Data for (Study ST004350)

(Analysis AN007261)

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

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

MetaboliteF1F2F3
10E,12Z-Octadecadienoic acid 0.9516 1.0611 0.9873
10-Formyldihydrofolate 0.9952 0.8911 1.1138
(10)-Gingerol 1.0278 1.2283 0.7439
1,1^-[1,12-Dodecanediylbis(oxy)]bisbenzene 0.9871 1.0509 0.9620
1,1,6-Trimethyltetralin 1.2466 0.9319 0.8216
11-Oxahexadecanolide 0.9542 1.0585 0.9873
1-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine 0.9824 1.1011 0.9164
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 0.5321 1.4488 1.0191
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 1.3214 1.0259 0.6527
1-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 0.7880 1.2379 0.9742
1-(1Z-octadecenyl)-sn-glycero-3-phosphocholine 1.0256 1.1180 0.8564
1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid 0.7175 0.6370 1.6454
1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine 0.9656 1.0547 0.9797
1,2-Didecanoyl-sn-glycero-3-phosphocholine 0.6547 1.0532 1.2921
1,2-Dierucoyl-sn-glycero-3-phosphocholine 0.5641 1.6853 0.7506
1,2-Dihydronaphthalene-1,2-diol 0.4622 0.7615 1.7763
1,2-Dilinoleoyl-SN-glycero-3-phosphocholine 0.4532 1.1763 1.3705
1,2-Dimethylimidazole 0.9516 1.0856 0.9628
1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine 0.8665 1.2960 0.8375
1,2-Dimyristoyl-sn-glycero-3-phosphocholine 0.8305 1.1731 0.9965
1,2-Dimyristoyl-sn-glycero-3-phospho-l-serine 0.8331 1.1952 0.9717
1,2-Dipentadecanoyl-sn-glycero-3-phosphocholine 0.6047 1.6274 0.7679
1,2-Docosahexanoyl-sn-glycero-3-phosphocholine 0.7501 1.1024 1.1475
1,2-Ethanedithiol 0.8692 1.1372 0.9936
1,2-Ethylenediphosphonic acid 1.2182 1.1505 0.6312
12-HOME 1.0624 0.8533 1.0843
12-Ketolithocholic acid 0.9863 1.0250 0.9887
12-Methyltridecanoic acid 1.1836 1.1753 0.6411
12-Tridecene-4,6,8,10-tetraynal 1.2706 0.5085 1.2210
13,14-Dihydro PGE1 1.4457 1.0702 0.4841
13,14-Dihydro PGF-1a 0.2692 1.3827 1.3481
1,3,5-Trihydroxybenzene 1.1762 1.0471 0.7768
1,3-Benzenediol 1.1381 1.0608 0.8011
1,3-Dicyclohexylurea 0.8912 0.9091 1.1997
1,3-Diisopropylbenzene 1.1359 0.9001 0.9639
13-Docosenamide 1.4264 1.3064 0.2671
14,15-Epoxyeicosa-5z-enoic acid 1.0809 1.1205 0.7986
1,4,7-Triazacyclononane 1.0132 0.7350 1.2518
1,4-Di-tert-butylbenzene 1.0254 1.0397 0.9349
1-(4-Methoxyphenyl)-4-methylpentan-3-ol 1.1303 0.8946 0.9752
1,4-Naphthoquinone 1.0138 1.0493 0.9369
1,5-Diazabicyclo[4.3.0]non-5-ene 0.9517 1.0893 0.9590
15-keto-PGF1alpha 0.8883 0.7717 1.3400
17-(4-Hydroxyphenyl)heptadecanoic acid 1.1113 0.9995 0.8892
17beta-Estradiol 3-(beta-D-glucuronide) 1.0298 1.0820 0.8882
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol 1.0153 1.1229 0.8618
1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol) 1.3400 0.7713 0.8888
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 0.7373 0.4859 1.7767
1-(9Z-tetradecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol 0.9527 1.1732 0.8741
1-Acetylisatin 1.1583 1.0261 0.8156
1-Aminocyclopropane-1-carboxylic acid 1.0193 1.0044 0.9763
1-(Ammoniomethyl)cycloheaxaneacetate 0.3541 1.2247 1.4212
1-Butanol 0.7443 1.3844 0.8713
1-Chloro-2-methylpropene 0.9957 1.0757 0.9286
1-Cyano-2-hydroxy-3-butene 0.8560 1.0343 1.1097
1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline 1.5540 0.3159 1.1301
1-Deoxynojirimycin 0.5321 1.0874 1.3805
1-Deoxyvaleric-acid 0.9140 0.9445 1.1415
1-docosanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate 0.9026 1.2177 0.8797
(1E,6R,11R,13R,14S,15S,19E,21E,23S,27R)-27-hydroxy-23-[(1S)-1-hydroxyethyl]-9,15-dimethylspiro[4,12,17,24-tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa-1,9,19,21-tetraene-14,2^-oxirane]-3,18-dione 0.8383 0.5421 1.6196
1-Heptadecanoyl-sn-glycero-3-phosphoethanolamine 0.6247 0.8818 1.4935
1-Hexacosene 0.9422 1.0734 0.9844
1-hexadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate 0.6584 1.2777 1.0639
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 0.8001 1.6493 0.5506
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine 0.5449 2.0203 0.4348
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine 0.6751 1.0775 1.2474
1-hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine 0.7944 1.0751 1.1305
1H-Imidazol-1-ylacetic acid 1.1925 0.7288 1.0788
1-hydroperoxy-8-carboxyoctyl-3,4-epoxynon-(2E)-enyl-ether 1.1772 1.0265 0.7963
1-Methylnicotinamide 1.0793 0.9432 0.9775
1-Methylpyrrolinium 0.7669 0.7339 1.4992
1-Myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine 0.6374 1.5565 0.8061
1-Myristoyl-2-stearoyl-sn-glycero-3-phosphocholine 0.8384 1.3636 0.7980
1-Naphthalenyl[4-(pentyloxy)-1-naphthalenyl]methanone 0.5952 0.6884 1.7164
1-Naphthol 1.2486 0.5416 1.2099
1-Naphthylamine 0.7930 0.6141 1.5928
1-nitrosonaphthalene 0.9684 1.0633 0.9683
1-octadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate 0.8255 1.2842 0.8903
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 0.7077 1.2830 1.0093
1-O-Hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine 0.8993 1.1124 0.9883
1-O-Hexadecyl-2-O-ethyl-SN-glycero-3-phosphorylcholine 0.6454 1.0404 1.3143
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine 1.8624 0.1530 0.9847
1-O-Hexadecyl-sn-glycero-3-phosphocholine 1.0398 0.7750 1.1852
1-Oleoyl-2-acetyl-sn-glycerol 0.7790 1.1043 1.1168
1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine 0.7181 1.3917 0.8902
1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine 0.2838 0.4265 2.2897
1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine 0.7331 0.4692 1.7977
1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine 0.8433 1.1078 1.0489
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine 1.0174 0.8731 1.1095
1-pentadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine 1.4288 0.7707 0.8004
1-Pentadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine 1.1828 0.7475 1.0697
1-Phenyl-1,3-eicosanedione 0.8891 0.9030 1.2079
1-Phenyl-2-hexanone 0.9178 1.0931 0.9891
1-Phenylethanol 0.9357 1.2408 0.8235
1-Phenylpiperazine 0.7463 0.9995 1.2542
(1R,2R,9R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane 0.9141 0.8102 1.2757
(1R,4R,5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-ene-1,4-diol 1.2053 0.9882 0.8065
1-S-hexadecyl-2-O-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine 0.6373 1.5763 0.7864
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine 0.8448 1.4544 0.7008
1-Stearoyl-2-arachidonyl-sn-glycero-3-phosphocholine 0.6403 1.1744 1.1854
1-Stearoyl-2-docosahexanoyl-sn-glycero-3-phosphocholine 0.6003 1.5767 0.8229
1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine 0.3942 1.8883 0.7174
1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine 1.0258 0.8849 1.0893
1-Tetracosanoyl-sn-glycero-3-phosphocholine 0.8012 1.2327 0.9661
20-HETE 1.0380 0.8932 1.0688
20-Hydroxyecdysone 1.1520 0.7933 1.0547
20-Hydroxy-leukotriene E4 1.4708 0.9612 0.5680
2-(14,15-Epoxyeicosatrienoyl) Glycerol 1.0836 0.7904 1.1261
21-Deoxycortisol 0.5883 0.4730 1.9387
2-(1-methyl-1H-imidazol-5-yl)acetic acid 0.0991 0.1027 2.7982
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 0.8303 0.9914 1.1782
2,2,6,6-Tetramethyl-4-piperidinone 0.9733 0.8816 1.1451
2,2-Dichloropropionic acid 1.0712 1.0658 0.8630
2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid 1.0340 1.0080 0.9581
2-(2-Methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone 0.9814 1.0197 0.9989
2-[(3,3-dimethyloxiran-2-yl)methyl]-4-(3-methylbut-2-en-1-yl)benzene-1,3,5-triol 1.0523 0.9733 0.9744
2,3,4,5-Tetrahydro-1-benzoxepin-3-one 1.3239 0.6830 0.9931
2,3,4,5-Tetrahydroxypentanoic acid 1.0395 0.8887 1.0717
[2-(3,5-Dimethoxy-4-hydroxycinnamoyloxy)ethyl]trimethylaminium 1.3381 0.6494 1.0126
2,3-Dihydrobenzofuran 0.8480 0.9923 1.1598
2,3-Dihydropyrimidin-4-amine 0.9859 0.9213 1.0928
2,3-diketo-L-gulonate 0.9555 0.9200 1.1244
2,3-Dimethylmaleic anhydride 1.0035 1.1159 0.8806
2-(3-Phenylpropyl)tetrahydrofuran 1.0405 0.7263 1.2332
2-[4-[2-[(2,4-Difluorophenyl)carbamoyl-heptylamino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid 1.0098 1.1639 0.8263
2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid 1.0260 1.1101 0.8639
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 0.9048 0.8286 1.2666
2,4,5-Trimethoxybenzaldehyde 0.7394 0.8628 1.3978
2-(4-Bromophenoxy)ethanamine 0.9582 1.1362 0.9056
2,4-Diaminobutyric acid 1.0223 1.0283 0.9495
2,4-Hexadienoic acid 0.8261 1.0623 1.1116
24(S)-hydroxycholesterol 0.9478 1.6671 0.3850
2^,5^-Dihydroxyacetophenone 0.6916 0.5362 1.7722
2,5-Dimethyl-3(2H)-furanone 0.9889 0.8622 1.1489
2(5H)-Furanone 0.6017 1.2893 1.1090
25-Hydroxyvitamin D2 0.8314 1.0101 1.1585
2,6-Dimethylpyridine 1.0419 1.0760 0.8820
2,6-di-tert-butyl-1,4-benzoquinone 0.9076 0.8851 1.2073
2,6-Di-tert-butyl-4-ethylphenol 1.1940 1.0698 0.7362
2,8-Quinolinediol 0.6706 0.6008 1.7285
[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate 0.9611 0.9350 1.1039
2-Acetyl-3-ethylpyrazine 1.0311 1.0013 0.9676
2-Acetyl-3-methylpyrazine 0.7158 0.2243 2.0599
2-Acetylfuran 0.9594 1.2268 0.8138
2-Acetylpyrazine 0.9272 0.9718 1.1010
2-Amino-1-phenylethanol 0.8677 0.9821 1.1502
2-Amino-2-methyl-1,3-propanediol 0.9560 1.2155 0.8286
2-Amino-3-cyclohexylpropan-1-ol 1.2382 0.6935 1.0683
2-Amino-5-chlorophenol 0.6280 1.4047 0.9673
2-Amino-6-methoxypurine 0.8485 1.0566 1.0949
2-Aminobenzoic acid 0.6367 0.5507 1.8126
2-Aminoindan 1.1627 1.1250 0.7123
2-Aminopropiophenone 0.6825 0.6546 1.6629
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid 0.9678 1.0968 0.9354
2-Butyne-1,4-diol 0.6265 1.2708 1.1026
2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid 0.5483 0.8518 1.6000
2^-Deoxyuridine 0.7138 0.8138 1.4723
2-(Dimethylamino)acetonitrile 1.0226 0.9681 1.0093
2-Dodecenal 1.6791 0.5879 0.7330
(2E)-3-(1H-indol-2-yl)prop-2-enoic acid 0.5319 0.6711 1.7970
(2E)-Decenoyl-ACP 0.7667 1.0230 1.2103
2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone 1.1712 0.8546 0.9743
2-Ethylhexyl diphenyl phosphate 0.9383 0.4946 1.5671
[2-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (Z)-octadec-9-enoate 0.9447 1.1454 0.9100
2H-Pyran-2-one, tetrahydro-4-hydroxy-4-methyl-, (R)- 1.1686 1.5742 0.2571
2-Hydroxy-2-methylbutyric acid 0.8118 1.1821 1.0061
2-Hydroxy-2-methylpropanal 0.6693 1.0860 1.2447
2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one 0.9477 0.6030 1.4493
[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate 0.8604 0.5002 1.6394
2-Hydroxy-3-phosphonooxybut-3-enoic acid 1.0515 1.2771 0.6714
2^-Hydroxy-4,4^,6^-trimethoxychalcone 1.0756 0.8214 1.1030
2-Hydroxycinnamic acid 0.6968 0.7331 1.5701
2-Hydroxydecanedioic acid 1.2038 1.1663 0.6298
2-Hydroxydesipramine 1.0841 1.6626 0.2533
2-Hydroxyfluorene 0.9556 1.3610 0.6834
2-Hydroxyibuprofen 1.0758 0.8758 1.0484
2-Hydroxypyridine 1.1868 0.8937 0.9195
2-Hydroxyquinoline 0.8175 1.0170 1.1655
2-Keto-6-acetamidocaproate 0.4216 0.5286 2.0498
2-Mercaptobenzothiazole 0.9389 0.8985 1.1626
2-Methoxy-5-nitroaniline 1.0267 0.9166 1.0567
2-Methoxycinnamaldehyde 1.1850 0.8158 0.9992
2-Methyl-1-pyrroline 1.6911 0.5167 0.7922
2-Methylbenzyl alcohol 1.2276 0.8680 0.9044
2-Naphthol 0.6144 1.7479 0.6377
2-(N-Morpholino)ethanesulfonic acid 1.1888 0.6505 1.1606
2-Octenoic acid, ethyl ester 0.9906 1.0633 0.9461
2-(Octylthio)ethanol 0.8346 0.6757 1.4897
2-Phenoxyethanol 0.9509 1.0732 0.9759
2-Phenylacetamide 0.6216 0.1291 2.2493
2-Phenylbutyric acid 1.0067 0.9565 1.0367
2-Phenylethanol 0.5691 1.5847 0.8462
2-Phenylglycine 0.7599 0.7688 1.4714
2-Phospho-D-Glyceric Acid 1.0181 0.5646 1.4173
2-Phytyl-1,4-naphthoquinone 0.9913 1.0163 0.9924
2-Picoline 1.1939 1.1212 0.6850
2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide 1.1570 1.0041 0.8390
2-Propylthiophene 1.0105 0.9814 1.0082
2-Pyrrolidinone 0.8114 0.9696 1.2190
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 22-methyltetracosanoate 1.0210 1.0512 0.9278
(2r)-3-(Hexadecyloxy)-2-methoxypropyl 2-(trimethylammonio)ethyl phosphate 1.5554 0.6794 0.7651
[(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 0.5253 1.5001 0.9747
[(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (Z)-octadec-9-enoate 0.6385 1.3420 1.0195
[(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate 0.7680 1.0562 1.1758
(2S)-2-methyl-4-[(2R,12R,15R)-2,12,15-trihydroxy-15-[(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one 0.7867 1.2142 0.9990
(2S,3E,6R)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol 0.9850 1.1265 0.8885
(2S,3S)-2-amino-3-phenylbutanoic acid 0.9208 0.8020 1.2773
(2S,4S)-1-Acetoxy-16-heptadecene-2,4-diol 0.8521 0.6725 1.4754
2-Thiopheneacetonitrile 1.0977 1.6854 0.2169
2-trans,6-trans-Farnesal 1.4118 1.1106 0.4776
3-[(1-Carboxyvinyl)oxy]benzoic acid 1.1050 1.6199 0.2751
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] (Z)-octadec-9-enoate 1.0193 1.3329 0.6478
3-(2-Hydroxyphenyl)oxirane-2-carbaldehyde 1.0640 1.0439 0.8921
3,3^-Dimethoxybenzidine 1.2475 0.4382 1.3144
3,3^-Dimethylbenzidine 0.8451 1.0498 1.1051
3-(3-Methoxyphenyl)Propionic Acid 1.0552 0.8747 1.0701
3,4-Didehydrorhodopin 0.9659 1.0213 1.0129
3,4-Dihydroxy-5-methoxybenzoic acid 1.1179 0.9777 0.9043
3^,4^-Dihydroxyacetophenone 0.6827 0.5482 1.7691
3,4-Dihydroxybenzylamine 0.6849 0.6265 1.6886
3,4-Dihydroxymandelic acid 0.7661 0.6474 1.5865
3^,4^-Dimethoxyacetophenone 0.9291 1.1254 0.9455
3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol 1.0295 0.9220 1.0485
3,8^-Biflaviolin 1.0210 1.0946 0.8844
3^-Adenylic acid 1.1547 0.9108 0.9345
3-Amino-2-oxazolidone 0.7950 0.7284 1.4767
3-Azaniumyl-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate 1.2098 1.2005 0.5898
3-Buten-1-ol 0.6927 1.8051 0.5022
3^^-Chloro-3^^-deoxytriphasiol 0.6201 0.4636 1.9163
3-Chloroaniline 0.9770 1.1242 0.8988
3-Dehydrosphinganine 0.9826 0.8101 1.2074
3-Ethylphenol 1.0919 0.9573 0.9508
3-Formylsalicylic acid 0.5775 0.9522 1.4704
3-Guanidinopropionic acid 0.9504 1.1050 0.9446
3-Hydroxy-10^-apo-b,y-carotenal 0.9831 1.0078 1.0090
3-Hydroxybutyric acid 1.5932 0.8386 0.5681
3-Hydroxycoumarin 0.9700 1.1027 0.9273
3-Hydroxylidocaine 0.9256 1.1992 0.8752
3-Hydroxymugineic acid 1.0866 0.6846 1.2288
3-Hydroxypalmitoylcarnitine 0.6501 0.7795 1.5704
3-Hydroxypropanal 0.8099 0.4752 1.7149
3^-Hydroxy Repaglinide(Mixture of Diastereomers) 0.7824 1.5025 0.7152
3-Hydroxytetradecanedioic acid 0.6750 1.1762 1.1488
3-Methyl-4-(sulfooxy)but-2-enoic acid 1.2651 0.8801 0.8548
3-Methylbenzyl alcohol 0.5390 0.4750 1.9860
3-Methylmethcathinone 1.0153 0.8960 1.0887
3^-N-Acetyl-4^-O-(14-methylpentadecanoyl)fusarochromanone 0.4702 0.5340 1.9958
3-Nitroacrylic acid 1.0384 1.0938 0.8678
3-Oxolanosta-7,24Z-dien-26-oic acid 0.8996 1.1062 0.9942
3-Penten-2-one 0.7661 1.2153 1.0186
3-Phenylpropyl isothiocyanate 1.1489 1.1718 0.6793
3-(pyrazol-1-yl)-L-alanine 0.6117 0.7512 1.6371
(3S)-2-oxo-3-phenylbutyric acid 0.7751 0.9346 1.2903
(3Z,6Z,9Z)-dodecatrienol 1.1262 0.9074 0.9664
[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl (Z)-octadec-9-enoate 0.7679 1.5279 0.7042
4,4^-Dichlorobenzophenone 1.1346 1.3694 0.4960
4,4^-Methylenebis(2-methylaniline) 1.1265 0.9033 0.9702
4,5-Dihydropiperlonguminine 0.9186 0.9506 1.1309
4,5-Dihydrovomifoliol 1.1073 0.7556 1.1370
4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-piperidine 1.0074 0.9441 1.0485
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl)-3-methylbutanoic acid 1.1284 0.8610 1.0106
4,6,9-Trimethyl-3,5,8,10-tetraoxadodecane 0.7186 0.9898 1.2915
4-Allylphenol 1.0167 0.9419 1.0414
4-Amino-5-hydroxymethyl-2-methylpyrimidine 0.6167 0.6027 1.7806
4-Azaniumyl-4,5-dihydro-1,2-oxazol-3-olate 0.7318 0.6798 1.5884
4beta-Hydroxycholesterol 0.8740 0.6916 1.4343
4-Chloro-3-methylphenol 0.7336 1.9069 0.3595
4-Chloroaniline 1.2902 0.7023 1.0075
4-Chlorophenoxyacetic acid 1.0031 1.1218 0.8751
4-Chlorophenylbiguanide 0.8418 0.5355 1.6227
4-Deoxyannoreticuin 0.8228 1.5058 0.6714
4-Ethylphenol 0.7601 0.5846 1.6554
4-Hydroperoxy-2-nonenal 1.0297 0.7136 1.2567
4-Hydroxy-3-methoxycinnamaldehyde 0.9153 0.8411 1.2437
4-Hydroxy-3-octaprenylbenzoic acid 0.9362 1.1133 0.9505
4-Hydroxy-5-(3,4,5-trihydroxyphenyl)pentanoic acid 0.9987 1.0231 0.9782
4-Hydroxycinnamic acid 0.7643 0.7058 1.5299
4-Hydroxycoumarin 0.8274 1.0031 1.1695
4-Hydroxy-l-tryptophan 0.7323 0.5008 1.7670
4-Hydroxyphenylglyoxylic acid 0.8599 1.2445 0.8956
4-Hydroxystyrene 0.7881 1.2746 0.9374
4-Methoxybenzaldehyde 0.9359 0.7922 1.2719
4-Methoxycinnamaldehyde 1.3073 0.4487 1.2440
4-Methylcatechol 0.6440 0.6857 1.6704
4-Methylene-L-proline 0.8649 1.3349 0.8002
4-(Methylsulfanyl)-2-oxobutanoic acid 0.9916 0.9470 1.0615
4-Nitrobiphenyl 0.8067 1.3625 0.8308
4-Nitrocatechol 1.0046 1.0409 0.9545
4-Oxo-2-nonenal 0.9936 0.9019 1.1045
4-Pentenoic acid 0.6625 0.9088 1.4287
4-Pyridoxic acid 1.2449 0.4909 1.2641
5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol 1.0078 1.0264 0.9658
5-(3^,4^,5^-Trihydroxyphenyl)-gamma-valerolactone 1.0836 1.6814 0.2349
5,5-Dimethyl-1-pyrroline N-oxide 0.7179 1.1277 1.1544
5,5-Dimethyl-2(5H)-furanone 0.9502 1.0439 1.0059
5,6-Dichloro-1-beta-D-ribofuranosylbenzimidazole 0.8258 0.6615 1.5127
5,6-Dihydroxyindole-2-carboxylic acid 0.5126 0.2982 2.1892
5,8,11-Eicosatrienoic acid 0.9590 1.1327 0.9083
5alpha-Androstane-3alpha,17beta-diol 0.7751 1.5323 0.6926
5-fluoroindole-2-carboxylic acid 0.9242 1.1951 0.8807
5-Hydroxy-6-methoxy-3-methyl-2-octaprenyl-1,4-benzoquinone 0.9429 1.1264 0.9307
5-Hydroxymethyluracil 1.1067 1.1143 0.7789
5-Hydroxypyrrole-2-carboxylic acid 0.6630 1.4274 0.9096
5-Hydroxytryptophol 1.0292 1.0983 0.8725
5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester 0.3976 0.2112 2.3912
5-Methoxyindoleacetate 0.8793 0.8191 1.3016
5-Methyl-2-furancarboxaldehyde 1.2305 0.9538 0.8157
5-Methylangelicin 0.9931 1.2732 0.7338
5-Methylthiopentanaldoxime 0.5763 1.6252 0.7984
5-Methyluridine 0.9154 0.7297 1.3549
6,10,14-Trimethylpentadecan-2-one 0.9790 1.0642 0.9568
6-(2-Hydroxyethoxy)-6-oxohexanoic acid 1.1635 1.1286 0.7079
6-Butyltetrahydro-2H-pyran-2-one 0.9804 0.9628 1.0568
6-Hydroxycoumarin 1.0605 0.8968 1.0427
6-Hydroxyhexanoic acid 1.2343 1.1372 0.6284
6-Keto-prostaglandin F1alpha 0.5945 0.8173 1.5882
6^-Methoxycinchonan-9-ol 1.4133 0.6434 0.9433
6-Methyl-5-hepten-2-one 0.8817 0.9009 1.2173
6-Methylnicotinamide 1.0207 0.9752 1.0041
7alpha-Hydroxycholesterol 0.5040 1.1605 1.3355
7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin 0.9963 1.0527 0.9510
7-Hydroxychlorpromazine 0.5444 0.5195 1.9361
7-Methoxycoumarin 1.0577 0.9650 0.9773
7-Nitroindazole 0.9903 1.1948 0.8150
8,15-Dihete 0.8127 1.6171 0.5702
8,9-Epoxyeicosatrienoic acid 1.1910 0.7823 1.0267
8-Demethyl-8-(dimethylamino)riboflavin 0.7850 0.6982 1.5167
8-Deoxylactucin 1.1159 0.8821 1.0020
(8)-Gingerol 1.0437 0.4858 1.4705
8-Hydroxyguanosine 0.7683 0.6989 1.5328
(8R,9R,10R,13S,14R,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one 0.5429 0.7292 1.7279
9,10,13-Trihydroxystearic acid 0.9750 1.1002 0.9248
9,10-Epoxystearic acid 0.8980 0.5015 1.6006
9-Aminoacridine 1.2518 0.7959 0.9523
9-Decenal 0.7583 1.3653 0.8764
9-Hexadecenoic acid 1.0804 0.6512 1.2684
9-Octadecenal 0.7278 1.3774 0.8948
Abietic acid 0.7032 0.6261 1.6707
Acesulfame 0.9945 1.1119 0.8936
Acetoacetic acid 1.0491 1.3324 0.6185
Acetohexamide 0.5331 0.4469 2.0200
Acetylcholine 0.9444 0.8772 1.1784
Acetyl-L-carnitine 0.7963 0.5937 1.6100
Actinorhodin 1.1060 1.4164 0.4776
Acyclovir 1.0160 1.0582 0.9258
Adenosine-3^-5^-diphosphate 1.0643 1.0042 0.9315
Adenosine-5^-diphosphate 0.9666 1.1105 0.9228
Adipic acid 0.8544 0.8618 1.2838
Adrenosterone 0.9215 0.9954 1.0831
Aflatoxin M1 0.7719 0.0051 2.2230
Agroclavine 0.9637 0.8911 1.1452
Ajmalicine 0.8394 0.5996 1.5610
Alantolactone 1.1600 0.8813 0.9587
Alanylarginine 1.0324 1.0188 0.9488
Aldosterone 0.9924 1.0578 0.9498
Alfentanil 0.7571 1.2531 0.9898
Alitretinoin 0.8511 1.0518 1.0971
Allantoin 0.8072 0.6833 1.5095
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene) 0.9371 0.8567 1.2062
alpha-Dimorphecolic acid 0.9126 1.0589 1.0285
alpha-Ergocryptine 1.4950 0.5619 0.9431
alpha-Hydroxyisobutyric acid 0.7260 0.6373 1.6368
alpha-Ionone 1.1553 0.9898 0.8549
alphaS-Amino-2-[[4S-amino-4-carboxybutyl]amino]-4H-imidazo[4,5-b]pyridine-4-hexanoic acid 1.7335 0.8548 0.4117
(-)-alpha-Terpineol 0.9367 1.0076 1.0557
Alpinine 0.9820 1.0042 1.0138
Altretamine 1.1991 1.0265 0.7745
Amikacin 1.3107 0.7415 0.9479
Aminocaproic acid 1.0265 1.1786 0.7949
Aminoglutethimide 1.7263 0.5398 0.7340
Aminoguanidine 0.6704 1.8851 0.4445
Aminopentol 0.9672 0.9152 1.1176
Aminopterin 0.2769 0.2775 2.4456
Amiodarone 1.1309 1.3810 0.4881
Amodiaquine 0.9709 1.0318 0.9973
Amphetamine 0.9131 1.2489 0.8380
Ampicillin 0.7002 1.2055 1.0944
(-)-Anabasine 1.1628 0.5624 1.2747
Anethole 0.8339 0.8676 1.2986
Angelicin 1.1925 0.9446 0.8628
Angiotensin I/II (5-8) 1.0142 0.7080 1.2778
Angiotensin IV 0.9597 0.7961 1.2442
Aniline 1.0957 1.4268 0.4775
APGPR Enterostatin 1.1433 0.5173 1.3395
Apocarotenal 0.5678 0.8322 1.6000
Arachidic acid 1.0405 1.0771 0.8824
Arachidonoyl PAF C-16 0.5848 1.6475 0.7676
Arg-Ile 0.9289 1.1237 0.9474
Armillaricin 0.8612 1.1198 1.0189
Armillarin 1.0174 1.0755 0.9072
AS 1-5 0.9161 1.2507 0.8332
Asclepin 1.1671 0.8594 0.9735
Asn-Trp 0.8403 0.7084 1.4513
Aspartylcysteine 1.0855 1.1450 0.7695
Asp-Lys 0.7447 0.7202 1.5351
Astemizole 0.9233 0.7470 1.3297
Atazanavir 0.7152 0.6287 1.6561
Atorvastatin 1.0304 1.0684 0.9012
Atractylenolide III 1.0026 0.9004 1.0969
Auda 0.8158 1.3408 0.8434
Aurantio-obtusin 0.9759 0.9659 1.0582
Azacitidine 0.7742 0.6921 1.5337
Azaperone 1.0466 0.8176 1.1358
Azelaoyl PAF 0.2297 0.1089 2.6614
Bacteriohopanetetrol glucosamine 0.8831 1.2145 0.9024
Bamethan 0.7810 1.1277 1.0913
behenate 1.0759 1.0185 0.9056
Benthiavalicarb-isopropyl 0.6079 0.6616 1.7306
Benzamide 0.8679 0.9545 1.1776
Benzidine 1.0010 1.1917 0.8072
Benzophenone 0.8470 1.1455 1.0075
Benzoylagmatine 0.9088 1.2419 0.8493
Benzoylecgonine 0.6834 0.5959 1.7207
Benzyl isothiocyanate 0.6408 0.9462 1.4131
Benzyl methyl disulfide 1.0087 0.7337 1.2576
Bepridil 1.0135 0.8696 1.1169
beta-Carotene 1.0554 1.0503 0.8942
beta-D-glucosyl-N-[(17Z)-hexacosenoyl]sphingosine 0.7207 1.2754 1.0039
Betaine aldehyde 1.3338 0.5784 1.0878
Betamipron 0.9851 0.8655 1.1494
Betaxolol 0.3164 0.3773 2.3063
Bindarit 1.0788 1.0745 0.8468
Biopterin 0.7221 0.6099 1.6679
Bis(2-ethylhexyl) phthalate 0.9116 0.9290 1.1594
Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene 1.1348 0.8687 0.9966
Bisdemethoxycurcumin 1.0930 0.9021 1.0049
Bisphenol A 0.6843 0.7395 1.5763
Bucharaine 0.7572 0.6164 1.6264
Buprenorphine 1.1461 1.0703 0.7837
Buprofezin 1.1999 0.8754 0.9247
Busulfan 0.9188 1.1846 0.8966
Butopyronoxyl 0.9707 0.9253 1.1039
Butorphanol 0.9575 1.0121 1.0305
C-12 NBD-dihydro-Ceramide 1.1267 0.8359 1.0374
C22 Sphingomyelin 1.6178 0.6998 0.6824
Cabergoline 1.3695 0.5168 1.1137
Caffeic acid 0.7929 0.7514 1.4557
Caffeine 1.1735 0.8616 0.9649
Calcipotriol 0.7926 1.0415 1.1659
Camphene 0.5406 0.8623 1.5971
Capecitabine 1.0732 0.9025 1.0243
Capsidiol 1.0542 0.9509 0.9949
Carbazole 0.8859 1.0554 1.0588
Carbophenothion 0.8828 0.7344 1.3827
Carnitine-2-methyl-C4 0.8957 1.0203 1.0840
Carnitine C18:1 0.6438 0.7879 1.5683
Carnitine C3:0 1.2272 1.0065 0.7663
Carnitine isoC4:0 0.8594 0.6895 1.4512
Carvyl acetate 1.5615 0.6335 0.8049
Celastrol 1.0845 1.1743 0.7412
Cerebroside B 1.0081 0.9767 1.0151
Cetaben 0.9288 0.9374 1.1338
Chelidonine 0.5187 0.4227 2.0586
Chloramphenicol 0.6749 0.7129 1.6123
Chlorbufam 0.9213 0.9414 1.1373
Chlormequat 0.9558 0.9886 1.0555
Chloroform 1.1713 0.9584 0.8703
Chloroxylenol 0.9895 1.0451 0.9655
Chlorphenesin 0.8837 0.7550 1.3614
Cholest-5-en-3beta-yl nonadecanoate 1.0093 1.3503 0.6404
Choline 0.9529 0.6194 1.4277
Chymostatin 1.2137 0.6737 1.1126
Ciclesonide 0.6514 0.8867 1.4619
Cinnamic Acid 0.5777 0.5161 1.9062
cis-11-Methyl-2-dodecenoic acid 1.1653 0.8174 1.0173
cis-Murisolinone 1.0132 1.1640 0.8228
Citraconic Acid 1.0937 0.8912 1.0151
Citraconic anhydride 0.6905 0.5953 1.7143
Citromitin 0.8046 1.1029 1.0924
Citrulline 1.1572 0.8680 0.9748
Clitidine 1.0539 0.7506 1.1955
Clofibrate 0.9719 0.7911 1.2371
Clomipramine 0.6130 0.4618 1.9252
Clopidol 0.9273 1.7813 0.2915
Clotrimazole 1.0526 0.7352 1.2122
Clozapine 0.3147 0.3038 2.3814
Coenzyme Q8 0.7226 0.7045 1.5729
Colchicine 1.0242 0.8754 1.1004
Colfosceril palmitate 0.7082 1.1457 1.1461
Conessine 0.8958 1.1089 0.9953
Convolamine 1.0501 0.9779 0.9720
Cortexolone 0.8226 1.4728 0.7046
Corticosterone 1.1153 1.3691 0.5156
Costunolide 0.5909 0.8578 1.5513
cotinine N-oxide 1.0463 1.0545 0.8991
Creatinine 0.7629 0.7726 1.4645
Crotamiton 1.0037 0.9407 1.0556
Crotonic acid 0.9774 1.0036 1.0190
Cucurbitacin E 1.5545 0.9820 0.4635
Cucurbitacin I 0.9683 1.1341 0.8977
Cuminaldehyde 0.8874 0.9856 1.1270
Cyanophos 0.8779 1.1178 1.0043
Cyclic AMP 0.5858 0.3097 2.1045
Cyclocreatine 0.5779 0.5490 1.8731
Cyclohexanol, 4-methyl-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1S,3E,4S)- 0.9674 1.2885 0.7441
Cycloheximide 0.7354 0.5946 1.6700
Cyclopamine 0.7818 0.9579 1.2602
Cyclopentanethiol 1.1049 0.7728 1.1224
Cyclopentolate 1.0658 0.9303 1.0039
Cyperine 0.9292 1.1644 0.9064
Cytidine-5^-monophosphate 0.9731 1.0819 0.9450
Cytosine 1.0949 1.2040 0.7011
Daidzin 1.0240 0.6875 1.2886
Darifenacin 0.6050 0.7317 1.6634
Dazomet 0.9227 0.8939 1.1834
D-Camphor 0.9217 0.8680 1.2103
Deethylatrazine 1.0140 0.5907 1.3953
Dehydroascorbic acid 0.5110 0.5262 1.9628
Dehydrocostus lactone 0.8961 1.2212 0.8826
Dehydropipernonaline 0.6887 0.6470 1.6642
delta-Hexanolactone 0.7232 1.3901 0.8867
Deltaline 1.5192 0.6634 0.8174
Demeton-S-methyl 0.8103 1.4169 0.7727
Desmethylclomipramine 0.7760 0.5286 1.6954
Deterrol stearate 0.8729 1.1485 0.9786
Dexamisole 0.7193 0.5858 1.6949
Dexrazoxane 0.9618 1.0757 0.9625
DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 1.4892 0.7987 0.7121
D-Homocysteine 1.0138 0.9472 1.0390
Diallyl disulfide 0.7967 1.2943 0.9090
Diallyl sulfide 0.7932 1.7378 0.4690
Diammonium ethylenebis(dithiocarbamate) 1.0126 1.0863 0.9011
Diaveridine 0.9098 0.9101 1.1801
Diazoxide 0.9098 1.3739 0.7164
Dibasic sodium phosphate 0.8882 1.4237 0.6881
Dichlofenthion 0.8808 1.4259 0.6933
Dicyclohexylamine 0.6779 0.5208 1.8014
Diethanolamine 0.9577 0.8185 1.2238
Diethylpropion 1.0598 0.9526 0.9876
Diethyltoluamide 0.9080 0.9036 1.1885
Difenzoquat 1.1505 0.8436 1.0058
Dihomo-gamma-linolenoylethanolamide 0.9581 1.2555 0.7864
Dihydro-3-methyl-2(3H)-furanone 1.0308 0.8242 1.1451
Dihydro-5-propyl-2(3H)-furanone 0.8926 1.0204 1.0870
Dihydroactinidiolide 0.9606 0.8925 1.1469
Dihydroberberine 1.3147 0.4339 1.2514
Dihydrobiopterin 0.6160 0.5855 1.7985
Dihydroferulic acid 0.9061 0.8666 1.2273
Dihydrokavain 0.6824 0.7448 1.5727
Dihydrorhodamine 123 1.0481 0.9945 0.9575
Dihydrouracil 1.0903 1.1652 0.7445
Diisobutyl phthalate 0.8243 0.9337 1.2420
Diisooctyl phthalate 0.9190 0.7883 1.2927
Diltiazem 0.9594 0.6514 1.3892
Dimethyl fumarate 1.0268 0.8743 1.0989
Dimethylglycine 0.8089 0.5704 1.6207
Dimethyl phthalate 1.2116 0.8260 0.9624
Dimethyl suberate 0.8745 0.6714 1.4541
Dimethyl succinate 1.1718 1.0704 0.7578
Dimethylurea 1.3034 1.1713 0.5253
Dioctyl phthalate 0.8955 0.9248 1.1798
Dioleoylphosphatidylcholine 0.9996 0.5467 1.4537
Diosgenin 0.7452 1.1200 1.1348
Diphenidol 1.0694 0.6104 1.3202
Dipivefrin 0.8394 0.6739 1.4867
Disogluside 0.7651 1.2643 0.9706
Disopyramide 1.1632 1.0116 0.8252
D-Kynurenine 1.0443 0.9493 1.0064
DL-3,4-Dihydroxyphenyl glycol 1.0878 1.1471 0.7651
DL-Leucine 0.7384 0.6952 1.5664
DL-Methionine 0.9343 0.7388 1.3268
DL-Pyroglutamic acid 0.9254 0.9442 1.1305
Docosahexaenoyl Ethanolamide 0.4945 0.8984 1.6071
Dodecanedioic acid 0.8334 0.9592 1.2075
Dodecanoic acid 1.0452 0.9664 0.9884
Dodecyl glucopyranoside 1.0269 1.0099 0.9632
Dolasetron 1.0103 0.8218 1.1679
Dopamine 1.2002 0.7596 1.0403
D-Ornithine 0.7709 0.9561 1.2729
Doxercalciferol 0.8499 1.1406 1.0094
D-Proline 0.5630 1.8544 0.5826
Dropropizine 1.2161 0.7100 1.0739
Dyphylline 0.9004 0.6168 1.4828
(E)-2-Butenyl-4-methyl-threonine 1.0497 0.8826 1.0678
Ebastine 1.6261 0.5987 0.7752
Ecdysone 0.9910 0.8808 1.1282
Echinocystic acid 1.1301 1.0229 0.8470
Ectoine 1.0566 0.9335 1.0099
(E,E)-2,4-heptadienal 0.9284 0.9804 1.0912
Eicosadienoic acid 1.2534 1.0633 0.6833
Eletriptan 0.8248 1.0424 1.1327
Enalaprilat 0.8270 0.8690 1.3040
Enantio-PAF C-16 0.6103 0.4723 1.9174
Endomorphin 2 0.5158 0.5668 1.9174
Enoxacin 0.9853 0.8585 1.1562
Epigallocatechin 1.0354 0.7598 1.2048
Epigallocatechin gallate 0.7526 0.8051 1.4423
Epsilon-caprolactam 0.8797 0.9893 1.1311
Ercalcitriol 1.0044 1.0478 0.9478
Ergocornine 1.2080 0.9439 0.8481
Ergocristine 0.0607 0.0607 2.8787
Ergosterol peroxide 0.9793 0.7934 1.2273
Erythorbic acid 0.9797 1.3049 0.7154
Erythrono-1,4-lactone 0.9985 1.1172 0.8844
Esmolol 1.5540 0.5942 0.8517
Estrone 0.8155 1.0167 1.1677
Ethanethioic acid, S-[1-methyl-1-[(1R,4R)-4-methyl-2-oxocyclohexyl]ethyl] ester 0.8411 0.8512 1.3077
Ethephon 0.8505 1.0245 1.1251
Ethisterone 1.0318 1.0553 0.9129
Ethosuximide 0.9108 0.9558 1.1334
Ethoxzolamide 1.1147 0.9951 0.8902
Ethyl hexadecanoate 0.9423 1.0425 1.0152
Ethylmorphine 0.8988 0.7483 1.3529
Ethyl trans-2-hexenoate 0.8113 1.5431 0.6456
Ethyl vanillin 0.5989 0.7747 1.6264
Etilamfetamine 0.7651 1.6335 0.6015
Etofenamate 0.7919 0.7105 1.4977
Euscaphic acid 0.8434 0.5702 1.5863
Exemestane 0.6477 1.2488 1.1035
FAPy-adenine 0.8592 0.7041 1.4368
Fasciculic acid C 0.7657 1.2467 0.9876
Felbamate 0.6110 0.4469 1.9421
Fendiline 1.3061 1.0062 0.6877
Fenethylline 0.8392 0.6939 1.4669
Fenoterol 0.8007 0.4527 1.7466
Ferulic acid 0.9331 1.0214 1.0455
Fexofenadine 1.1726 0.8666 0.9609
FFA(10:1) 1.1279 0.8682 1.0038
Finasteride 0.8360 1.1805 0.9835
Fipexide 0.7925 0.9037 1.3038
Firefly luciferin 1.0017 1.0065 0.9919
Flavin adenine dinucleotide 1.0189 0.7129 1.2682
Flubendazole 0.7294 0.7183 1.5522
Fluchloralin 0.4385 0.5756 1.9859
Flucytosine 1.1980 1.1891 0.6129
Fludrocortisone acetate 1.0957 0.8853 1.0190
Fluometuron 0.9520 0.6373 1.4107
Fluphenazine sulfoxide 0.9115 1.0743 1.0142
Flurandrenolide 0.8401 0.9358 1.2241
Flurazepam 0.5608 0.7565 1.6828
Folic acid 0.4754 0.3473 2.1773
Fomepizole 1.5341 0.7463 0.7196
Forchlorfenuron 0.9582 1.0521 0.9898
Fraxidin 0.9277 1.0931 0.9792
Fumitremorgin C 0.9193 0.1087 1.9720
Furazolidone 0.9512 1.0490 0.9998
Furfuryl alcohol 0.5176 0.6897 1.7928
Gabexate 0.3863 0.3522 2.2614
Galantamine 1.0294 1.0445 0.9260
Galegine 1.0131 1.1072 0.8797
Gallic acid 1.0461 1.0879 0.8660
Gamma-Caprolactone 0.9952 0.9824 1.0224
gamma-Glutamyl-2-aminobutyrate 0.9175 0.6324 1.4501
gamma-L-Glutamyl-L-pipecolic acid 1.5942 0.4174 0.9884
Ganodosterone 0.9522 1.0457 1.0022
GcNeu 0.8974 1.3387 0.7638
Genipin 0.6116 0.4856 1.9028
Gentian violet cation 0.7990 0.5252 1.6758
Geranyl acetate 1.1596 0.9057 0.9347
Geranylgeraniol 1.1644 0.9265 0.9091
Geranyllinalool 0.7783 1.3949 0.8268
Germacrone 0.7790 0.8305 1.3905
Gingerol 0.9783 0.6602 1.3615
Ginkgolide B 0.4756 0.4295 2.0948
Ginsenoside Rg3 0.7451 1.2718 0.9831
Glucosaminic acid 1.2482 1.0957 0.6561
Glucovanillin 1.0144 0.7608 1.2248
Glucuronic Acid 0.7893 1.4372 0.7734
Glu-glu 1.0407 0.9231 1.0362
Glu-His 0.9897 0.7564 1.2539
Glu-Met 0.6101 0.5868 1.8031
Glutaminylalanine 0.9701 0.8981 1.1319
Glutathione 0.9100 1.1915 0.8985
Glyburide 0.6653 0.7637 1.5709
Glycerol 1.1271 0.7836 1.0894
Glycerol 1-(5-hydroxydodecanoate) 0.9249 1.3633 0.7118
Glycerol Tributyrate 1.0146 0.9320 1.0533
Glycerophospho-N-Palmitoyl Ethanolamine 0.8725 0.7908 1.3368
Glycidyl oleate 0.9881 1.1225 0.8894
Glycine 1.0895 1.0303 0.8802
Glyc-Pro 0.7792 1.2211 0.9997
Gnoscopine 0.7863 0.4513 1.7625
Gossypetin 8-glucuronide 3-sulfate 1.0284 1.1052 0.8664
Guaifenesin 0.8279 1.3380 0.8341
Guanidinosuccinic acid 0.6641 0.6391 1.6968
Guanosine-5^-diphosphate 1.0314 1.3212 0.6474
Haloperidol 1.1640 0.9672 0.8688
Harmaline 0.7309 0.6691 1.6000
Heneicosanoic acid 1.0156 1.0306 0.9538
Heptethylene glycol 0.9813 0.9064 1.1123
Hexadecylamine 1.0025 1.5035 0.4940
Hexaethylene glycol 1.0606 0.9390 1.0004
Hexamethylene bisacetamide 1.1121 0.7120 1.1760
Hexanoylglycine 0.7072 0.6802 1.6126
Hexazinone 1.0688 0.7971 1.1341
Hexetidine 0.7758 0.8209 1.4032
Hexylresorcinol 0.8640 0.9158 1.2202
Histidinol 0.5927 0.3383 2.0690
Hydrocodone 0.8520 0.7791 1.3689
Hydroquinone 0.9737 0.7913 1.2350
Hydroxyomeprazole 0.8498 0.4493 1.7010
Hydroxyquinoline 0.8299 0.9433 1.2268
Hydroxytyrosol 0.7634 0.7178 1.5189
Hyocholic acid 0.9894 0.8799 1.1307
Hypotaurine 1.0338 1.3196 0.6466
Hypoxanthine 0.2863 0.6612 2.0525
Ile-Met 0.9769 1.3480 0.6751
Imatinib 1.0905 0.8398 1.0696
Imidazolepropionic acid 0.9164 1.2695 0.8141
Iminodiacetic acid 0.7161 0.6330 1.6509
Imiquimod 0.9674 0.8831 1.1495
Indecainide 0.9117 0.8809 1.2074
Indole 0.9660 0.9530 1.0809
Indoleacetic acid 0.6582 0.5533 1.7885
Indolepyruvate 0.5158 0.6515 1.8327
Inositol 0.9345 0.5556 1.5099
Irbesartan 1.0686 0.9300 1.0013
Irinotecan 0.9994 0.8705 1.1300
Isobavachalcone 0.9497 0.6111 1.4392
Isocarbamid 0.8226 0.8515 1.3259
Isocitric acid 1.0350 0.7588 1.2062
Isofraxidin 0.9559 1.0316 1.0125
Isoleucylleucine 0.8394 0.2764 1.8842
Isolithocholic acid 1.0177 1.0271 0.9552
Isoniazid 0.7872 0.7710 1.4418
Isonicotinamide 0.8920 0.8512 1.2568
Isonicotinic acid 1.1585 0.2407 1.6009
Isopalmitic acid 1.0004 0.9565 1.0431
Isopentenyl pyrophosphate 0.9784 1.0697 0.9520
Isophorone 0.7986 0.9169 1.2845
ISOPRENE 1.0372 0.8165 1.1463
Isopropalin 0.9531 0.6019 1.4450
Isoprothiolane 1.0083 1.0361 0.9556
Isoquinoline 0.6493 1.4427 0.9080
Isorenieratene 0.6702 0.8351 1.4947
isovaleryl-Val-Val-Sta(3xi,4xi)-Ala-Sta(3xi,4xi)-OH 0.4712 0.5143 2.0146
Isovanillic acid 1.0980 0.7899 1.1121
Itaconic acid 0.8945 0.7491 1.3564
juvenile hormone III 0.9112 0.7334 1.3555
Kanamycin 1.1978 1.0975 0.7047
Ketoprofen 0.8547 0.6898 1.4555
Ketotifen 0.3893 0.1728 2.4379
Kojic acid 1.1106 1.6357 0.2537
Kynuramine 1.2720 0.4175 1.3105
Lactucaxanthin 0.8025 1.2804 0.9172
L-Arabitol 1.0408 1.0877 0.8714
L-Argininosuccinic acid 0.3140 0.2638 2.4222
Laudanosine 1.0261 0.8673 1.1066
L-cystathionine 0.9407 0.5426 1.5167
L-Deoxyalliin 0.8548 0.8607 1.2845
Leucyl-leucyl-tyrosine 1.0121 0.6869 1.3010
Leu-Ile 1.6721 0.5713 0.7566
Leukotriene B4 ethanolamide 0.9963 0.9513 1.0524
Leu-Val 1.1421 0.3196 1.5383
Levocarnitine propionate 0.8541 0.8313 1.3146
Levoglucosan 0.7094 1.0150 1.2756
L-Homoarginine 1.0810 1.1156 0.8034
L-Homophenylalanine 0.2959 0.2579 2.4462
Limonin 0.9511 1.1312 0.9177
Linalyl acetate 0.8413 1.0473 1.1114
Linezolid 1.0389 0.5463 1.4148
Linoelaidic acid 1.1209 1.2255 0.6536
L-Isoleucine 0.8104 1.1552 1.0344
Lithocholic acid 1.0530 1.0319 0.9151
Lithospermoside 1.0594 0.6020 1.3386
L-Leucine 0.3273 0.6155 2.0572
L-Leucyl-L-alanine 0.9465 1.1010 0.9525
L-methionine sulfoxide 1.1014 1.6207 0.2779
L-Norleucine 0.5270 0.5661 1.9069
Lopinavir 0.6118 0.6634 1.7248
L-Palmitoylcarnitine 0.7429 0.8617 1.3954
LPC(0:0/14:0) 0.9877 1.0938 0.9184
LPC(0:0/16:0) 0.8635 0.4726 1.6640
LPC(0:0/20:4) 0.9851 0.7363 1.2786
LPC(0:0/22:5) 0.9331 0.9467 1.1203
LPC(16:1/0:0) 0.6368 0.5033 1.8599
LPC(18:0/0:0) 1.0880 0.7031 1.2089
LPC(18:1/0:0) 0.8786 0.6532 1.4682
LPC(O-16:0/2:0) 0.9075 0.9504 1.1421
LPE(14:0/0:0) 1.0021 0.7795 1.2184
LPE(16:0/0:0) 0.9889 0.8649 1.1463
LPE(16:1/0:0) 0.7440 0.6786 1.5774
LPE(18:0/0:0) 0.8307 0.8939 1.2754
LPE(18:2/0:0) 0.7988 0.7115 1.4897
L-Phenylalanine 0.6896 0.6391 1.6713
L-Proline 0.6916 0.8658 1.4426
L-Prolyl-L-methionine 0.8010 0.5620 1.6370
L-Propargylglycine 0.9729 0.7661 1.2610
L-Threonine 0.9332 1.0478 1.0191
L-Tryptophanamide 0.8155 0.6896 1.4949
L-Tyrosine 0.7822 0.7057 1.5121
Luffariellolide 0.9112 1.0433 1.0455
Lumazine 0.8057 0.8659 1.3284
Lumichrome 0.9672 0.7717 1.2611
L-Valine 0.7263 0.8222 1.4515
Lys-Asp 0.6844 0.6866 1.6290
Maltol 1.1070 1.2383 0.6548
Malvidin 0.9986 0.7819 1.2195
Manoalide 1.0303 1.1022 0.8675
Maslinic acid 0.8671 1.1779 0.9551
Matairesinol 1.1732 0.9879 0.8389
Medica 16 1.1040 1.1059 0.7901
Medroxyprogesterone 1.0423 0.9647 0.9929
Mefenamic acid 0.9769 1.0289 0.9942
Melamine 0.7143 0.5190 1.7666
Melatonin 0.7794 1.1385 1.0820
Menatetrenone 0.8488 1.0870 1.0642
Mephentermine 1.0490 0.8807 1.0703
Mepiquat chloride 0.6960 1.4038 0.9003
Meropenem 0.9778 0.8359 1.1863
Metaxalone 0.9769 1.2051 0.8179
MET-enkephalin 1.1120 0.7474 1.1407
Metformin 0.9077 0.9713 1.1210
Methoxyphenamine 0.9800 0.9498 1.0702
Methyl 1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]-decahydronaphthalene-1-carboxylate 0.8920 1.1826 0.9255
Methyl 2-octynoate 1.0036 1.1563 0.8401
Methyl 3-methyl-2-oxopentanoate 1.1894 1.0320 0.7786
Methyl beta-D-galactopyranoside 1.1691 0.6638 1.1672
methylcarbamyl PAF 1.0503 1.1010 0.8486
Methyl cinnamate 0.9892 0.7548 1.2560
Methylcyclopentane 0.8470 1.1087 1.0443
Methylergonovine 1.7121 0.4023 0.8856
Methyl linoleate 1.0940 1.2003 0.7057
Methylmalonic Acid 0.7085 0.7069 1.5846
Methyl nicotinate 0.6405 0.9050 1.4545
Methyl stearate 1.0648 0.8282 1.1071
Methylthiouracil 1.0692 1.0431 0.8877
Metoprolol 1.1366 1.0657 0.7977
Metyrapone 0.9335 1.0738 0.9927
Mexiletine 0.9947 0.8885 1.1168
MG(0:0/19:0/0:0) 0.9899 1.0155 0.9946
MG(16:0/0:0/0:0) 1.1347 0.6344 1.2309
MG(18:0/0:0/0:0) 1.0215 0.8652 1.1134
MG(18:1/0:0/0:0) 0.9753 0.6100 1.4147
MG(18:2/0:0/0:0) 1.1267 0.8207 1.0527
Miltefosine 0.9663 1.0161 1.0176
Minocycline 0.9877 0.5689 1.4434
Mirtazapine 1.1224 0.8340 1.0436
Mitoxantrone 0.3652 0.3734 2.2614
Mitraphylline 1.4343 0.8266 0.7390
Monocrotophos 0.9718 1.0288 0.9994
Monoisobutyl phthalate 1.0657 0.8696 1.0647
Morpholine 0.8501 1.2801 0.8698
Moschamine 0.6667 0.4546 1.8787
Muricatocin B 0.7588 1.3112 0.9300
muricin D 1.0743 0.9692 0.9565
Mycolactone E 0.7065 1.2342 1.0593
Mycolactone F 0.5492 1.7723 0.6784
Mycophenolate mofetil 0.9963 1.2371 0.7667
Mycophenolic acid 1.0195 0.8057 1.1749
Myosmine 1.0115 1.0657 0.9228
Myricitrin 1.0113 1.0218 0.9669
Myristoleic acid 0.9397 1.0092 1.0511
Myristoylcarnitine 0.7189 0.9222 1.3589
N-(1,3-Dihydroxyoctadecan-2-YL)-6-[(7-nitro-2,1,3-benzoxadiazol-4-YL)amino]hexanamide 0.7949 1.0820 1.1231
N-(1-Deoxy-1-fructosyl)leucine 0.3287 0.2824 2.3888
N-(2-hydroxyethyl)icosanamide 0.9375 1.1695 0.8930
N-(3-(Aminomethyl)benzyl)acetamidine 0.9117 0.9512 1.1371
N-[4-(3-acetamidopropylamino)butyl]acetamide 0.7783 0.3658 1.8559
N-[(4E,8Z)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide 1-glucoside 1.0927 1.0932 0.8141
N5-methylglutamine 1.0359 0.8832 1.0809
N-(9Z-octadecenoyl)-sphing-4-enine-1-phosphocholine 0.9036 0.9474 1.1490
Nabumetone 0.6202 0.3672 2.0126
N-Acetylarylamine 0.9243 0.9311 1.1446
N-Acetyl-beta-alanine 1.0876 0.9399 0.9725
N-Acetylcysteine 0.9500 0.7828 1.2672
N-Acetyl-D-lactosamine 1.1091 0.9249 0.9659
N-Acetyl-L-alanine 1.1411 0.9915 0.8675
N-Acetylserotonin 0.9684 0.8292 1.2025
Nadide 1.0422 0.9419 1.0159
Naftidrofuryl 1.5545 0.7617 0.6837
Naled 0.9118 1.3757 0.7125
Nandrolone decanoate 1.0673 0.9641 0.9685
Nantenine 0.9941 0.7499 1.2560
Naphazoline 0.6250 1.1002 1.2748
Navenone B 0.8063 0.6523 1.5414
N-Desmethyl tapentadol 0.8224 0.6303 1.5474
N-Desmethylzopiclone 0.3717 0.3320 2.2963
Neocasomorphin(1-5) 0.9239 0.8025 1.2736
Neopine 0.9385 0.6562 1.4052
Nepafenac 0.7478 0.7679 1.4843
N-Ethylacetamide 0.6995 1.3920 0.9085
N-Hydroxy-L-asparagine 0.6219 0.7753 1.6028
N-(Hydroxymethyl)acrylamide 1.0769 1.4173 0.5059
Niacinamide 0.6227 0.6906 1.6867
(+)-Nicotine 1.0464 1.0286 0.9250
Nicotine 1.0363 0.8635 1.1002
Nipecotic acid 1.0765 1.2715 0.6520
Nitrofurantoin 1.0077 0.7855 1.2067
Nitrofurazone 0.7848 0.9336 1.2816
Nivalenol 0.2582 0.3151 2.4267
Nizatidine 0.3816 0.2754 2.3430
N-Methylbenzylamine 0.6023 0.5156 1.8821
N-Methylhydantoin 0.9180 0.9045 1.1775
N-methyl-L-glutamic Acid 0.9883 0.6618 1.3499
N-Methylputrescine 0.9411 0.8412 1.2177
N-nitrosodimethylamine 1.3196 1.0559 0.6245
N-Nitroso-pyrrolidine 0.6890 1.0019 1.3091
N,N,N-Trimethyl-Histidine 0.8728 0.9948 1.1324
N-Nonanoylglycine 1.2170 0.8021 0.9809
Noladin ether 1.1366 0.8202 1.0432
N-oleoylglycine 0.8689 0.7185 1.4126
Nonadecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethyl ester, (R)- 0.6225 1.5159 0.8616
Nonoxynol-9 0.5277 0.4225 2.0498
Nootkatone 1.0121 0.9512 1.0367
Nopol 0.9147 0.9334 1.1519
Norambreinolide 0.9362 1.0885 0.9753
Norethindrone 0.6227 0.5673 1.8100
Norfludiazepam 0.9670 1.0761 0.9569
Normetanephrine 0.7589 0.7756 1.4655
Nortriptyline 0.4661 1.1438 1.3901
Novaluron 1.0288 1.0986 0.8726
N-Palmitoyldihydrosphingomyelin 0.5951 1.4948 0.9101
N-Phenylacetylphenylalanine 0.9745 1.0250 1.0006
N-retinylidene-N-retinylethanolamine 0.8683 1.0792 1.0524
N-trans-Feruloyloctopamine 0.5453 0.4114 2.0434
N-tridecanoylglycine 1.1340 0.9048 0.9611
Obacunone 0.7459 1.2819 0.9722
Octadecanamide 1.1483 1.0379 0.8137
Octadecylamine 0.9358 1.3493 0.7149
Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one 0.7978 1.1336 1.0686
Octanal 1.0573 0.6677 1.2750
Octopamine 1.0584 0.9737 0.9678
Oleoyl tyrosine 0.9312 0.7913 1.2774
O-Methylisourea 0.7251 1.0340 1.2409
Ornithine 0.4467 0.3205 2.2328
Osthole 1.0904 0.8329 1.0767
O-Toluidine 0.8854 0.9777 1.1369
O-ureido-D-serine 1.0971 1.5639 0.3390
Oxiglutatione 1.0150 0.9709 1.0141
Oxoamide 0.9933 1.0782 0.9285
o-Xylene 0.6148 1.0017 1.3835
Oxyphencyclimine 0.9582 0.5982 1.4436
Oxyphenonium 1.0251 0.9902 0.9847
PA(20:3(5Z,8Z,11Z)/24:0) 1.0239 1.0259 0.9502
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 0.6417 1.5252 0.8331
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) 0.6014 1.6226 0.7760
Palmitic amide 1.1298 1.0895 0.7807
Palmitoylcarnitine 0.6441 0.7404 1.6155
Pantothenic acid 1.1155 0.8189 1.0656
PA(P-16:0/18:2(9Z,12Z)) 0.7533 1.2989 0.9478
Papaverine 0.8649 0.6080 1.5271
Paraxanthine 1.0135 1.0241 0.9624
Parecoxib 0.7867 1.6415 0.5718
Paullinic acid 0.9233 1.1515 0.9251
PAz-PC 0.8044 1.2242 0.9714
PC(14:0/20:4(5Z,8Z,11Z,14Z)) 0.3840 2.3133 0.3027
PC(15:0/20:4(5Z,8Z,11Z,14Z)) 1.2257 0.7825 0.9917
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 0.7755 1.2114 1.0131
PC(8:0/8:0) 0.5757 0.3855 2.0388
PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 0.9805 1.3818 0.6378
PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 0.7629 1.0103 1.2268
p-Coumaroylagmatine 1.0813 0.8028 1.1159
p-Coumaroyltyramine 0.9015 1.1185 0.9800
PC(P-18:0/20:4(5Z,8Z,11Z,14Z)) 0.9185 1.1086 0.9728
Pectolinarigenin 0.9661 0.9799 1.0540
Pefloxacin 0.9764 0.7774 1.2462
Pelargonic acid 1.0254 0.9570 1.0177
(+)-Penbutolol 1.0074 1.0012 0.9914
Penicilloic acid 0.4427 0.4650 2.0923
PE-NMe(18:1(9Z)/18:1(9Z)) 0.9147 1.1394 0.9459
PE-NMe2(16:0/16:0) 0.6485 1.4721 0.8794
Pentadecylamine 0.7771 1.0162 1.2068
Pentamidine 0.6670 0.5665 1.7665
Pentostatin 0.8915 0.9772 1.1313
PE(P-16:0/18:2(9Z,12Z)) 0.6895 1.3195 0.9910
PE(P-18:0/18:4(6Z,9Z,12Z,15Z)) 1.1198 1.0760 0.8042
Pergolide 0.8939 0.5550 1.5511
Perillartine 1.1303 0.6687 1.2010
Perindopril 1.1140 1.0283 0.8576
Perindopril erbumine 0.6538 0.7896 1.5567
PG(a-13:0/18:2(9Z,11Z)) 0.2406 0.3564 2.4030
Phenethylamine 0.6779 0.6441 1.6780
Phenformin 1.1261 0.9768 0.8971
Pheniramine 0.7585 0.9018 1.3397
Phenol 0.9267 0.9013 1.1720
Phenylalanylphenylalanine 1.0409 0.8643 1.0948
Phenylalanyltyrosine 0.2582 0.2309 2.5108
Phe-Pro 0.7812 0.9661 1.2527
Phlorizin 0.9743 1.0014 1.0243
Phosphocholine 0.9873 1.1430 0.8697
p-Hydroxybenzalacetone 1.1332 0.7051 1.1617
p-Hydroxyphenylacetothiohydroximate 0.9273 1.5258 0.5470
Phytol 1.0236 1.2240 0.7524
Phytosphingosine 0.9717 0.9390 1.0893
Picolinamide 0.6824 1.5645 0.7531
Pipecolic acid 0.5903 0.5628 1.8468
Piperazine 0.7109 0.5930 1.6960
Piperidine 0.7586 0.6029 1.6385
Piperidine acid 1.8071 0.5743 0.6186
Piperine 0.9861 0.6521 1.3618
Piperitone 0.9238 1.0233 1.0530
Piperonyl sulfoxide 1.1612 0.4342 1.4046
Pirimicarb 1.0273 0.9694 1.0033
Platydesminium 1.4509 0.7393 0.8098
Poloxamer-188 1.0687 0.9365 0.9948
Polyethylene, oxidized 0.6876 0.9129 1.3996
Polygodial 1.0146 0.7190 1.2664
Polytuftsin 0.9510 1.3464 0.7026
Pranlukast 0.1347 0.1310 2.7343
Praziquantel 0.8238 0.5590 1.6171
Prednisolone tebutate 0.9259 0.9685 1.1057
Pregabalin 1.0136 1.0620 0.9244
Pregnanediol 0.8884 0.7462 1.3654
Prima-1 0.9163 0.9693 1.1144
Pristanic acid 0.7422 0.7682 1.4896
Procarbazine 1.0063 0.9905 1.0032
Prolyl-Histidine 0.6983 1.0158 1.2859
Prolyltryptophan 0.9120 0.8242 1.2639
Propyzamide 0.7950 0.9617 1.2434
Prostaglandin D1 0.8133 0.9748 1.2119
Pro-Thr 0.9712 0.4727 1.5561
Protopine 0.3823 0.4717 2.1460
PS(18:0/20:4) 0.7450 1.2730 0.9821
Pseudoephedrine 0.9695 1.1317 0.8988
psi-Pelletierine 0.8542 0.9602 1.1856
Psoralen 1.1051 0.8926 1.0023
p-Synephrine 1.0149 1.0943 0.8908
P-Toluenesulfonamide 0.7935 0.7940 1.4125
Pulegone 0.9339 1.0281 1.0380
Putrescine 0.9096 0.8031 1.2873
Pyracarbolid 0.7223 0.6987 1.5790
Pyridine 0.6504 0.9444 1.4052
Pyridoxal 0.6971 0.7238 1.5791
Pyrrolidine 1.1927 0.5886 1.2187
Quinaprilat 1.0923 0.9754 0.9323
Quinine 0.6476 0.9745 1.3779
Quinmerac 1.0475 0.9503 1.0022
Quinoline 1.4964 0.6479 0.8557
Quinone 1.0487 1.4427 0.5087
(R)-3-hydroxybutyrylcarnitine 1.5612 0.8357 0.6031
Ramelteon 1.1800 0.8396 0.9805
Ranitidine 1.0137 1.0499 0.9365
(R)-ar-Turmerone 0.8641 0.7679 1.3680
Reboxetine 0.8876 0.7211 1.3913
Rhapontigenin 0.9166 0.7662 1.3172
Riboflavin 1.0160 0.7967 1.1873
Rimantadine 1.1161 0.9206 0.9633
(R)-Sulcatol 0.8022 1.1151 1.0827
Rubemamine 0.3365 0.2828 2.3807
Rufloxacin 0.6785 0.5465 1.7749
(S)-(+)-2-Hydroxy-3-methylbutyric acid 1.0760 0.8959 1.0281
(S)-3-Octanol glucoside 0.8439 1.2168 0.9392
S-(5-Adenosy)-L-Homocysteine 0.8276 0.7400 1.4324
S-adenosylmethionine 0.7480 0.5528 1.6992
Salbutamol 1.2701 0.8501 0.8797
Salmeterol 0.9256 0.9963 1.0782
Sarmentosin epoxide 0.7671 1.0918 1.1411
Sarsasapogenin 0.3940 0.9424 1.6636
Schradan 0.4074 0.4460 2.1466
Scopoletin 1.0455 0.8706 1.0838
Sdccgsbi-0051046.P002 0.5178 0.5836 1.8985
Sebacic acid 0.9656 0.9745 1.0599
Secoisolariciresinol 1.1077 0.0810 1.8113
Selegiline 0.7891 0.9174 1.2935
Selenocysteine 0.7385 0.4878 1.7738
Selenomethionine 1.0226 1.0295 0.9479
Serotonin 0.7314 0.6774 1.5911
Sethoxydim 1.0276 0.5773 1.3951
Shikimic Acid 0.9163 0.7659 1.3178
Shogaol 0.5755 1.1765 1.2480
Simeconazole 1.0468 0.8713 1.0820
Sodium polystyrene sulfonate 0.9843 1.0917 0.9240
Solasodine 0.8553 0.8252 1.3195
Sotalol 1.4877 0.9380 0.5743
Spermidic acid 1.0262 1.0680 0.9058
Spermidine 0.8512 0.8289 1.3199
Spermine 0.8771 0.6048 1.5181
Sphinganine 0.9448 0.9667 1.0884
Sphinganine-1-phosphocholine 0.8534 1.1482 0.9984
Spirilloxanthin 0.9025 1.2116 0.8859
Stearoylcarnitine 0.8921 0.8045 1.3034
Stearoylethanolamide 1.0350 1.1212 0.8438
Stigmatellin Y 0.8065 1.4107 0.7828
Sulcotrione 1.0165 1.0868 0.8967
Sulforaphane 0.7911 1.5240 0.6849
Sulindac sulfide 0.5871 0.3009 2.1120
Sumiki^s acid 0.9645 0.8722 1.1633
Syringaldehyde 1.2900 0.9547 0.7552
Tagatose 0.4823 0.5090 2.0087
Talwin 1.0901 1.2414 0.6684
Tamoxifen 0.9076 1.3542 0.7382
Tamsulosin 0.9059 0.9472 1.1469
Tangeraxanthin 0.8289 0.9287 1.2423
Tau-fluvalinate 1.3010 0.7631 0.9359
Taurine 0.9675 1.2659 0.7666
Telmisartan 0.9608 0.8719 1.1673
Temozolomide 1.1429 0.9431 0.9139
Terbinafine 0.8980 0.9903 1.1116
Terbufos 0.9673 1.0038 1.0289
Terfenadine 0.7051 1.1467 1.1482
Tetradecanal 1.0027 0.7702 1.2271
Tetradecanoylcarnitine 0.9524 1.1298 0.9179
Tetraethylammonium 0.8810 0.9046 1.2145
Tetraethylene glycol 1.0268 0.9877 0.9855
Tetrahydropalmatine 0.6255 0.4398 1.9347
Tetramethylsilane 1.1047 0.8478 1.0475
Tetranor-12(S)-hete 0.8032 0.8219 1.3749
TG(10:0/10:0/10:0) 1.1662 1.0989 0.7349
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 0.7340 1.3454 0.9206
TG(8:0/8:0/8:0) 0.7739 0.2940 1.9321
Thermospermine 0.9028 0.7215 1.3757
Thiamine 0.8583 0.5839 1.5578
Thiethylperazine 1.3419 0.4868 1.1713
Thiodiglycol 1.0541 0.7199 1.2259
Thioetheramide PC 1.1626 0.9385 0.8989
Thiolutin 0.9668 1.0426 0.9906
Thioproperazine 1.0113 1.1395 0.8492
Thymine 1.0805 1.1388 0.7807
Thymoquinone 1.0121 0.9866 1.0012
Tiopronin 0.5555 1.4873 0.9572
Tizanidine hydrochloride 1.1864 1.3356 0.4780
Toluene 1.0121 1.0977 0.8902
Tosyl-L-lysine chloromethyl ketone 0.5329 0.9734 1.4937
trans-2-Octenoic acid 0.9517 0.9817 1.0665
trans-Sulindac 0.8900 0.3727 1.7373
Trans-Zeatin 1.0016 0.6375 1.3609
Trazodone 0.4066 0.3848 2.2086
Tridihexethyl 1.0214 1.4870 0.4916
Triethyl citrate 1.1142 0.8703 1.0155
Triethylene glycol monomethyl ether 1.0024 0.9255 1.0721
Triethylenetetramine 0.9270 0.6741 1.3989
TRIETHYL PHOSPHATE 0.9020 0.8635 1.2345
Trileucine 0.8528 0.7193 1.4279
TRIMETAZIDINE 0.6988 1.0804 1.2208
Trimethoprim 0.6419 0.3782 1.9798
Trimethylolpropane 1.1929 1.1218 0.6853
Trp-His 0.8420 0.7509 1.4071
Trp-Pro 0.8768 0.9092 1.2140
Trp-Trp 1.5825 0.8633 0.5543
Tsugaric acid A 21-glucosyl ester 0.3163 0.2956 2.3881
Tyramine 0.5509 0.5848 1.8643
Tyr-Cys 0.9176 0.4851 1.5974
Tyrosine methylester 0.9282 0.8001 1.2717
Tyrosyltyrosine 0.8736 0.3319 1.7945
Tyr-Phe 0.7568 0.8356 1.4076
Tyrphostin 23 1.4394 0.8443 0.7162
Umbelliferone 1.5755 0.3124 1.1121
Uracil 0.9550 0.9284 1.1165
Urate D-ribonucleotide 0.7379 0.6356 1.6265
Ureidosuccinic acid 1.0215 0.7712 1.2073
Ursolic acid 1.0089 1.3300 0.6611
Vaccinoside 1.0696 1.0471 0.8833
Valeryl-4-hydroxyvalsartan 0.9496 1.5141 0.5362
Valsartan 0.8386 0.7565 1.4049
Vanillic acid 1.0165 0.9446 1.0389
VERBENONE 0.9677 0.8733 1.1590
Vincamine 0.7937 0.7343 1.4720
Vitamin E 0.8383 1.2600 0.9017
Vitamin K 0.8260 1.2030 0.9710
Vomifoliol 1.1300 0.8862 0.9837
Voriconazole 0.9288 0.9400 1.1312
xi-3-Methyl-3-cyclohexen-1-ol 1.1984 0.9799 0.8217
xi-5-Dodecanolide 0.9665 1.0673 0.9662
xI-Dihydro-2-methyl-3(2H)-thiophenone 0.8338 1.6288 0.5374
xi-Dihydro-5-octyl-2(3H)-furanone 1.0509 0.8658 1.0833
Xylazine 0.7520 1.1106 1.1374
Yohimbine 0.7344 0.6872 1.5784
(Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide 0.7093 1.1292 1.1615
Zedoarondiol 0.9479 0.9309 1.1213
Zerumbone 1.1090 0.6381 1.2529
β-Alanine 0.9175 0.9419 1.1405
γ-Aminobutyric Acid 0.9410 1.2100 0.8490
δ-Valerolactam 0.8807 1.1165 1.0027
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Sample source:H9C2 cells | Genotype:HADHB-K292E
F2Sample source:H9C2 cells | Genotype:HADHB-K292R
F3Sample source:H9C2 cells | Genotype:Wild-type
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