Data for (Study ST003302)

(Analysis AN005409)

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
10-HYDROXYDECANOIC ACID 0.9560 0.8902 0.8794
10-UNDECYNOIC ACID 1.2182 1.2703 1.1944
11-DEHYDROCORTICOSTERONE 0.0016 4.4140 0.5072
11-DEOXYCORTISOL 0.0597 4.0953 0.5063
1,1-DIMETHYLPYRROLIDIN-1-IUM-2-CARBOXYLATE 0.0937 3.3446 1.4576
11-HYDROXY-UNDECANOIC ACID 0.7452 2.1273 1.3148
1,2,3,3-TETRAMETHYLNORBORNAN-2-OL 0.7902 2.9999 0.6105
1,2,3-TRIETHYL 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLATE 0.5800 3.1258 0.3449
12-(CYCLOHEXYLCARBAMOYLAMINO)LAURIC ACID 0.1215 4.0714 0.5223
1,2-DIETHYL BENZENE-1,2-DICARBOXYLATE 0.0205 0.0777 4.8358
1,2-DIHYDROXYHEPTADEC-16-YN-4-YL ACETATE 1.1364 2.4489 0.3033
1-(2-HYDROXY-4,5-DIMETHYL-PHENYL)ETHANONE 0.0089 4.3969 0.5789
1-[(2R,4S,5R)-4-FLUORO-5-METHYLOL-TETRAHYDROFURAN-2-YL]PYRIMIDINE-2,4-QUINONE 0.0796 3.9271 0.9276
1-[(2R,5R)-5-(HYDROXYMETHYL)-3,4-BIS(OXIDANYL)OXOLAN-2-YL]PYRIMIDINE-2,4-DIONE 0.0004 4.7120 0.2868
1,3,3A,4,5,6,7,8,9,10,11,12,13,13A-TETRADECAHYDROCYCLODODECA[C]FURAN 0.2452 4.0351 0.5459
1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE 0.3761 3.7570 0.6545
1-(4-AMINOPHENYL)ETHANONE 0.2108 1.2418 3.0641
1-[4-(DIMETHYLAMINO)PHENYL]ETHANOL 0.0017 3.0741 0.7478
14-HYDROXY-TETRADECANOIC ACID 0.9704 2.1598 1.0318
17ALPHA-HYDROXYPREGNENOLONE 0.3015 4.0413 0.4044
(1AS,2S,6AS,7S,7AR)-3,3,6A,7A-TETRAMETHYL-7-METHYLOL-2,2A,4,5,6,7-HEXAHYDRO-1AH-NAPHTHO[2,3-B]OXIREN-2-OL 0.1721 3.3408 1.3498
1-CYCLOHEXYL-3-(2-PHENYLETHYL)UREA 0.0769 4.1413 0.6811
1-DIPHENYLPHOSPHORYLCYCLOBUTANECARBOXYLIC ACID 0.0009 4.6461 0.3510
1-HEXADECANOYL-RAC-GLYCEROL 0.9621 0.8273 0.9304
1H-INDOLE-2,3-DIOL 0.0063 3.9515 1.0348
1-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID 0.0004 4.4274 0.5708
1-(P-TOLYL)CYCLOPROPANECARBOXYLIC ACID 0.8229 1.1034 0.9947
[(1R,2R)-3-OXO-2-PENTYLCYCLOPENTYL]ACETIC ACID 0.2689 3.3893 0.4317
(1R,2S)-3-OXO-2-(2^Z-PENTENYL)-CYCLOPENTANEACETIC ACID 0.0132 0.0198 2.1462
(1R,3AR,8S,8AS)-1-ISOPROPYL-3A,6-DIMETHYL-2,3,4,7,8,8A-HEXAHYDROAZULENE-1,8-DIOL 0.1862 3.7613 0.6940
(1R,3AS,3BR,5AS,9AS,9BS,11AS)-1-HYDROXY-1,9A,11A-TRIMETHYL-2,3,3A,3B,4,5,5A,6,9,9B,10,11-DODECAHYDROINDEN[4,5-H]ISOCHROMEN-7-ONE 0.1851 3.2260 0.9430
(1R,3R,4R,4AS,8AS)-4-HYDROXY-3,4A,8,8-TETRAMETHYL-4-[2-(5-OXO-2,5-DIHYDROFURAN-3-YL)ETHYL]DECAHYDRONAPHTHALEN-1-YL ACETATE 1.1757 0.8103 1.4153
(1R,4AR)-6-HYDROXY-7-ISOPROPYL-1,4A-DIMETHYL-2,3,4,4B,5,6,10,10A-OCTAHYDROPHENANTHRENE-1-CARBOXYLIC ACID 0.1751 1.6303 1.0122
(1R,4AS,10AR)-7-(1-HYDROXY-1-METHYL-ETHYL)-9-KETO-1,4A-DIMETHYL-3,4,10,10A-TETRAHYDRO-2H-PHENANTHRENE-1-CARBOXYLIC ACID 0.2708 3.3462 0.7443
(1R,4S,5S,6R,9R)-5,6-DIHYDROXY-4,11,11-TRIMETHYL-8-METHYLENE-BICYCLO[7.2.0]UNDECAN-3-ONE 0.3593 2.1973 1.5960
(1R,6S,11AS,13S,14AR)-1,13-DIHYDROXY-6-METHYL-1H,4H,6H,7H,8H,9H,11AH,12H,13H,14H,14AH-CYCLOPENTA[F]OXACYCLOTRIDECAN-4-ONE 0.0745 4.1668 0.5622
(1S,2R,10R,11S,14R,15S)-14-HYDROXY-14-[(1S)-1-HYDROXYETHYL]-2,15-DIMETHYLTETRACYCLO[8.7.0.0^{2,7}.0^{11,15}]HEPTADEC-6-EN-5-ONE 0.0587 3.6930 1.1941
[(1S)-5-METHYL-1-(4-METHYLPENT-3-ENYL)-2-OXABICYCLO[2.2.2]OCTAN-4-YL]METHANOL 0.0162 4.4435 0.4985
(1S,6S,8R,11R)-2,6,9-TRIMETHYL-6-METHYLOL-TRICYCLO[5.4.0.02,9]UNDECANE-8,11-DIOL 0.8172 0.7261 0.8179
2-(1,2-DIHYDROXYETHYL)-3,4-DIHYDROXY-2H-FURAN-5-ONE 0.0000 1.7033 3.2966
2-({1-[3-(TRIFLUOROMETHYL)PHENYL]PROPAN-2-YL}AMINO)ETHYL BENZOATE 0.0126 4.3738 0.5562
2-(14-METHYLPENTADECANOYLAMINO)-3-PHENYL-PROPIONIC ACID 0.0004 4.4342 0.5641
21-DEOXYCORTISOL 0.0056 4.2876 0.6967
2-(1-HYDROXY-1-METHYL-ETHYL)-4A,8-DIMETHYL-DECALIN-1,5-DIOL 0.0162 4.4436 0.4984
2-[(1R,4S,5R,7R,8S,10S)-4-HYDROXY-5,10-DIMETHYL-11-OXATRICYCLO[6.2.1.01,5]UNDECAN-7-YL]ACRYLIC ACID 0.9305 0.7875 0.9447
2-[(1S,2R,6S,7R)-3,5-DIKETO-4-AZATRICYCLO[5.2.1.02,6]DECAN-4-YL]PROPIONIC ACID 0.0354 4.4372 0.4435
2-[2-(1H-INDOL-3-YL)ACETAMIDO]ACETIC ACID 0.0194 4.1028 0.8396
2-[[2-(1H-INDOL-3-YL)ACETYL]AMINO]PROPIONIC ACID 0.1169 3.6388 1.1470
2-[2-(2-BUTOXYETHOXY)ETHOXY]ETHANOL 0.7707 1.2119 0.8399
2,2,4,4,6,6,8,8,10,10,12,12-DODECAMETHYL-1,3,5,7,9,11-HEXAOXA-2,4,6,8,10,12-HEXASILACYCLODODECANE 0.5614 0.6315 0.6792
2,2,4,4,6,6,8,8-OCTAMETHYL-1,3,5,7,2,4,6,8-TETRAOXATETRASILOCANE 0.4218 0.4362 0.4266
2,2,4,4,6,6-HEXAMETHYL-1,3,5,2,4,6-TRIOXATRISILINANE 0.5350 0.7793 0.7002
2-(2,5-DIMETHOXY-4-PROPYL-PHENYL)ETHYLAMINE 0.1675 3.9181 0.5703
2-(2,6-DIMETHYLPHENOXY)ACETIC ACID ETHYL ESTER 0.0827 4.4052 0.4446
2-(2-AMINO-3-METHYLBUTANAMIDO)-3-PHENYLPROPANOIC ACID 0.0006 4.4369 0.5569
2-[(2-AMINO-6-OXO-6,9-DIHYDRO-3H-PURIN-9-YL)METHOXY]-3-HYDROXYPROPYL (2S)-2-AMINO-3-METHYLBUTANOATE 0.0034 4.3071 0.6788
2-[(2-AMMONIOACETYL)AMINO]HEXANOATE 0.0012 4.3672 0.6276
2-(2-BUTOXYETHOXY)ACETIC ACID 0.8915 0.8601 0.8711
2-(2-METHYLCOUMARAN-5-YL)ACETIC ACID 0.1064 2.8153 1.8056
2-[(2-OXOINDOL-3-YL)AMINO]ISOINDOLE-1,3-DIONE 0.3213 4.2376 0.4054
2-[(2-PHENOXYACETYL)AMINO]ACETIC ACID 0.5164 2.0592 0.6947
2-[(2R)-2-HYDROXYCYCLOHEXYL]ACETIC ACID 0.2558 2.4625 1.7213
2,3,4,5-TETRAHYDRO-1H-2-BENZAZEPINE 0.0048 2.9542 1.9373
2,3-DIHYDROXYPROPYL (9E)-OCTADEC-9-ENOATE 0.9218 0.7789 0.9621
2-[4-(2-METHYLPROPYL)PHENYL]PROPANOIC ACID 0.2506 0.7269 1.6471
2,4,6-TRIMETHYL-N-[2-(TRIFLUOROMETHYL)PHENYL]BENZENESULFONAMIDE 0.2176 1.6088 1.9440
2-[4-(AMINOMETHYL)PHENYL]ACETIC ACID 0.6525 0.6549 0.6015
2,4-DIHYDROXYHEPTADEC-16-YN-1-YL ACETATE 1.0491 0.8569 0.9409
2,4-DITERT-BUTYL-6-[(DIMETHYLAMINO)METHYL]PHENOL 0.0008 4.5348 0.4628
2,5,8,11,14-PENTAOXAPENTADECANE 0.0402 4.3545 0.5648
2,5,8,11-TETRAOXATRIDECAN-13-OL 0.3880 2.5599 0.1301
2-[[5-AMINO-1-[3,4-DIHYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]IMIDAZOLE-4-CARBONYL]AMINO]BUTANEDIOIC ACID 0.0105 3.5814 1.3866
2,5-DITERT-BUTYL-P-BENZOQUINONE 0.9538 1.0329 1.2659
2,5-HEXANEDIONE 1.1556 1.1031 1.5219
2,6-DIAMINO-4-(PIPERIDIN-1-YL)PYRIMIDIN-1-IUM-1-OLATE 1.2814 1.1311 1.1927
2,6-DITERT-BUTYL-4-(MORPHOLINOMETHYL)PHENOL 0.0758 4.4036 0.4470
2-(7-HYDROXY-6-METHYL-OCTYL)-2H-FURAN-5-ONE 0.1587 2.8216 1.0005
2-(7-KETO-6-METHYL-OCTYL)-2H-FURAN-5-ONE 0.2712 3.3557 0.6656
2-ACETAMIDOPROPIONIC ACID 0.1447 3.4472 0.7926
2-(ACETYLAMMONIO)-4-METHYL-VALERATE 0.0792 3.0048 0.6315
2-AMINO-2-(P-TOLYL)ACETIC ACID 0.4955 0.2083 3.8878
2-AMINO-3-(1H-INDOL-3-YL)PROPANOIC ACID 0.0009 4.4560 0.5406
2-AMINO-4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID 0.0184 4.3850 0.5533
(2-AMINO-6-CHLORO-PYRIMIDIN-4-YL)-(4-METHYLBENZYL)AMINE 0.0527 4.0420 0.8251
2-AMINO-9-[(2S,5S)-3,4-DIHYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL]-7-METHYL-PURIN-9-IUM-6-OLATE 0.0006 4.1435 0.8544
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPOXY]PHOSPHINIC ACID 0.9319 0.7476 0.9256
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-4-YL)PROPANOATE 0.0023 4.1183 0.8761
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-5-YL)PROPANOATE 0.0025 4.3851 0.6101
2-(BENZOYLOXY)PROPYL BENZOATE 0.5010 2.7368 0.7150
(2-COUMARAN-5-YL-1-METHYL-ETHYL)-METHYL-AMINE 1.4911 1.2562 1.4817
2-CYCLOHEXYL-2-OXIDANYL-2-PHENYL-ETHANOIC ACID 0.2946 3.4263 0.5590
2-(DIBENZYLCARBAMOYL)BENZOIC ACID 0.0002 4.1776 0.8217
2-(DIMETHYLAMINO)BENZALDEHYDE 0.0037 0.2566 4.5290
2-DIPHENYLPHOSPHORYLHYDROQUINONE 0.0030 4.5706 0.4167
2-DIPHENYLPHOSPHORYL-N-ETHYL-ACETAMIDE 0.0006 4.4388 0.5599
(2E)-1-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUT-2-EN-1-ONE 1.1617 0.7701 0.8008
(2E)-1-(2,6-DIHYDROXY-4-METHOXYPHENYL)-3-PHENYLPROP-2-EN-1-ONE 0.0014 4.4257 0.5707
(2E)-3-[(4S,7R,7AR)-3,7-DIMETHYL-2,4,5,6,7,7A-HEXAHYDRO-1H-INDEN-4-YL]-2-METHYLPROP-2-ENOIC ACID 0.0258 4.3439 0.5577
(2E,6E,10Z)-12-HYDROXY-6-METHYL-10-METHYLOL-2-(4-METHYLPENT-3-ENYL)DODECA-2,6,10-TRIENOIC ACID 0.5510 3.3143 0.7019
2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID 0.4722 3.4239 0.9111
2-HYDROXY-5^-KETO-1^,4,4^A-TRIMETHYL-4-VINYL-SPIRO[CYCLOPENTANE-1,6^-DECALIN]-1^-CARBOXYLIC ACID 1.1819 0.7915 0.7965
2-HYDROXYCINNAMIC ACID 0.0109 4.3182 0.6581
2-HYDROXYPHENETHYLAMINE 0.0292 3.7890 1.1249
2-ISOTHIOCYANATOBENZOIC ACID METHYL ESTER 0.0022 4.5874 0.3956
2-(ISOVALERYLAMINO)-3-METHYL-BUTYRIC ACID 0.0001 4.3478 0.6490
2-METHYLACRYLIC ACID [(1R,3R,4S,6S,8R,9R,10S,11S)-8-HYDROXY-7,13-DIKETO-9-METHACRYLOYLOXY-3,8-DIMETHYL-12-METHYLENE-5,14-DIOXATRICYCLO[9.3.0.04,6]TETRADECAN-10-YL] ESTER 0.0322 4.3187 0.5857
2-(METHYLTHIO)-1-PHENYL-ETHANONE 0.6591 1.4412 0.6591
2-OCT-7-ENYLGLUTARIC ACID 0.7203 0.8897 0.7765
2-(O-TOLYL)AZEPANE 0.0277 3.9506 0.9703
2-PROP-2-YNYLOCTANOIC ACID 0.8527 0.9247 1.1769
(2R)-2-[[(2S)-2-AMINOPROPANOYL]AMINO]-3-PHENYL-PROPIONIC ACID 0.0066 4.7918 0.1888
(2R)-2-(3-ACETAMIDOPROPANAMIDO)-3-(1H-IMIDAZOL-5-YL)PROPANOIC ACID 0.0009 4.6165 0.3810
(2R)-2-AMINOBUTANEDIOIC ACID 0.0063 2.1952 2.7911
(2R,3R,4S,5S,6R)-2-[3-(4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEXEN-1-YL)-1-METHYL-PROPOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL 1.1922 1.3040 0.8081
[(2R,3R,5R)-5-ADENIN-9-YL-4-HYDROXY-2-METHYLOL-TETRAHYDROFURAN-3-YL] DIHYDROGEN PHOSPHATE 0.0940 3.8856 0.6508
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXYMETHYL]-6-(1H-INDOL-3-YLOXY)TETRAHYDROPYRAN-3,4,5-TRIOL 0.0731 4.1477 0.6858
(2R,3S,4S,5S,6R)-2-[7-HYDROXY-4-[(Z)-5-HYDROXY-3-METHYL-PENT-3-ENYL]-4A,8,8-TRIMETHYL-3-METHYLENE-DECALIN-2-YL]OXY-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL 1.4417 0.2960 1.7489
(2S)-2-[[(2R)-5-KETOPROLYL]AMINO]-3-METHYL-BUTYRIC ACID 0.1776 3.7574 0.7714
(2S)-2-({9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-[(PHOSPHONOOXY)METHYL]OXOLAN-2-YL]-9H-PURIN-6-YL}AMINO)BUTANEDIOIC ACID 0.0041 4.4934 0.4957
(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPIONIC ACID TERT-BUTYL ESTER 0.5111 2.4479 1.0269
(2S)-2-AMMONIO-3-(4-TERT-BUTOXYPHENYL)PROPIONATE 0.4658 0.3088 3.6502
(2S)-2-HYDROXY-2-PHENYLPROPANOIC ACID 0.0086 4.2735 0.6675
(2S,3R,4S,5R)-2-ADENIN-9-YL-5-METHYLOL-TETRAHYDROFURAN-3,4-DIOL 0.0005 4.1223 0.8765
(2S,3R)-5-KETO-4-METHYLENE-2-OCTYL-TETRAHYDROFURAN-3-CARBOXYLIC ACID 0.9492 0.9370 0.9178
(2S)-4-AMINO-2-HYDROXY-BUTYRIC ACID 0.1201 3.6443 1.1843
(2S)-4-CARBAMOYL-2-ACETAMIDOBUTANOIC ACID 0.0006 1.3954 3.5958
(2S)-6-AMINO-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]HEXANOIC ACID 1.1051 1.3678 2.4910
(2-TRANS,6-TRANS)-FARNESAL 0.2774 4.0306 0.3361
(2Z,4E)-5-(1-HYDROXY-2,6,6-TRIMETHYL-4-OXOCYCLOHEX-2-EN-1-YL)-3-METHYLPENTA-2,4-DIENOIC ACID 0.8168 0.6893 0.6520
3-[(2,4-DIHYDROXY-3,3-DIMETHYL-BUTANOYL)AMINO]PROPANOIC ACID 0.0010 4.3566 0.6347
3-(2-HYDROXYPHENYL)PROPANOIC ACID 0.0739 4.2300 0.6617
3,3-DIMETHYL-2-PYRROLIDONE 0.4416 3.3075 0.6457
3,3-DIPHENYLBENZO[F]CHROMENE 0.4517 0.5006 2.9807
3-[4-[2-[4-[2,3-BIS(OXIDANYL)PROPOXY]PHENYL]PROPAN-2-YL]PHENOXY]PROPANE-1,2-DIOL 0.0033 4.5026 0.4829
3,4,5-TRIHYDROXYBENZOIC ACID [3,4,5-TRIHYDROXY-6-[3-(4-KETO-2,6,6-TRIMETHYL-CYCLOHEX-2-EN-1-YL)-1-METHYL-PROPOXY]TETRAHYDROPYRAN-2-YL]METHYL ESTER 0.3523 2.9978 0.9227
3,4-DIHYDROISOCARBOSTYRIL 0.0085 4.3697 0.5970
3,4-DIMETHYLBENZALDEHYDE 0.0019 3.7346 1.2461
3,4-DIMETHYLBESYLIC ACID 0.0048 2.9542 1.9373
3-(4-PIPERIDYL)PROPIONIC ACID ETHYL ESTER 0.0044 4.4519 0.4735
3-(7-METHYLOCTYL)-3,6-DIHYDRO-1H-FURO[3,4-C]FURAN-4-ONE 0.3084 2.1539 0.9580
3ALPHA,11BETA-DIHYDROXY-5BETA-ANDROSTANE-17-ONE 0.4368 2.6592 0.8050
3-AMINO-2-METHYL-N-THIAZOL-2-YL-BENZAMIDE 0.0010 4.5706 0.4265
3-AMINO-4-(4-HYDROXYPHENYL)BUTYRIC ACID 0.0002 4.2600 0.6869
(3AR,4R,5R,6AS)-5-HYDROXY-4-[(1E,3S)-3-HYDROXYOCT-1-EN-1-YL]-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE 0.8479 1.0556 0.7764
(3AR,5AS,9AS,9BR)-3A,6,6,9A-TETRAMETHYL-1,4,5,5A,7,8,9,9B-OCTAHYDROBENZO[E]BENZOFURAN-2-ONE 0.7647 2.2653 1.0971
3-AZANYL-5-(MORPHOLIN-4-YLMETHYL)-1,3-OXAZOLIDIN-2-ONE 0.0001 2.9677 2.0243
3-BENZAMIDO-2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER 0.0064 2.3596 1.2135
3BETA-ALLOTETRAHYDROCORTISOL 0.0046 4.4408 0.5456
3-DIPHENYLPHOSPHORYLPROPIONIC ACID 0.0564 4.7402 0.1940
3-[(E)-2-NITROPROP-1-ENYL]-1H-INDOLE 0.0052 4.4028 0.5861
(3E,5S)-3-[[(1S,2R,4AS,6R,8AR)-1,6-DIMETHYL-2-[(E)-PROP-1-ENYL]-4A,5,6,7,8,8A-HEXAHYDRO-2H-NAPHTHALEN-1-YL]-HYDROXY-METHYLENE]-1-METHYL-5-METHYLOL-PYRROLIDINE-2,4-QUINONE 0.0254 4.3957 0.5333
3-[(E)-PROP-1-ENYL]GLUTARIC ACID 0.0871 3.6918 0.6424
3-ETHENYL-3,4A,7,7,10A-PENTAMETHYL-2,5,6,6A,8,9,10,10B-OCTAHYDRO-1H-BENZO[F]CHROMEN-8-OL 0.2796 3.2293 1.1597
3-HEPTYL-3,6-DIHYDRO-1H-FURO[3,4-C]FURAN-4-ONE 0.0172 4.4057 0.5535
3-HYDROXYADAMANTANE-1-CARBOXYLIC ACID 1.1154 0.7126 0.9105
3-HYDROXYQUINUCLIDINE-3-CARBONITRILE 1.4651 3.0126 0.4833
3-METHOXYCYCLOHEXANECARBOXYLIC ACID 0.1183 0.2223 3.9534
3-METHYL-1-PHENYL-PENT-1-YN-3-OL 0.0013 4.2196 0.7769
3-METHYL-6-(PROPAN-2-YL)CYCLOHEX-2-EN-1-ONE 0.0083 4.9741 0.0044
3-METHYL-6-SEC-BUTYL-PIPERAZINE-2,5-QUINONE 0.0841 3.6975 0.7342
3-METHYLBUTYRIC ACID [(1S,6S,7R)-6-ACETOXY-1-ISOVALERYLOXY-SPIRO[4A,5,6,7A-TETRAHYDRO-1H-CYCLOPENTA[C]PYRAN-7,2^-OXIRANE]-4-YL]METHYL ESTER 0.0444 4.2601 0.5815
3-METHYLCYCLOPENTADECAN-1-ONE 0.1500 1.0948 0.4889
3-METHYLDIOXYINDOLE 0.0282 4.0998 0.8236
3-METHYL-HEXANEDIOIC ACID 0.4215 3.7134 0.6901
3-MORPHOLINO-N-PHENYL-PROPIONAMIDE 0.1535 4.1300 0.5777
3-[N-(2-HYDROXYETHYL)ANILINO]PROPIONITRILE 0.0010 4.5706 0.4265
3-PHENYL-3-[(2-PHENYLACETYL)AMINO]PROPIONIC ACID 0.1031 3.8504 0.8425
3-PYRIDIN-1-IUM-3-YLPROPIONATE 0.0001 4.6195 0.3790
(3R)-3-[(2-METHYLPROPANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE 0.0102 4.2171 0.7470
(3R)-3-[(4-CARBOXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE 0.0025 4.0217 0.8913
(3R)-3-[(5-CARBOXYPENTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE 0.0007 4.5413 0.4566
(3R)-3-(ACETYLOXY)-4-(TRIMETHYLAZANIUMYL)BUTANOATE 0.0010 3.4091 1.5833
(3R,5R,6S,7S,9R,11E,13S,14R)-6-[(3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-14-ETHYL-13-HYDROXY-3,5,7,9,13-PENTAMETHYL-1-OXACYCLOTETRADEC-11-ENE-2,4,10-TRIONE 0.0010 4.9958 0.0010
(3R,5R,8R,9S,10S,13S,14S,17S)-10,13,17-TRIMETHYL-1,2,3,4,5,6,7,8,9,11,12,14,15,16-TETRADECAHYDROCYCLOPENTA[A]PHENANTHRENE-3,17-DIOL 0.5561 1.4459 0.6516
(3R,5S,8R,9R,10S,13S,14S,17S)-17-ETHYL-13-METHYL-2,3,4,5,6,7,8,9,10,11,12,14,15,16-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIOL 0.0251 4.2701 0.6401
(3R,9R)-1,7-DIAZATRICYCLO[7.3.0.03,7]DODECANE-2,8-QUINONE 0.0021 4.2271 0.7617
(3S)-3-[(1S,4R)-4-METHYL-1-(2-METHYLPROPANOYL)-3-OXOCYCLOHEXYL]BUTANOIC ACID 0.1669 4.0182 0.4968
(3S)-3-METHYL-OXACYCLOTETRADECAN-2-ONE 1.0264 1.3198 1.0136
(3S,4R,4AS,8AS)-4-[2-(FURAN-3-YL)ETHYL]-4-HYDROXY-3,4A,8,8-TETRAMETHYL-1,3,5,6,7,8A-HEXAHYDRONAPHTHALEN-2-ONE 0.0376 4.3718 0.4760
(3S,5S,8R,9R,10S,13S,14S)-3-HYDROXY-13-METHYL-2,3,4,5,6,7,8,9,10,11,12,14,15,16-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-ONE 1.1706 1.9752 1.3517
(3S,5S,8R,9S,10S,13S,14S)-3-HYDROXY-10,13-DIMETHYL-1-METHYLENE-3,4,5,6,7,8,9,11,12,14,15,16-DODECAHYDRO-2H-CYCLOPENTA[A]PHENANTHREN-17-ONE 0.6331 2.5021 0.9519
(3S,8R,9S,10R,13S,14S)-3-HYDROXY-10,13-DIMETHYL-1,2,3,4,7,8,9,11,12,14-DECAHYDROCYCLOPENTA[A]PHENANTHREN-17-ONE 0.6300 0.5189 0.6335
3-SEC-BUTYL-2,3,6,7,8,8A-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-QUINONE 0.0295 4.2727 0.5987
4-(1-HYDROXY-1-METHYL-ETHYL)-1,6-DIMETHYL-DECALIN-1,5-DIOL 0.0332 4.2626 0.6216
4-{1-HYDROXY-2-[(PROPAN-2-YL)AMINO]ETHYL}BENZENE-1,2-DIOL 1.4115 0.8209 0.3520
4-[2-[(1R,4AS,5R,8AS)-6-HYDROXY-5,8A-DIMETHYL-2-METHYLENE-5-METHYLOL-DECALIN-1-YL]ETHYL]-2H-FURAN-5-ONE 0.5123 2.2815 0.4891
4-(3,12,14-TRIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-17-YL)-5H-FURAN-2-ONE 0.5640 3.0729 1.1683
4,4,7A-TRIMETHYL-3A,5,6,7-TETRAHYDRO-3H-INDENE-1-CARBOXYLIC ACID 1.2937 0.6591 1.2293
4,4-DIMETHYLCYCLOHEXANE-1,3-QUINONE 0.4771 1.1757 0.8711
4-ACETAMIDOBUTANOIC ACID 0.0686 3.7835 0.7870
4-AMINO-1-[(2S,4S,5R)-4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL]-5-METHYL-PYRIMIDIN-2-ONE 0.0068 4.7821 0.2026
4-AMINO-1-[(2S,4S,5R)-4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL]PYRIMIDIN-2-ONE 0.0001 4.0526 0.9472
[4-(AMINOMETHYL)PHENYL]METHANOL 0.0003 4.4324 0.5654
4-(BROMOMETHYL)BENZOIC ACID METHYL ESTER 3.0316 1.8415 0.0347
4-CHLORO-2-NITRO-N-(P-TOLYL)BENZAMIDE 0.0020 0.0622 4.9312
[4-(DIMETHYLAMINO)-2-METHYL-PHENYL]PHOSPHINIC ACID 0.0016 0.0585 4.8988
4-[(E)-5-HYDROXY-3-METHYLPENT-3-ENYL]-3,5,5-TRIMETHYL-1-CYCLOHEX-2-ENONE 1.2176 1.2158 1.0230
(4-HYDROXY-1-METHYL-4-PHENYL-3-PIPERIDYL)-PHENYL-METHANONE 0.4123 3.7582 0.7962
4-HYDROXY-2,6,6,10,14-PENTAMETHYL-11,13-DIOXATETRACYCLO[8.8.0.02,7.012,17]OCTADECA-4,12(17)-DIENE-3,16-QUINONE 0.9253 0.8636 0.9276
4-HYDROXY-L-GLUTAMIC ACID 0.0935 2.0740 2.6286
4-ISOPROPYLCYCLOHEXANECARBOXYLIC ACID 0.1773 0.3053 2.5940
4-KETOPIMELIC ACID 0.1514 3.9362 0.8778
4-METHOXYBENZOIC ACID [(1S,3R,3AS,4S,8AR)-1,3-DIHYDROXY-3-ISOPROPYL-6,8A-DIMETHYL-1,2,3A,4,5,8-HEXAHYDROAZULEN-4-YL] ESTER 0.0395 4.1595 0.6133
4-METHOXY-N^-(2-PHENYLACETYL)BENZOHYDRAZIDE 0.0030 0.0788 4.8707
4-METHYLBENZAMIDE 0.7154 3.1989 0.5431
4-(PHENYLAMINO)PHENOL 0.0050 4.4588 0.5264
4-[(PHENYLTHIO)METHYL]BENZOIC ACID 0.3960 1.4344 0.3914
4-(PROP-1-EN-2-YL)CYCLOHEX-1-ENE-1-CARBALDEHYDE 0.4816 1.8766 0.8803
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]VALERIC ACID METHYL ESTER 0.1175 0.0105 0.0184
(4R)-4-[(3R,5S,9S,10S,12S,13R,14S,17R)-3,12-DIHYDROXY-7-KETO-10,13-DIMETHYL-1,2,3,4,5,6,8,9,11,12,14,15,16,17-TETRADECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL]VALERIC ACID 0.6191 3.1033 0.9749
(4R)-4-[(E)-4-HYDROXY-3-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-BUT-1-ENYL]-3,5,5-TRIMETHYL-CYCLOHEX-2-EN-1-ONE 0.3035 3.2571 0.1196
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-PHENYLETHYL]CARBAMOYL}BUTANOIC ACID 0.0061 4.4932 0.4887
(4S,5R,6R,7S,8R)-4,6,7,8,9-PENTAHYDROXY-5-[(1-HYDROXYETHYLIDENE)AMINO]-2-OXONONANOIC ACID 0.0016 2.8670 2.1177
5-[2-(3-FURYL)ETHYL]-5,6-DIMETHYL-8A-METHYLOL-3,4,4A,6,7,8-HEXAHYDRONAPHTHALENE-1-CARBOXYLIC ACID 0.5785 2.9231 0.6178
5-[4-[(E)-3-CARBOXY-3-HYDROXYPROP-1-ENYL]-4-HYDROXY-3,3,5-TRIMETHYLCYCLOHEXYL]OXY-3-HYDROXY-3-METHYL-5-OXOPENTANOIC ACID 0.1889 3.5628 0.5530
5ALPHA-ANDROSTANE-3BETA,6ALPHA,17BETA-TRIOL 0.6519 1.7825 1.5280
5.ALPHA.-PREGNAN-3.ALPHA.,17-DIOL-20-ONE 3-SULFATE 1.1702 1.2411 1.2341
5-(BENZYLAMINO)-3H-1,3,4-THIADIAZOLE-2-THIONE 0.6283 0.4333 0.9975
5BETA-ANDROSTANE-3BETA,17BETA-DIOL 1.0015 0.8760 0.9114
5BETA-DIHYDROTESTOSTERONE 0.2704 1.6382 2.3699
5-DIPHENYLPHOSPHORYLVALERIC ACID 0.0020 4.6015 0.3913
5-[(E)-3-HYDROXY-3-METHYL-BUT-1-ENYL]-2-METHYL-CYCLOHEX-5-ENE-1,2,4-TRIOL 0.4810 0.9891 1.5764
(5E)-5-(3-HYDROXYBENZYLIDENE)-2-THIOXO-THIAZOLIDIN-4-ONE 0.0038 4.3204 0.6584
(5E)-7-ISOPROPYL-4,10-DIMETHYLENE-CYCLODEC-5-EN-1-OL 0.2881 4.1873 0.1550
(5E,9E)-6,10,14-TRIMETHYLPENTADECA-5,9,13-TRIEN-2-ONE 0.4102 2.3518 0.8470
5-ETHENYL-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDIN-1-ONE 0.0055 4.2655 0.7093
5-HYDROXYINDOLEACETIC ACID 0.0022 4.2985 0.6956
5^-METHYLTHIOADENOSINE 0.0058 4.8272 0.1547
5-PHENYLOXAZOLIDIN-2-ONE 0.0281 4.1002 0.8225
5-PROPYLOXOLAN-2-ONE 0.4133 3.6360 0.5149
(5S,6R,7E,9E,11Z,14Z)-6-[[2-[(4-AMINO-4-CARBOXY-BUTANOYL)AMINO]-3-(CARBOXYMETHYLAMINO)-3-KETO-PROPYL]THIO]-5-HYDROXY-EICOSA-7,9,11,14-TETRAENOIC ACID 1.2585 1.1029 1.0497
(5S,8R,9S,10S,13S,14S)-10,13-DIMETHYL-1,4,5,6,7,8,9,11,12,14,15,16-DODECAHYDROCYCLOPENTA[A]PHENANTHREN-17-ONE 0.0020 4.4841 0.5111
6-ACETOXY-5-BENZOYLOXY-7-METHYL-1-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-1,4A,5,6,7,7A-HEXAHYDROCYCLOPENTA[C]PYRAN-4-CARBOXYLIC ACID 0.4326 1.4748 2.5744
6-AMINO-1-BENZYL-PYRIMIDINE-2,4-QUINONE 0.4803 0.7789 1.5865
(6E)-2,6,10-TRIMETHYLDODECA-6,11-DIENE-2,3,10-TRIOL 0.2774 4.0306 0.3361
6-HEPTYLOXAN-2-ONE 1.0706 1.4906 0.9143
6-HEXYLOXAN-2-ONE 0.8684 2.7174 0.9376
6-HYDROXY-2H-CHROMEN-2-ONE 0.0196 4.4053 0.5491
6-METHOXY-1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID 0.0038 4.6360 0.3535
6-METHYLOXAN-2-ONE 1.3139 2.5079 0.4970
6-OXO-OCTADECANOIC ACID 0.3872 0.0202 0.3767
6-PHENYLTHIOMORPHOLIN-3-ONE 0.0004 4.4342 0.5641
(6R)-2-AMINO-6-[(1R,2S)-1,2-DIHYDROXYPROPYL]-3,4,5,6,7,8-HEXAHYDROPTERIDIN-4-ONE 0.0025 4.0046 0.9868
(6R,8R,9S,10R,13S,14S,17S)-6,17-DIHYDROXY-10,13-DIMETHYL-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA[A]PHENANTHREN-3-ONE 0.2858 3.6779 0.8146
(6S)-2-METHYL-6-(4-METHYLPHENYL)HEPT-2-EN-4-ONE 0.0202 4.4496 0.4698
(6Z,9Z,12Z)-OCTADECA-6,9,12-TRIENOIC ACID METHYL ESTER 0.9323 0.8337 0.9477
7A,17-DIMETHYL-5B-ANDROSTANE-3A,17B-DIOL 0.1733 4.1642 0.5801
7B-HYDROXYDEHYDROEPIANDROSTERONE 0.7660 0.9596 1.0558
7-ISOPROPYL-9-KETO-1,4A-DIMETHYL-3,4,10,10A-TETRAHYDRO-2H-PHENANTHRENE-1-CARBOXYLIC ACID 0.1468 3.8859 0.6237
7-OXABICYCLO[4.1.0]HEPTANE-3-CARBOXYLIC ACID 7-OXABICYCLO[4.1.0]HEPTAN-3-YLMETHYL ESTER 0.0007 4.3760 0.6224
8-(3-OCTYLOXIRAN-2-YL)OCTANOIC ACID 0.3872 0.0202 0.3767
8-[(E)-3-HYDROXYBUT-1-ENYL]-1,5-DIMETHYL-6-OXABICYCLO[3.2.1]OCTANE-3,8-DIOL 0.1652 2.4951 0.1414
8-HYDROXY-8-(3-OCTYLOXIRAN-2-YL)CAPRYLIC ACID 0.6046 0.6474 0.6239
8-ISOPROPYL-4,11-DIMETHYL-5,12-DIOXATRICYCLO[9.1.0.04,6]DODECAN-7-OL 0.0822 3.4289 1.3851
(9E,11Z)-8-HYDROXYOCTADECA-9,11-DIENOIC ACID 1.7580 0.1417 0.0812
9-HYDROXY-7-ISOPROPYL-1,4A-DIMETHYL-2,3,4,9,10,10A-HEXAHYDROPHENANTHRENE-1-CARBOXYLIC ACID 0.2914 2.8077 0.6508
9-OXOODE 0.0550 1.2157 0.1189
(9R,10S)-9,10,16-TRIHYDROXYPALMITIC ACID 0.4634 0.1504 0.1834
(9Z,12Z)-OCTADECA-9,12-DIEN-1-OL 0.3641 1.2001 0.5360
(9Z,14Z)-12,13,16-TRIHYDROXYOCTADECA-9,14-DIENOIC ACID METHYL ESTER 0.1733 4.1643 0.5800
ACEXAMIC ACID 0.0168 3.9583 1.0020
ACTARIT 0.0010 4.5706 0.4265
ADIPIC ACID BIS(7-METHYLOCTYL) ESTER 0.2622 1.1223 0.2605
ADIPIC ACID DIHEXYL ESTER 0.0107 4.0125 0.9432
ALPHA-IONONE 0.9750 0.8790 0.7693
APHIDICOLIN 0.1927 2.9276 1.0112
ASPIRIN 0.0256 0.0859 4.7132
ATRACTYLENOLIDE III 1.9038 1.3384 0.1555
BENZOIC ACID [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,9,12-TRIACETOXY-1,15-DIHYDROXY-11-KETO-10,14,17,17-TETRAMETHYL-6-OXATETRACYCLO[11.3.1.03,10.04,7]HEPTADEC-13-EN-2-YL] ESTER 0.0001 4.5466 0.4532
BENZOIC ACID (5-BENZOYLOXY-3-CHLORO-4,6-DIHYDROXY-CYCLOHEXEN-1-YL)METHYL ESTER 0.3474 0.5337 3.2004
BENZYL BUTYL PHTHALATE 0.8503 0.8494 0.8459
BIS(2,6-DIMETHYLHEPTAN-4-YL) BENZENE-1,2-DICARBOXYLATE 0.8020 0.7226 0.8289
BISABOLOL OXIDE A 0.5265 2.8073 0.6463
CAR(3:0) 0.0041 4.4442 0.5408
CAR(4:0(3ME)) 0.0067 4.3846 0.5656
CAR(8:0) 0.0026 4.4924 0.4807
CARNITINE 0.0042 2.8831 2.0834
CARNOSINE 0.0009 4.6161 0.3813
CIS-JASMONE 0.1869 4.1142 0.4920
CIS-VACCENIC ACID 0.2919 0.6169 1.1144
CORTICOSTERONE 0.0056 4.2877 0.6966
CREATINE 0.0033 4.4710 0.5227
CYTARABINE 0.0131 4.1185 0.8619
CYTOSINE 0.0017 2.1485 2.8451
DECAHYDRO-2-NAPHTHALENECARBOXYLIC ACID 1.4235 0.3260 0.6504
DECAMETHYL-1,3,5,7,9,2,4,6,8,10-PENTAOXAPENTASILECANE 0.5434 0.5221 0.6039
DEOXYADENOSINE 0.0027 4.4254 0.5604
DEOXYURIDINE 0.0003 4.7472 0.2519
DEXAMETHASONE 0.0221 0.0756 4.8442
D-GLUTAMINE 0.0051 1.8666 3.0400
DIBUTYL PHTHALATE 0.8915 0.9816 0.8873
DIETHYLHEXYL ADIPATE 0.8379 0.6794 0.8094
DIMETHYL ADIPATE 0.0735 4.2107 0.5496
DIMETHYLARGININE 0.0000 3.9868 1.0049
DIMETHYL PHTHALATE 2.3199 0.6653 0.2967
DOPA 0.0001 4.3497 0.6500
(E)-3,10-DIHYDROXY-4,9-DIMETHYL-DODEC-6-ENEDIOIC ACID 0.3460 4.1256 0.4481
(E)-3-[(1R,4S,7R,7AR)-1-HYDROXY-3,7-DIMETHYL-2,4,5,6,7,7A-HEXAHYDRO-1H-INDEN-4-YL]-2-METHYLPROP-2-ENOIC ACID 0.0329 4.4552 0.4641
(E)-3-(2,4-DIMETHYLPHENYL)ACRYLIC ACID 0.8032 1.1699 0.9825
(E)-3-(5-ISOPROPYL-3-KETO-4,5,6,7-TETRAHYDRO-1H-ISOBENZOFURAN-4-YL)-2-METHYLOL-ACRYLIC ACID 0.4331 0.7756 1.4942
(E)-3-PHENYLACRYLIC ACID [(1R,2R,3S,4R,6E,10S)-2-HYDROXY-3-ISOPROPYL-6,10-DIMETHYL-11-OXABICYCLO[8.1.0]UNDEC-6-EN-4-YL] ESTER 1.4171 0.5248 0.5487
(E)-4-ANILINO-4-KETO-BUT-2-ENOIC ACID 0.0101 4.2908 0.5979
(E)-4-HYDROXYNON-2-ENOIC ACID 0.1157 3.8419 0.6400
(E)-4-KETOPENT-2-ENOIC ACID METHYL ESTER 0.2153 1.1092 3.6509
(E)-5-(3,3-DIMETHYLNORBORNAN-2-YL)PENT-3-EN-2-ONE 0.4900 1.8588 0.4195
(E)-7-[(5S,6R)-5-[(E,3S)-3-HYDROXYOCT-1-ENYL]-2-OXABICYCLO[2.2.1]HEPTAN-6-YL]HEPT-5-ENOIC ACID 0.5732 2.4994 1.4429
ECDYSONE 0.9461 0.9596 0.8248
EMPENTHRIN 0.5138 3.1704 0.3463
ERYTHRONO-1,4-LACTONE 0.0263 4.8798 0.0625
ETHYL (2E,4E,7S)-3,7,11-TRIMETHYLDODECA-2,4-DIENOATE 2.9329 0.1611 1.1979
ETHYL 3-PHENYLPROPANOATE 0.9092 2.8286 0.7492
ETHYL N-ACETYL-L-TYROSINATE 0.0002 4.2602 0.6867
ETIOCHOLANOLONE 0.1427 2.2386 1.5070
FASCICULIC ACID B 0.5701 1.0115 1.3348
GAMMA-GLUTAMYLGLUTAMINE 0.0034 3.1373 1.7949
GAMMA-LINOLENOYL-EA 0.3649 1.3545 0.4778
(+)-GARCINIA ACID 0.0029 4.9637 0.0301
GLABRIDIN 0.3778 3.8198 0.4147
GLUCOSAN 1.1711 1.6859 1.3609
GLUTAMIC ACID 0.0078 1.5010 3.4651
GUANOSINE 0.0010 4.3216 0.6755
HEXADEC-15-YNOIC ACID 0.7177 0.5638 0.4228
HEXAETHYLENE GLYCOL 0.4846 2.5161 0.7465
HIPPURIC ACID 0.0221 4.3190 0.5997
HYPOXANTHINE 0.0003 4.0034 0.9893
INDOLEACETIC ACID 0.1277 3.8593 0.6527
INDOLINE-4-CARBOXYLIC ACID METHYL ESTER 0.0055 4.2661 0.7087
INOSINE 0.0007 4.1358 0.8623
JUNIPERIC ACID 0.0136 4.3024 0.6537
KYNURAMINE 0.0085 4.3697 0.5970
L-ARABITOL 0.0900 3.7014 1.1087
LEUCINE 0.0002 4.3246 0.6710
L-GAMMA-GLUTAMYL-S-[(5S,6R,7E,9E,11Z,14Z)-5-HYDROXY-1-METHOXY-1-OXOICOSA-7,9,11,14-TETRAEN-6-YL]-L-CYSTEINYLGLYCINE 0.7541 2.1048 0.8052
L-HISTIDYL-L-PROLINE 0.1479 2.8579 0.6930
L-LEUCYL-L-PROLINE 0.0199 4.3757 0.5475
LOLIOLIDE 0.0099 4.3070 0.6093
L-PROLYL-L-GLUTAMINE 0.0046 1.8668 3.0403
MCULE-6080310100 0.4534 3.3582 0.5610
METHIONINE 0.0001 4.2606 0.7392
METHYL (9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOATE 0.4728 1.2575 0.6678
METHYL 9Z-HEXADECENOATE 2.8984 0.2633 1.0965
METHYL 9Z-TETRADECENOATE 1.0329 0.7992 1.2331
MYRISTOLEIC ACID 0.3923 1.0810 0.3011
N-(1-ADAMANTYL)-1-AMYL-INDOLE-3-CARBOXAMIDE 0.2803 0.2181 0.2499
N-(1-ADAMANTYL)QUINOXALINE-2-CARBOXAMIDE 0.0049 4.5832 0.3942
N-(1-BENZYL-2-HYDROXY-ETHYL)BENZAMIDE 0.0495 3.6374 0.9443
N-(1-METHYL-2-PHENYL-ETHYL)ACETAMIDE 0.3671 1.8877 1.1765
N-[2-(1H-INDOL-3-YL)ETHYL]NICOTINAMIDE 0.0074 4.4061 0.5541
N-(2,5-DIMETHYLPHENYL)-2-ETHYL-HEXANAMIDE 1.2568 0.9994 2.7425
N-(2,6-DIMETHYLPHENYL)-4-METHOXY-BENZAMIDE 0.0219 0.0725 4.8139
N-(4-ACETYLPHENYL)-4-METHYL-BENZAMIDE 0.0439 3.9716 0.9553
N-(4-ANILINOPHENYL)-4-METHYL-BENZENESULFONAMIDE 0.0108 3.9563 1.0027
N-[[4-(TRIFLUOROMETHYL)PHENYL]THIOCARBAMOYL]BENZAMIDE 0.0094 1.4672 0.3108
N6-CARBAMOYL-L-THREONYLADENOSINE 0.0024 4.4300 0.5619
N-ACETYLASPARAGINE 1.0278 0.8961 0.8961
N-ACETYLASPARTIC ACID 0.0004 3.0153 1.9776
N-ACETYL-BETA-ALANINE 0.1516 4.2972 0.0189
N-ACETYLGLUTAMIC ACID 0.0156 1.6272 3.2883
N-ACETYLORNITHINE 0.0079 3.8625 1.1117
N-ACETYLPHENYLALANINE 0.0245 4.3299 0.5608
N-ACETYLTHREONINE 0.1250 3.2891 1.4074
N-ACETYLTYROSINE 0.0067 4.3312 0.6450
N-BUTYLBENZENESULFONAMIDE 1.3363 1.3534 0.4743
NICOTINAMIDE RIBOSIDE 0.0468 4.0376 0.8880
~{N}-METHYLOLNICOTINAMIDE 0.0202 4.0485 0.9104
N,N-BIS(PHENYLMETHYL)-N^-PROP-2-ENYLCARBAMIMIDOTHIOIC ACID 4.3743 0.0073 0.0502
N,N-DIBENZYLACETAMIDE 0.0003 4.3388 0.6581
N-(O-CUMENYLTHIOCARBAMOYL)BENZAMIDE 0.0098 0.3620 0.3251
N-PHENYLBENZENE-1,4-DIAMINE 0.0049 4.2165 0.7701
N-(PROPYLTHIOCARBAMOYL)BENZAMIDE 0.0087 1.3694 0.6233
N-THIOCARBAMOYLBENZAMIDE 0.0091 0.4537 0.6990
O-SEMIDINE 0.0000 4.3684 0.6309
OXYBENZONE 0.0116 1.5835 3.3819
PALMITELAIDIC ACID 1.4068 0.7980 0.9495
PENTAETHYLENE GLYCOL 0.4305 2.6917 0.7958
PGD1 0.3840 2.3150 1.9419
PHENACYL(TRIPHENYL)PHOSPHONIUM 0.0002 4.5617 0.4379
PHENYLACETALDEHYDE 0.0037 4.4444 0.5490
PHENYLALANINE 0.0006 4.4382 0.5556
PHOSPHORIC ACID 2.7095 0.1818 2.1033
PROGESTERONE 0.1016 3.9534 0.8551
PRO PHE 0.0027 4.4813 0.5084
PSEUDOURIDINE 0.0009 4.9983 0.0004
PYRIDOXAL 0.0203 4.2220 0.6951
PYRIDOXAL 5^-PHOSPHATE 0.0114 4.2308 0.7440
QUINOLIN-4-OL 0.0576 4.2450 0.5760
QUINOLIN-5-OL 0.0734 4.0023 0.7928
SEBACIC ACID DIMETHYL ESTER 0.4131 2.8880 0.6111
TAUROCHOLIC ACID 0.1996 0.1074 0.2126
TERT-BUTYL 2-OXOPIPERIDINE-1-CARBOXYLATE 0.0316 4.0681 0.8175
TETRAETHYLENE GLYCOL 0.4179 2.1465 0.5565
THIAMINE 0.0018 0.6406 4.3559
THYMIDINE 0.0007 4.7584 0.2395
TRANS-TRANS-MUCONIC ACID 4.6958 0.2566 0.0445
TRAUMATIC ACID 0.5234 0.8320 2.1001
TRENBOLONE 1.1245 1.0976 1.0686
TRIDECANEDIOIC ACID 0.3241 3.4258 0.7041
TRIGONELLINE 0.4600 2.7132 1.4603
TRIPHENYL PHOSPHATE 0.6827 1.8258 0.8173
TRIS(2-BUTOXYETHYL) PHOSPHATE 0.4676 2.2718 0.6366
TRIS(2-CHLOROETHYL) PHOSPHATE 0.2227 3.4839 0.7056
TYROSINE 0.0022 4.2978 0.6957
UREIDOPROPIONIC ACID 0.1254 4.0096 0.8607
URIC ACID 0.0027 2.9781 2.0183
VANILLIN 0.1923 3.9761 0.6905
XANTHINE 0.0001 4.1612 0.8385
XANTHOSINE 0.0001 4.1623 0.8375
XANTHURENIC ACID 0.0121 4.0659 0.9054
(Z)-2-METHYLBUT-2-ENOIC ACID [4,5-DIHYDROXY-2-[(4-HYDROXY-7-ISOPROPYL-1,4A-DIMETHYL-2,3,4,5,8,8A-HEXAHYDRONAPHTHALEN-1-YL)OXY]-6-METHYL-TETRAHYDROPYRAN-3-YL] ESTER 0.0081 4.2484 0.7204
(Z)-2-METHYLBUT-2-ENOIC ACID [(4R,6R)-6-ISOVALERYLOXY-11-KETO-3,3,7,9-TETRAMETHYL-4-TRICYCLO[5.4.0.02,8]UNDEC-9-ENYL] ESTER 0.3025 1.8990 1.0441
(Z)-2-OCT-7-ENYLPENT-2-ENEDIOIC ACID 0.8262 0.9531 0.8282
(Z)-2-OCTYLPENT-2-ENEDIOIC ACID 0.0149 4.3906 0.5527
(Z)-7-[(1S,2R,3R)-2-[(E,3S)-4-CYCLOHEXYL-3-HYDROXY-BUT-1-ENYL]-3-HYDROXY-5-KETO-CYCLOPENTYL]HEPT-5-ENOIC ACID 0.0341 4.8444 0.1011
(Z)-7-[(1S,2S,3S,5R)-3-[(4-IODOPHENYL)SULFONYLAMINO]-6,6-DIMETHYL-NORPINAN-2-YL]HEPT-5-ENOIC ACID 0.2540 1.5002 0.0436
(Z)-LIGUSTILIDE 0.8648 0.9620 1.0945
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Sample type:aCSF | Dialysate concentration:N/A
F2Sample type:Dialysate | Dialysate concentration:10x
F3Sample type:Dialysate | Dialysate concentration:1x
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