0384 NA 0.9616
Brassilexin NA 1.0614 NA 0.9386
Bursin NA 0.9121 NA 1.0879
Butyl (S)-3-hydroxybutyrate glucoside_RT1 NA 1.0861 NA 0.9139
Butyl (S)-3-hydroxybutyrate glucoside_RT2 NA 1.0076 NA 0.9924
Butyl (S)-3-hydroxybutyrate glucoside_RT3 NA 1.1667 NA 0.8333
Butyrylcarnitine NA 0.8857 NA 1.1143
BW 245C NA 0.8862 NA 1.1138
C14 sphingosine NA 1.8456 NA 0.4363
C16 Sphinganine NA 0.9350 NA 1.0650
C19 Sphingosine-1-phosphate NA 0.9573 NA 1.0427
Caffeine_RT1 NA 1.0555 NA 0.9445
Caffeine_RT2 NA 1.0672 NA 0.9328
Calycanthidine NA 1.7857 NA 0.2143
cannogenin NA 0.9578 NA 1.0422
Cassiastearoptene NA 1.0153 NA 0.9847
CAY10415 NA 0.9891 NA 1.0109
Chaetoglobosin N_RT1 NA NA NA 1.0000
Chaetoglobosin N_RT2 NA 0.9253 NA 1.0747
Chenodeoxyglycocholic acid_RT1 NA 1.0146 NA 0.9854
Chenodeoxyglycocholic acid_RT2 NA 0.9595 NA 1.0202
Chenodeoxyglycocholic acid_RT5 NA 0.9985 NA 1.0015
Chidamide NA 0.8637 NA 1.1363
Choline NA 1.3392 NA 0.6608
Cinnamyl alcohol_RT2 NA 0.9315 NA 1.0685
Citracridone I NA 1.1382 NA 0.8618
Citric acid NA 0.7718 NA 1.1521
Cluster of (10E,15Z)-9,12,13-Trihydroxyoctadeca-10,15-dienoic acid_RT2 NA 1.3427 NA 0.4860
Cluster of 12,13-EpOME NA 0.9055 NA 1.0945
Cluster of 13-OxoODE_RT3 NA 1.0512 NA 0.9488
Cluster of 1,4-Dibutyl benzene-1,4-dicarboxylate_RT2 NA 1.0941 NA 0.9059
Cluster of 1-Monopalmitin NA 0.7620 NA 1.2380
Cluster of (23R)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone_RT5 NA 1.4508 NA 0.5492
Cluster of 2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-[[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]-4-piperidinyl]- NA 0.5119 NA 1.4881
Cluster of 2-Hydroxybenzene-1-carbothioamide NA 0.9866 NA 1.0134
Cluster of 2-Linoleoylglycerol NA 0.7894 NA 1.2106
Cluster of 2-Thiazolecarboxaldehyde, 4-(trifluoromethyl)- NA 0.9834 NA 1.0166
Cluster of 3-[5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid_RT2 NA 0.9479 NA 1.0521
Cluster of 3.alpha.,6.alpha.-Mannotriose NA 1.0057 NA 0.9943
Cluster of 3-Hydroxy-2-((9Z,12Z)-octadeca-9,12-dienoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate_RT2 NA 0.7808 NA 1.2192
Cluster of (3R,5S)-5-(Furan-3-yl)-8a^-hydroxy-7^-methyl-3^,4,5,5^,5a^,7^,8^,8a^-octahydrospiro[furan-3,6^-naphtho[1,8-bc]furan]-2,2^(4^H)-dione_RT2 NA 0.8665 NA 1.1335
Cluster of 3^-Sialyllactose NA 1.2521 NA 0.7479
Cluster of 4-Formyl-3-(formylmethyl)-4-hexenoic acid NA 0.8708 NA 1.1292
Cluster of 4-Hydroxybenzaldehyde NA 1.0000 NA NA
Cluster of 4^-Methyl-3,4,5-trimethoxychalcone_RT2 NA 1.1072 NA 0.8928
Cluster of 5-[(E)-But-1-enyl]-4-methoxy-6-methylpyran-2-one NA 0.8863 NA 1.1137
Cluster of 6-Sialylgalactose NA 1.0420 NA 0.9580
Cluster of 9-OxoODE_RT1 NA 1.0780 NA 0.9220
Cluster of Acetylcarnitine NA 0.9272 NA 1.0728
Cluster of .alpha.-D-(+)-Talose NA 1.0221 NA 0.9779
Cluster of BENZYLBUTYLPHTHALATE_RT4 NA 0.9916 NA 1.0084
Cluster of Caffeine_RT2 NA 0.9911 NA 1.0089
Cluster of D-Glucarate NA 0.7743 NA 1.1505
Cluster of Diethyl phthalate_RT1 NA 1.9080 NA 0.0920
Cluster of Di(propylene glycol) butyl ether NA 0.9775 NA 1.0225
Cluster of DL-Phenylalanine NA 0.9201 NA 1.0799
Cluster of Docosahexaenoylglycine NA 0.9071 NA 1.0929
Cluster of Dopamine glucuronide NA 0.2509 NA 1.7491
Cluster of D-Pyroglutamic acid NA 0.9707 NA 1.0293
Cluster of D-Tryptophan NA 0.7066 NA 1.2934
Cluster of Echinulin NA 1.2310 NA 0.7690
Cluster of Erucamide_RT3 NA 0.0386 NA 1.4807
Cluster of Gln Gln Asp NA 0.7846 NA 1.2154
Cluster of Glycerol 1-myristate NA 1.0342 NA 0.9658
Cluster of Gly Thr Ser NA 1.0010 NA 0.9990
Cluster of Hexamethylcyclotrisiloxane_RT1 NA 1.8851 NA 0.4099
Cluster of Hippuric acid_RT1 NA 0.8718 NA 1.1282
Cluster of Jervine_RT1 NA 1.4861 NA 0.5139
Cluster of L-Arginine NA 0.9572 NA 1.0428
Cluster of Lys Leu Gln NA 1.0052 NA 0.9948
Cluster of Mono-2-ethylhexyl phthalate_RT1 NA 0.6488 NA 1.3512
Cluster of N-Acetylneuraminic acid, 2,3-dehydro-2-deoxy-_RT2 NA 1.1537 NA 0.8463
Cluster of N-Acetylneuraminic acid_RT1 NA 1.0616 NA 0.9384
Cluster of N-Acetylputrescine_RT1 NA 1.8977 NA 0.1023
Cluster of Netilmicin NA 0.9958 NA 1.0042
Cluster of Pantoprazole NA 1.2158 NA 0.7842
Cluster of PC(18:2(2E,4E)/0:0)_RT1 NA 0.9835 NA 1.0165
Cluster of PC(2:0/18:1(9Z)) NA 0.9849 NA 1.0151
Cluster of Pentaethylene glycol NA 1.0047 NA 0.9953
Cluster of Phosphocholine NA 0.8614 NA 1.1386
Cluster of PyroGlu-Lys-Lys NA 0.9486 NA 1.0514
Cluster of (R)-4-Dehydropantoate_RT1 NA 0.9859 NA 1.0212
Cluster of Roxindole NA 1.0638 NA 0.9362
Cluster of Scytonemin NA 0.9731 NA 1.0269
Cluster of Ser Val Asn Glu NA 0.9986 NA 1.0014
Cluster of Simvastatin 4^-methyl ether NA 1.0539 NA 0.9461
Cluster of Triethyl phosphate NA 0.9627 NA 1.0373
Cluster of Tris(1-chloro-2-propyl) phosphate_RT1 NA 1.2124 NA 0.7876
Cluster of Tris(2-butoxyethyl) phosphate NA 0.8496 NA 1.1504
Cluster of Trp Asn Ile NA 0.9863 NA 1.0137
Cluster of Uric acid NA 1.0432 NA 0.9568
Codisterol NA 1.9948 NA 0.0052
Corossolone_RT2 NA 1.0000 NA NA
Creatine NA 1.0476 NA 0.9524
Creatinine NA 1.1353 NA 0.8647
Cystamine NA 0.9922 NA 1.0078
Cytidine 2^-phosphate NA 1.2314 NA 0.8457
D17, 6-keto PGF1a NA 0.9907 NA 1.0093
Debrisoquin_RT1 NA 0.8426 NA 1.1574
Debrisoquin_RT2 NA 0.9793 NA 1.0207
Decamethylcyclopentasiloxane NA 0.9372 NA 1.0628
Dehydroascorbic acid NA 0.7673 NA 1.1551
Dehydroisocoproporphyrinogen NA 1.2759 NA 0.7241
Dehydroxyzyleuton NA 0.9815 NA 1.0185
D-erythro-Sphingosine C-15 NA 1.7163 NA 0.2837
Desmethyl frovatriptan NA 0.9493 NA 1.0338
DG(14:0/0:0/18:3n6)_RT2 NA NA NA 1.0000
DG(18:3(6Z,9Z,12Z)/17:2(9Z,12Z)/0:0)[iso2] NA 0.9891 NA 1.0109
D-Galactose NA 1.0053 NA 0.9947
D-Glucarate NA 0.7723 NA 1.1518
Di(2,6-dimethyl-4-heptyl) phthalate_RT3 NA 1.0258 NA 0.9742
Di(2-nonyl) phthalate_RT1 NA 1.0000 NA NA
Di(2-nonyl) phthalate_RT2 NA NA NA 1.0000
Di(2-nonyl) phthalate_RT4 NA 0.9511 NA 1.0489
Di(2-nonyl) phthalate_RT5 NA 1.0136 NA 0.9864
Dianthoside_RT1 NA 0.9808 NA 1.0192
Dianthoside_RT2 NA 1.2051 NA 0.7949
Dibutyl adipate_RT1 NA NA NA 1.0000
Dibutyl adipate_RT2 NA 0.9867 NA 1.0265
Dibutyl adipate_RT3 NA 1.0238 NA 0.9762
Dibutyl adipate_RT4 NA 1.0000 NA NA
Dibutyl adipate_RT5 NA 1.0402 NA 0.9598
Dibutyl disulfide_RT1 NA 0.9555 NA 1.0445
Dibutyl disulfide_RT2 NA 0.9583 NA 1.0417
Dichlorophen NA 0.9152 NA 1.0848
Diepomuricanin A_RT1 NA 1.0000 NA NA
Diethyl phthalate_RT1 NA 1.9080 NA 0.0920
Diethyl phthalate_RT2 NA 1.0157 NA 0.9843
Diethyltoluamide NA 0.9584 NA 1.0416
Digoxigenin monodigitoxoside NA 0.9800 NA 1.0200
Dihydro-3-(1-octenyl)-2,5-furandione NA 0.5900 NA 1.4100
Diketogulonic acid NA 2.7257 NA 0.1371
Dimethipin NA 0.9760 NA 1.0240
Dimethomorph NA 0.9367 NA 1.0633
Dimethyl D-malate NA 1.0115 NA 0.9885
Dimethyl fumarate NA 0.9906 NA 1.0094
Dimethyl succinate_RT3 NA NA NA 1.0000
Dimethyl succinate_RT4 NA 1.0494 NA 0.9506
Di-n-octyl phthalate_RT1 NA 1.0016 NA 0.9984
Di-n-octyl phthalate_RT2 NA 1.0086 NA 0.9871
Di-n-octyl phthalate_RT3 NA NA NA 1.0000
Di(propylene glycol) butyl ether NA 0.9795 NA 1.0205
Di(propylene glycol) tert-butyl ether NA 0.9802 NA 1.0198
DL-10-hydroxy stearic acid_RT1 NA 1.0939 NA 0.9061
DL-Arginine NA 0.9825 NA 1.0175
D-Leucine_RT4 NA NA NA 1.0000
DL-Phenylalanine NA 0.9201 NA 1.0799
D-Mannose NA 1.0138 NA 0.9862
DMAPP (ammonium salt) NA 0.7224 NA 1.2776
Docosahexaenoylglycine NA 0.9308 NA 1.0692
dodecanamide NA 0.9566 NA 1.0434
Dolichyl diphosphate_RT2 NA 0.8472 NA 1.1019
Dopamine glucuronide NA 0.9668 NA 1.0332
D-Pyroglutamic acid NA 0.9699 NA 1.0301
D-Sorbose NA 1.0089 NA 0.9911
D-Tryptophan NA 0.7066 NA 1.2934
(E)-1-Propenyl 1-(propylthio)propyl disulfide_RT1 NA 1.0000 NA NA
[(E)-3-Acetyloxy-6,7-dihydroxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-4-en-2-yl] acetate NA 0.8938 NA 1.1062
Echinulin NA 1.2310 NA 0.7690
Eicosanoyl-EA_RT3 NA 0.0386 NA 1.4807
Elaidamide NA 0.7774 NA 1.2226
Elaidic carnitine_RT1 NA 0.5342 NA 1.2329
Elaidic carnitine_RT3 NA 1.0609 NA 0.9696
Emedastine NA 1.4660 NA 0.5340
Emmotin A_RT2 NA 1.5678 NA 0.4322
ergosteryl oleate NA 1.2845 NA 0.8578
Erlose NA 1.0434 NA 0.9566
Erucamide_RT1 NA 0.9252 NA 1.0748
Erucamide_RT2 NA 1.0000 NA NA
Erucamide_RT3 NA 0.0166 NA 1.4917
Erucamide_RT4 NA 1.0294 NA 0.9412
Estradiol NA 0.9289 NA 1.0711
Ethyl 2,4-dihydroxy-3-quinolinecarboxylate NA 1.0129 NA 0.9871
Ethyl 2-(allylamino)-4-methyl-1,3-thiazole-5-carboxylate NA 1.9110 NA 0.0890
Ethyl 2-aminobenzoate NA 0.9711 NA 1.0289
Ethyl 3-isothiocyanato-1H-indole-2-carboxylate NA 2.3744 NA 0.0837
Ethyl 5-(naphthalen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate NA 1.2168 NA 0.7832
Ethyl cellulose NA 0.9980 NA 1.0020
Ethylene brassylate NA 0.9583 NA 1.0417
Ethyl salicylate NA 0.8717 NA 1.1283
Euphol NA 1.0000 NA NA
Faradiol laurate NA 0.3095 NA 1.4604
Farnesylcysteine NA 1.0000 NA NA
Felodipine NA 1.2114 NA 0.7886
FENBUTYRAMIDE NA 0.9190 NA 1.0810
Fucosyllactose NA 0.9155 NA 1.0845
Furaneol 4-glucoside_RT1 NA 0.6261 NA 1.2493
Galactinol NA 1.0224 NA 0.9776
Galacto-N-biose NA 0.9375 NA 1.0625
Galactosamine NA 1.0208 NA 0.9792
gamma-Glutamyl-beta-aminopropiononitrile NA 0.9669 NA 1.0331
Garcinoic acid_RT2 NA 1.4661 NA 0.5339
Gentamicin_RT1 NA 0.9908 NA 1.0092
Gentamicin_RT2 NA 0.8926 NA 1.1074
Gentianose NA 0.9546 NA 1.0454
Gln Asn NA 0.8612 NA 1.1388
Gln Gln Asn NA 1.0000 NA NA
Gln Gln Asp NA 0.7846 NA 1.2154
Gln Lys Lys NA 0.0041 NA 1.3320
Gln Val Trp NA 1.0817 NA 0.9183
Glu Asn Gln NA 0.7401 NA 1.2599
Glu Asp Thr Glu_RT1 NA 0.9704 NA 1.0296
GLUCITOL-4-GUCOPYANOSIDE NA 0.6787 NA 1.3213
Glucosamine NA 1.0087 NA 0.9913
Glucosylisomaltol_RT1 NA 0.9852 NA 1.0148
Glutamyl-Tyrosine_RT1 NA 1.0145 NA 0.9855
Glutamyl-Tyrosine_RT2 NA 0.9293 NA 1.0707
Glycerol 1-myristate NA 1.0342 NA 0.9658
Glycerol tripropanoate_RT1 NA 1.0483 NA 0.9517
Glycerol tripropanoate_RT2 NA 0.9107 NA 1.0446
Glycerol tripropanoate_RT3 NA 1.0000 NA NA
Glycerol tripropanoate_RT4 NA 1.1322 NA 0.8678
Glycerophosphocholine NA 0.9910 NA 1.0090
Glycodeoxycholic acid NA 1.0628 NA 0.9372
Gly Glu Gly Thr Glu_RT1 NA 0.9933 NA 1.0067
Gly-Gly-Gly-Gly-Gly-Gly NA 0.9386 NA 1.0614
Gly Ser Thr NA 1.3337 NA 0.6663
Gly Thr Ser NA 1.5158 NA 0.4842
Hallacridone NA 0.9308 NA 1.0692
Hexacosanedioic acid_RT1 NA 1.0000 NA NA
Hexacosanedioic acid_RT2 NA 1.0429 NA 0.9714
Hexacosanedioic acid_RT3 NA NA NA 1.0000
Hexacosanedioic acid_RT4 NA 1.0267 NA 0.9600
Hexaethylene glycol NA 1.0415 NA 0.9585
Hexamethylcyclotrisiloxane_RT1 NA 1.8851 NA 0.4099
Hexamethylcyclotrisiloxane_RT2 NA 0.9489 NA 1.0255
Hexamethylcyclotrisiloxane_RT3 NA 1.0241 NA 0.9759
Hexamethylcyclotrisiloxane_RT4 NA 0.9918 NA 1.0082
Hexanoylcarnitine NA 1.1150 NA 0.8850
Hexapropylene glycol NA 0.9605 NA 1.0395
Hexapropylene glycol monobutyl ether NA 0.7334 NA 1.2666
Hippuric acid_RT1 NA 0.8718 NA 1.1282
Hippuric acid_RT2 NA 1.0000 NA NA
Hydroquinine NA 1.4303 NA 0.5697
Hydroxypropionylcarnitine NA 1.2473 NA 0.7527
Ibopamine NA 1.3318 NA 0.6682
Ile-His-Lys NA 0.9901 NA 1.0099
Ile-Ser-OH NA NA NA 1.0000
Indolelactic acid NA 0.6991 NA 1.3009
Isoglobotriaose (iGb3) NA 0.9509 NA 1.0491
Isomyristic acid NA 0.7561 NA 1.2439
Isosorbide Mononitrate NA 2.6199 NA 0.1900
Isovalerylcarnitine NA 1.4401 NA 0.1198
Jervine_RT1 NA 1.7117 NA 0.2883
Jervine_RT2 NA 1.4508 NA 0.5492
Junipediol A 8-glucoside NA 1.0106 NA 0.9894
Kynurenic acid NA 1.2565 NA 0.6153
Lactapiperanol C NA 1.4036 NA 0.5964
Lactose NA 1.0224 NA 0.9776
Lactose 6-phosphate NA 1.5019 NA 0.6654
Lagodeoxycholic_RT3 NA 1.0000 NA NA
L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid NA 0.9403 NA 1.0597
Laminaritetraose NA 1.0926 NA 0.9074
Lamioside NA 1.2154 NA 0.7846
L-Arginine NA 0.9572 NA 1.0428
L-Carnitine NA 0.9063 NA 1.0937
L-Cystine NA 1.1556 NA 0.8444
Lenticin NA 1.1613 NA 0.6774
Levocabastine_RT1 NA 0.8225 NA 1.1775
Levoglucosan NA 1.0051 NA 0.9949
Lewis A trisaccharide_RT1 NA 0.8826 NA 1.1174
Lewis A trisaccharide_RT2 NA 0.9000 NA 1.0667
L-Fuculose_RT2 NA 1.0000 NA NA
L-Glutamine_RT1 NA 1.1142 NA 0.8858
L-Glutamine_RT2 NA 1.3727 NA 0.6273
L-Histidinol NA 0.9657 NA 1.0343
L-Homoserine NA 0.7922 NA 1.2078
Lipoxin A5 NA 0.9623 NA 1.0377
L-Proline NA 0.8579 NA 1.1421
L-Propionylcarnitine_RT1 NA 1.6728 NA 0.3272
L-Propionylcarnitine_RT2 NA 2.8546 NA 0.0727
L-Tyrosine NA 0.7883 NA 1.2117
L-Valine, N-[(1-pentyl-1H-indol-3-yl)carbonyl]-, methyl ester NA 1.6996 NA 0.3004
L-Valine_RT2 NA 1.0999 NA 0.9001
Lys-Asn-Lys NA 0.8737 NA 1.1263
Lys Gln Lys NA 2.0557 NA 0.6481
Lys Leu Gln NA 1.0052 NA 0.9948
Lys-Lys-Lys NA 0.9745 NA 1.0255
Lys Lys Thr NA 0.8539 NA 1.1461
LysoPC(16:0)_RT1 NA 0.6554 NA 1.3446
LysoPC(16:0)_RT2 NA 0.8987 NA 1.1013
LysoPC(16:1(9Z)) NA 0.9926 NA 1.0074
LysoPC(18:0) NA 1.0726 NA 0.9274
LysoPE(0:0/20:4(8Z,11Z,14Z,17Z)) NA 1.0665 NA 0.9335
Lys-Trp-Lys NA 0.7767 NA 1.2233
Maleic acid homopolymer_RT2 NA 0.9745 NA 1.0170
maltotetraose NA 0.9976 NA 1.0024
Maltotriose NA 1.0117 NA 0.9883
Mayolene-17_RT2 NA 1.0000 NA NA
Mefloquine NA 1.0432 NA 0.9568
Methomyl NA 1.1304 NA 0.8696
Methyl 2-chloro-4-pyridinecarboxylate NA 1.0036 NA 0.9964
Methyl 2-propenyl tetrasulfide NA 0.9139 NA 1.0861
Methyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate_RT1 NA 0.8312 NA 1.1688
Methyl [3-(trifluoromethyl)anilino]acetate NA 1.0961 NA 0.9039
Methyl 4-chloro-1H-indole-3-acetate NA 0.9814 NA 1.0186
Methyl 4-methoxybenzoate NA 0.8857 NA 1.1143
Methyl 4-oxo-2-pentenoate_RT1 NA 1.0156 NA 0.9767
Methyl aminolevulinate_RT2 NA 1.0302 NA 0.9698
Methylisoeugenol NA 0.9327 NA 1.0673
m-Fluorobutyrylfentanyl NA 0.8473 NA 1.1527
MG(18:1(11E)/0:0/0:0)[rac] NA 0.5622 NA 1.4378
Mono-2-ethylhexyl phthalate_RT1 NA 0.6488 NA 1.3512
Mono-2-ethylhexyl phthalate_RT2 NA 1.0955 NA 0.9045
Monolaurin NA 1.1835 NA 0.8165
Mucic acid NA 1.9279 NA 0.0721
Mukonine_RT1 NA 1.0000 NA NA
Muricatacin NA 1.0392 NA 0.9608
Muricin H_RT1 NA 1.0000 NA NA
Myristoyl-EA NA 2.7331 NA 0.1335
Myristoyl-L-carnitine NA 0.5190 NA 1.7216
N-(1,3-Dioxolan-2-ylmethoxy)benzimidoyl cyanide NA 1.3540 NA 0.6460
N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indole-3-carboxamide NA 1.5675 NA 0.4325
N-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(p-tolyl)methanesulfonamide NA 0.7835 NA 1.2165
N-(1-Naphthyl)ethylenediamine NA 1.0516 NA 0.9484
N-(2-Chlorophenyl)-1,3-thiazol-2-amine NA 0.8914 NA 1.1086
(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine_RT1 NA 0.9939 NA 1.0182
(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine_RT2 NA 1.0236 NA 0.9764
(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine_RT3 NA 0.9928 NA 1.0072
(+/-)N-(2-fluro-ethyl)-2,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine_RT2 NA 1.2627 NA 0.7373
(+/-)N-(2-fluro-ethyl)-2,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine_RT3 NA 1.0000 NA NA
(+/-)N-(2-fluro-ethyl)-2,17,17-trimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine NA 0.6586 NA 1.3414
(+/-)N-(2-fluro-ethyl)-2,17-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine_RT1 NA 0.9967 NA 1.0033
(+/-)N-(2-fluro-ethyl)-2,17-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine_RT4 NA 1.0344 NA 0.9771
N-((2-Hydroxy-3-oxo-2-(pent-2-en-1-yl)cyclopentyl)acetyl)isoleucine NA 0.7897 NA 1.2103
N-(2-Hydroxyethyl)-morpholine_RT5 NA 1.0078 NA 0.9884
N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide NA 0.9594 NA 1.0406
N-(4-Piperidinyl)cyclohexanecarboxamide NA 0.9592 NA 1.0408
N-{5-[(2-Amino-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-yl}-N-methylamine NA 0.9747 NA 1.0253
(-)-N6-(2-Phenylisopropyl)adenosine NA 1.0993 NA 0.9007
N(8)-Acetylspermidinium_RT2 NA 0.9816 NA 1.0122
N-Acetyl-9-O-lactoylneuraminic acid NA 1.1566 NA 0.8434
N-Acetyl gemifloxacin NA 0.9890 NA 1.0110
N-Acetylneuraminate 9-phosphate NA 0.8537 NA 1.0975
N-Acetylneuraminic acid, 2,3-dehydro-2-deoxy-_RT2 NA 1.1537 NA 0.8463
N-Acetylneuraminic acid_RT1 NA 1.0616 NA 0.9384
N-Acetylputrescine_RT1 NA 1.8977 NA 0.1023
N-Butyl-1H-1,3-benzodiazol-2-amine_RT1 NA 0.9303 NA 1.0697
N-Butyl-1H-1,3-benzodiazol-2-amine_RT2 NA 0.9396 NA 1.0604
N-Desmethyldanofloxacin NA 0.3830 NA 1.6170
N-Desmethyltamoxifen NA 0.8866 NA 1.1134
N-(Ethoxymethanethioyl)benzamide NA 1.8863 NA 0.1137
Netilmicin NA 0.9958 NA 1.0042
N-Hexadecanoylpyrrolidine NA 0.7332 NA 1.2668
Niacinamide NA 1.2941 NA 0.7059
Nicotinamide ribotide NA 0.6210 NA 1.3790
N-Isobutyl-3-methylbutanamide NA 1.0309 NA 0.9691
N-Methyl-a-aminoisobutyric acid_RT1 NA 1.0000 NA NA
N-Methylglycine N,N-dimethylamide NA 0.9294 NA 1.0706
N-methyl hexanamide NA 0.9448 NA 1.0552
N-Methyl-N-(2-{2-[2-(methylamino)ethoxy]ethoxy}ethyl)amine NA 0.8552 NA 1.1448
N-Methylporphyroxine NA 1.0000 NA NA
N,N-Diethyltryptamine NA 0.9536 NA 1.0464
N,N-Dimethyldodecylamine N-oxide NA 1.3828 NA 0.8086
N-Nitroso-N-methyl-3-aminopropionic acid, methyl ester_RT1 NA 1.1029 NA 0.8971
Nordentatin_RT1 NA 1.1221 NA 0.8779
Nordentatin_RT3 NA 0.9916 NA 1.0084
norpropoxyphene NA 0.9378 NA 1.0622
N-Oxyclozapine NA 0.8462 NA 1.1538
N-Succinyl-L,L-2,6-diaminopimelate_RT1 NA 1.0173 NA 0.9740
N-Succinyl-L,L-2,6-diaminopimelate_RT2 NA 0.5734 NA 1.2133
N-(tetradecanoyl)-deoxysphing-4-enine-1-sulfonate NA 0.2722 NA 1.3639
O-Desmethylvenlafaxine NA 0.9643 NA 1.0238
Oleic acid (d5) NA 1.1782 NA 0.8218
Oleyl alcohol NA 1.9975 NA 0.0025
Olmesartan NA 1.0092 NA 0.9908
Olsalazine NA 0.9590 NA 1.0410
Ornithine NA 0.8635 NA 1.1365
Osmundalin_RT2 NA 0.7287 NA 1.1809
Oxybenzone NA 0.9382 NA 1.0618
Oxybutynin NA 0.8766 NA 1.1234
Palmitoyl-EA NA 1.0000 NA NA
Palmitoylserotonin NA 0.8804 NA 1.1196
Panaxatriol NA 1.5753 NA 0.4247
Panose NA 1.0082 NA 0.9918
Pantoprazole NA 1.1628 NA 0.8372
Pantothenic Acid NA 1.2460 NA 0.7540
PA(O-16:0/O-16:0) NA 1.0000 NA NA
PA(O-20:0/13:0)_RT1 NA 1.0000 NA NA
Paramethasone NA 1.1184 NA 0.8816
Paraxanthine NA 0.5822 NA 1.8356
Parecoxib NA 0.9890 NA 1.0110
PC(0:0/18:1(9Z)) NA 0.9747 NA 1.0253
PC(13:0/0:0)_RT2 NA 0.7616 NA 1.2384
PC(16:0/2:0) NA 0.7568 NA 1.2432
PC(16:0/4:0) NA 0.9271 NA 1.0729
PC(18:2(2E,4E)/0:0)_RT1 NA 0.9835 NA 1.0165
PC(2:0/16:0)_RT1 NA 0.9868 NA 1.0132
PC(2:0/18:1(9Z)) NA 0.9849 NA 1.0151
PC(4:0/18:1(9Z)) NA 0.9383 NA 1.0617
PC(7:0/O-8:0)_RT1 NA 1.3250 NA 0.6750
PC(O-10:1(9E)/2:0) NA 0.6670 NA 1.3330
PC(O-6:0/O-6:0)_RT1 NA 1.0914 NA 0.9086
PE(16:0/0:0)_RT1 NA 0.4584 NA 1.3611
PE(18:0/0:0) NA 1.5118 NA 0.4882
PE(18:1(9Z)/0:0)_RT1 NA 0.8529 NA 1.1471
PE(18:1(9Z)/0:0)_RT2 NA 1.3302 NA 0.6698
PE(18:2(9Z,12Z)/0:0)_RT1 NA 0.9310 NA 1.0690
PE(18:2(9Z,12Z)/0:0)_RT2 NA 0.9736 NA 1.0264
Pentaethylene glycol NA 1.0039 NA 0.9961
Pentapropylene glycol NA 0.9505 NA 1.0495
PE(P-16:0/0:0) NA 1.2868 NA 0.5698
PG(22:2(13Z,16Z)/0:0) NA 0.9925 NA 1.0075
PGD3 NA 0.9703 NA 1.0297
PGF2alpha dimethyl amide NA 0.9732 NA 1.0268
PGG2 NA 0.9898 NA 1.0102
Phenanthro[3,2-b]furan-9(1H)-one, 2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydro-6,10a-dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl- NA 0.9708 NA 1.0292
Phenylalanyl-Glycine NA 0.7132 NA 1.2868
Phe-Thr-Lys NA 0.7872 NA 1.2128
Phosphocholine NA 0.8617 NA 1.1383
Phytyl diphosphate NA 0.9681 NA 1.0319
Pipercitine NA 1.0000 NA NA
Piperolein B NA 1.0453 NA 0.9547
Pranoprofen_RT3 NA 0.9238 NA 1.0762
Pregabalin NA 1.1136 NA 0.8864
Pregnanetriol NA 0.8266 NA 1.1734
Pro Lys Lys NA 0.9988 NA 1.0012
Pro Phe Met Thr Gly NA 0.5615 NA 1.2924
Prostaglandin E2 ethanolamide NA 1.7155 NA 0.2845
PS(22:0/0:0) NA 0.9778 NA 1.0222
PyroGlu-Lys-Lys NA 0.9371 NA 1.0629
PyroGlu-Phe-Lys NA 0.9810 NA 1.0190
Pyroglutamic acid NA 0.9719 NA 1.0281
(R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one NA 1.0168 NA 0.9832
(R)-4-Dehydropantoate_RT1 NA 0.9859 NA 1.0212
Rolliacocin NA NA NA 1.0000
Roxindole NA 1.0638 NA 0.9362
Scytonemin NA 0.9731 NA 1.0269
Sedanolide NA 1.0297 NA 0.9703
Ser Asp Arg Asp_RT1 NA 1.4259 NA 0.5741
Ser Asp Arg Asp_RT2 NA 0.7386 NA 1.2614
Ser Thr Asn Glu NA 1.0373 NA 0.9627
Sertraline NA 1.0000 NA NA
Ser Val Asn Glu NA 0.9986 NA 1.0014
(+)-Setoclavine NA 1.0440 NA 0.9560
S-Farnesyl Thioacetic Acid NA 0.8020 NA 1.1980
Simvastatin 4^-methyl ether NA 0.9565 NA 1.0435
sn-glycero-3-Phosphoethanolamine NA 1.0428 NA 0.9572
Sorbitan oleate_RT1 NA 1.2928 NA 0.8536
Sorbitan oleate_RT2 NA NA NA 1.0000
Sphingosine 1-phosphate NA 1.0000 NA NA
Spiculisporic acid NA 0.9872 NA 1.0128
S-Propyl 1-propanesulfinothioate_RT1 NA 0.9873 NA 1.0127
S-Propyl 1-propanesulfinothioate_RT2 NA 1.0058 NA 0.9942
S-Propyl 1-propanesulfinothioate_RT3 NA 1.0278 NA 0.9722
S-Propyl 1-propanesulfinothioate_RT4 NA 0.9481 NA 1.0519
Starch acetate_RT1 NA 0.9414 NA 1.0586
Starch acetate_RT2 NA 1.0915 NA 0.9085
Succinyladenosine NA 1.0134 NA 0.9866
Sucrose NA 1.0221 NA 0.9779
SULFAMETER NA 1.3527 NA 0.6473
SULFAMONOMETHOXINE NA 1.2569 NA 0.7431
Sulforhodamine B NA 1.0000 NA NA
Taurine NA 0.9084 NA 1.0916
Tepraloxydim NA 0.8590 NA 1.1410
Tetramethyl 7,9-dimethyl-9aH-quinolizine-1,2,3,4-tetracarboxylate NA 0.8687 NA 1.1313
Teucrin A_RT1 NA 0.9267 NA 1.0733
Theobromine NA 2.0436 NA 0.3043
Thioguanine NA 1.1231 NA 0.8769
Thr-Ala-OH NA 0.2509 NA 1.7491
Thr Asn Ala Asp NA 1.0016 NA 0.9984
Thr-His-OH NA 1.1885 NA 0.8115
Thr Thr Trp NA 1.0000 NA NA
trans-Cinnamoylcocaine_RT2 NA 0.9876 NA 1.0124
Tranylcypromine_RT1 NA 0.8939 NA 1.1061
Triazophos NA 0.9715 NA 1.0285
Tributyl phosphate NA 0.9383 NA 1.0617
Tridihexethyl NA 0.9903 NA 1.0097
Tridodecylamine NA 1.3708 NA 0.6292
Triethyl phosphate NA 0.9648 NA 1.0352
Tri(propylene glycol) butyl ether NA 0.9397 NA 1.0603
Tris(1-chloro-2-propyl) phosphate_RT1 NA 1.2124 NA 0.7876
Tris(2-butoxyethyl) phosphate NA 0.8667 NA 1.1333
Tris(2-chloropropyl) phosphate_RT1 NA 1.1276 NA 0.8724
Tris(2-chloropropyl) phosphate_RT2 NA 1.1513 NA 0.8487
Trp Ala Asp NA 0.9471 NA 1.0529
Trp Asn Ile NA 0.9808 NA 1.0192
Trp Lys Lys NA 0.8814 NA 1.1186
Turanose NA 1.0221 NA 0.9779
Uric acid NA 1.0099 NA 0.9901
Vaccenic acid_RT2 NA 0.9692 NA 1.0308
Veratramine_RT1 NA 1.0445 NA 0.9555
Veratramine_RT2 NA 0.9911 NA 1.0089
Vibsanin B NA 0.8496 NA 1.1504
Violet-leaf aldehyde NA 1.3909 NA 0.7394
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Vitamin D Status:High | Sample source:Infant Stool
F2Vitamin D Status:High | Sample source:Maternal Breast Milk
F3Vitamin D Status:Low | Sample source:Infant Stool
F4Vitamin D Status:Low | Sample source:Maternal Breast Milk
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