Data for (Study ST001037)

(Analysis AN001698)

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

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MetaboliteF1F2
1-(2-(3-CYCLOHEXENYL)ETHYL)SILATRANE 1.1483 NA
12-HETE 1.3948 NA
1,3-Dimethyl-7,7-diphenyl-6-oxa-4-thia-2-azabicyclo[3.2.0]hept-2-ene 1.0173 NA
1,3-DIMETHYLCYCLOHEXANE 1.0276 NA
1,3-Dipentyl-heptabarbital 1.0651 NA
13-HpOTrE(r) 1.4482 NA
1,3-Methanopentalene, octahydro- 1.0000 NA
1,4-DIMETHYLCYCLOHEXANE 0.9257 NA
1,5-Anhydrohexitol 1.0000 NA
15-HETE 1.2424 NA
1,8-cis-Undecadien-5-yne 3,7-bis-trimethylsilyl ether 1.1389 NA
(19R)-9-acetyl-19-hydroxy-10,14-dimethyl-20-oxopentacyclo[11.8.0.0<2,10>.0<4,9 >.0<14,19>]henicos-17-yl acetate 1.3985 0.0637
1-Decylamine 1.1247 NA
1-ETHOXY-3-TRIMETHYLSILYL-2-PROPANONE 0.9827 NA
1-Heptene, 6-methyl- 0.8612 NA
1-Naphthylamine 1.0715 0.0051
1-NONENE 0.8524 NA
1-Octadecylamine 1.0381 0.0032
1-Piperidinecarboxaldehyde, 2-(1-formyl-2-pyrrolidinyl)- 1.0563 NA
20-HDoHE 1.1724 NA
2,2,4-Trimethyl-3-hexene 1.1692 NA
2,2,4-TRIMETHYLPENTANE 0.8134 NA
2,2,5-TRIMETHYLHEXANE 0.8666 0.0014
2,2-Dimethyl-3-heptene trans 0.9570 NA
2,3,4-TRIMETHYLPENTANE 1.0618 NA
2,3-Dimethyl-5,6-dihydro-1,4-oxathiine 1.0000 NA
2,3-DIMETHYLBUTANE 0.7597 0.0063
2,4-DIMETHYL-1-HEPTENE 1.0819 NA
2,4-DIMETHYLPENTANE 0.6738 0.0056
2,6-Bis(tert-butyl)phenol 0.9294 NA
2-[6-(diethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol 1.3682 NA
2-BUTOXY-N-(2-(DIETHYLAMINO)ETHYL)-3-PYRIDINECARBOXAMIDE 1.0374 NA
2H,8H-Benzo[1,2-b:3,4-b^]dipyran-6-propanol, 5-methoxy-2,2,8,8-tetramethyl-, acetate 1.0281 NA
2-Phenylaminoadenosine 1.1029 NA
3,3-Dimethylhexane 1.0860 0.0105
3,4-Methylenedioxymandelic acid 1.2523 NA
3-ETHOXY-1-PHENYL-1,5-HEXADIENE 1.0812 NA
3-Ethyl-3-methylheptane 0.7867 NA
3-ETHYLPENTANE 0.9695 0.0063
3-Nonanol 0.8720 NA
3-Phenoxybenzoic acid 1.0700 NA
4-Aminomethylcyclohexane carboxylic acid 0.9188 NA
4-Coumaroylcholine 1.0992 NA
4-Methoxy-2-allylphenol 1.0000 NA
4-Methoxy-3-indolylmethyl glucosinolate 1.3100 0.2762
4-METHYL-1-PENTENE 0.7568 NA
4-Octene, 2,3,6,7-tetramethyl- 0.9240 NA
4-Octene, 2,3,6-trimethyl- 0.9775 NA
4-Octene, 2,3,7-trimethyl-, [S-(E)]- 0.8535 NA
4-Piperidinecarboxamide 1.0905 NA
4-tert-Octylphenol 1.2628 0.0024
5-Aminovaleric acid 1.0029 NA
5-methoxypodophyllotoxin 1.1834 0.1531
5-Nonanol 0.9251 NA
5-Phosphorylribose 1-pyrophosphate 0.7603 NA
5-TERT-BUTYL-3,3-DIMETHYL-1-INDANONE 0.8681 NA
6-Methyl-2-(4-methylphenyl)-7-(3,4-dimethylphenylmethyl)indolizine 1.0559 NA
7-Methylguanosine 1.0015 0.1819
9,10-anthracenedione, 1-amino-4-[(4-methylphenyl)amino]- 1.0000 NA
Acid orange 7 (free acid) 1.0000 NA
Adenylosuccinate 1.5410 0.0050
Adiphenine 1.1448 NA
Ajmaline 1.1436 0.1331
Alanine 1.1761 NA
Alanine, N-trimethylsilyl-, trimethylsilyl ester 1.2624 NA
Alfentanil 1.2460 NA
Alfuzosin 0.5040 0.0591
Aliskiren 1.2226 0.0285
Allantoic acid 1.2121 NA
Allocryptopine 1.1975 NA
ALPHA-METHYLSTYRENE 1.0902 0.0073
Alpha-Tocopherol 1.0000 NA
Amisulpride 0.7095 NA
AMP 1.3409 NA
Ampicillin 1.1730 NA
Arginine 1.0000 NA
Atazanavir 1.1750 0.0010
Benthiavalicarb-isopropyl 1.2325 NA
Benzaldehyde, 2-ethyl- 0.3330 NA
Benzene, 1,3,5-trimethyl-2-(1,2-propadienyl)- 0.7695 NA
Benzene, 1-(5,5-dimethyl-1-cyclopenten-1-yl)-2-methoxy- 0.8965 NA
Benzenesulfonamide, N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-methoxy-3-methyl- 1.1126 NA
Benzoic Acid 1.1511 NA
Benzoic acid, 4-(4-butylcyclohexyl)-, 2,3-dicyano-4-ethoxyphenyl ester 0.7920 NA
benzoic acid, 4-ethenyl-, 4-[[(methylsulfonyl)amino]methyl]phenyl ester 0.3034 NA
Bergamottin 0.6902 NA
Bezafibrate 1.1643 NA
Bicalutamide 1.2252 NA
Biotin 1.2306 NA
BIS(2,2,6,6-TETRAMETHYL-4-PIPERIDINYL)SEBACATE 0.7276 NA
Blasticidin S 0.6896 NA
Butanal, O-methyloxime 1.2879 NA
Capecitabine 1.3788 0.0014
Carbachol 0.9738 NA
Cetirizine N-Oxide 1.2160 0.0775
Cholic acid 1.0545 0.9058
Cilastatin 1.3627 NA
Cimetidine 1.1162 0.0123
CIS-4-NONENE 1.0011 NA
Citric acid 1.0000 NA
Cortisone 1.7634 0.0081
Cyclobutanecarboxylic acid, 1-amino- 1.0000 NA
Cyclopentane, 1,1,3,4-tetramethyl-, cis- 0.9227 NA
Cystathionine 1.2121 NA
Cytosine arabinoside 1.0000 NA
D-Arabino-Hexonic acid 0.6627 NA
Decane, 3-ethyl-3-methyl- 0.7235 NA
Decanedioic acid, dibutyl ester 1.0213 NA
Diazinon 1.3309 0.0001
Dibucaine 0.3940 0.0860
Diclofenac 0.7175 NA
DICYCLOHEXYLAMINE 1.1952 NA
Dimefuron 1.1495 0.0338
Doxorubicin 0.8961 0.4464
Droperidol 1.4672 0.0094
Eicosan-1-ol 1.0942 NA
Eicosanoic acid 1.0000 NA
Eprosartan 0.9283 NA
Esculin 0.0760 0.0041
Ethenodeoxyadenosine 1.0309 NA
Ethylamine, N,N-dinonyl-2-(2-thiophenyl)- 0.7353 NA
ETHYL BENZOATE 0.7445 0.0051
ETHYLCYCLOHEXANE 0.7332 NA
Fluvastatin 0.9376 NA
Folic acid 1.4092 NA
Foramsulfuron 1.2202 NA
Formic acid 1.1277 NA
Furosemide 0.9534 0.1179
Galactofuranoside 1.0427 NA
Gallamine 0.1977 NA
Glucomalcomiin 1.1027 0.3581
Glucose 1.0000 NA
Glycocholate 1.3799 0.0311
Glycyrrhetinate 0.9619 0.0018
Guanosine 1.2901 0.0029
Haploperoside C Acetate 1.2838 NA
HENEICOSANOIC ACID TRIMETHYLSILYL ESTER 1.1909 NA
Heptadecanoic acid 1.2855 NA
Heptane, 4-methylene- 1.1609 0.0019
Hexadecanoic acid 1.4341 0.0008
Hexadecenoic acid 1.0756 NA
Histidine 1.0000 NA
Homoserine 1.0000 NA
Hydroxylamine 0.8286 NA
Ibuprofen 0.3279 0.0051
Iminostilbene 1.4652 0.0036
Indapamide 1.2489 0.0012
Inositol 1.0000 NA
Irbesartan 1.4039 0.0192
Isoleucine 1.0000 NA
Isomaltose 1.2961 NA
Isorhamnetin-3-O-rutinoside 1.2211 NA
Kinetin-9-riboside 1.0694 NA
Lactic acid 1.3790 NA
l-Alanine, N-ethoxycarbonyl-, undec-10-enyl ester 1.1658 NA
Leu-Leu-Tyr 0.9507 0.2163
Linoleic acid 1.1535 NA
Liquiritin 1.4254 0.0283
Lisinopril 1.0997 0.0028
l-Leucine, N-methyl-N-(2-methoxyethoxycarbonyl)-, tetradecyl ester 1.1402 NA
l-Norvaline, N-ethoxycarbonyl-, hexadecyl ester 1.0000 NA
Lysine 1.0000 NA
Lyxonic acid 0.9487 NA
Malaoxon 1.1659 0.0228
Man6GlcNAc-VI 1.2722 0.0049
Mesosulfuron-methyl 0.6251 0.3148
Mesotrione 0.3640 0.0017
Metergoline phenylmethyl ester 1.2807 0.0950
Methiocarb 1.0807 NA
Methotrexate 0.8715 NA
Methyl-Lyxofuranoside 1.0000 NA
Minocycline 0.4049 NA
N4-Acetylsulfadimethoxine 1.1281 0.0703
N4-Acetylsulfamethazine 0.0226 0.0003
N4-Anisoyl-2^-deoxycytidine 1.3748 0.0099
Na-Benzenolarginine ethylester 1.3786 NA
N-Acetylethylenediamine 0.9700 NA
NAD+ 1.3691 NA
Nafcillin 0.3933 0.0026
N-Allyladenosine 1.3331 NA
Naproxen 1.0000 NA
Ne-Acetyllysine 0.4947 NA
Neohesperidin dihydrochalcone 0.6483 NA
Nicosulfuron 1.4093 NA
N-METHYL-2-PYRROLIDONE 1.0588 NA
N,N^-DIMETHYL-2,2^-BIPYRROLIDINE 1.1220 0.2682
Nonadecanoic acid 1.0000 NA
Nonanoic acid 1.0275 NA
Norleucine 1.0000 NA
Norlidocaine 0.8199 NA
Novobiocin 1.3747 0.0002
OCTADECANOIC ACID TRIMETHYLSILYL ESTER 1.1914 NA
Octadecenoic acid_R1 1.1595 NA
Octadecenoic acid_R2 0.8276 NA
Octaethylene glycol 1.0656 NA
OCTANE 0.8875 0.0068
Olopatadine 1.0927 NA
Ornithine-1,5-lactam 1.0000 NA
Orotidine 5^-monophosphate 1.2641 0.3389
Oxazepam 1.1792 0.0035
Penicillamine 0.9231 NA
Perindopril 1.2770 NA
Phenylalanine 1.0640 NA
Phloridzin 1.1407 NA
Phosphatidylcholine 14:0-16:0 1.3888 0.0629
Phosphatidylcholine 15:0-16:0 1.2790 0.0073
Phosphatidylcholine 16:0-22:5 0.4057 NA
Phosphatidylcholine 18:0-20:0 / 16:0-22:0 1.1957 0.1314
Phosphatidylcholine 19:0-18:1 1.0121 NA
Phosphatidylcholine lyso 16:0 1.1618 0.0154
Phosphatidylcholine lyso 17:1 1.0000 NA
Phosphatidylcholine lyso 18:1 0.1009 0.5765
Phosphatidylcholine lyso 18:2 1.1966 0.1556
Phosphatidylcholine lyso 20:3 1.1145 NA
Phosphatidylethanolamine 18:1-18:1 1.2113 0.1102
Phosphatidylethanolamine alkenyl 18:0-22:1 1.0578 NA
Phosphatidylethanolamine lyso 20:1 0.8247 NA
Phosphonic acid 1.4796 0.0002
Phosphoramidon 1.0409 0.0800
Phthalic acid 1.0000 NA
Pioglitazone 1.3199 0.0818
Pipecolic acid, N-hexyloxycarbonyl-, heptadecyl ester 0.9242 NA
Piperacillin 0.9069 NA
Pirimicarb 1.0951 NA
Prazosin 1.1378 0.0353
Prednisolone 1.1911 NA
Procaine 1.1764 NA
Proline 1.0000 NA
Prometryn 1.2137 NA
Protopine 1.3130 NA
Puerarin 1.0751 0.0991
Pyridate 1.0589 0.0003
Pyridine, 2-hydroxy 1.0936 NA
Pyroglutamic acid 1.1117 NA
Ranitidine 0.7268 0.0023
Repaglinide 1.1677 NA
Rimsulfuron 1.1851 NA
Risperidone 1.3451 NA
Ritalinic acid 1.0000 NA
Ritonavir 0.7312 NA
Rubone 1.3245 0.0327
rubusoside 0.9079 NA
S-Adenosyl-L-homocysteine 0.9011 0.0133
S-Adenosylmethionine 1.1083 0.1583
Salicin 0.9478 0.0006
Serine 1.0927 NA
Sinapine 1.2788 0.0021
Sisomicin 1.3782 0.0049
Sissotrine 1.2011 0.1043
S-Lactoylglutathione 1.4235 0.0007
Sotalol 1.3774 0.0001
Spermine 1.1643 0.0079
Sphingomyelin d18:0-C18:0 1.2923 0.0289
Sphingomyelin d18:0-C23:0 1.1568 0.0922
Sucralose 1.3038 0.1333
Sulfentrazon 1.1873 0.1830
Sulfurous acid, 2-ethylhexyl hexyl ester 0.6761 NA
Sulpiride 1.4336 NA
Taurine 1.0000 NA
Tebufenozide 1.1049 NA
Tembotrione 0.8289 0.3107
Terbutaline 1.2034 0.4084
Terbutylazine 1.1399 NA
TERT-PENTYLBENZENE 1.1271 NA
Tetradecanoic acid 1.2247 NA
Thermopsoside, crotonoyl 1.1320 0.0009
Thiacloprid-amide 1.3892 0.0656
Thiamine 1.2420 NA
Thiamine monophosphate 1.4455 0.0144
Thifensulfuron-methyl 1.2578 0.0185
Thioinosinic acid 1.0403 0.0013
Threitol 1.0182 NA
Threonine 1.2336 NA
Thymidine 1.3748 0.0022
Tiapride 1.3227 0.1707
Timolol 1.0169 NA
trans-Zeatin 1.3784 NA
TRH 1.2690 NA
Trifloxystrobin 1.1770 NA
Triflumuron 0.2820 NA
Trifolirhizin 1.0791 NA
Trimethylsilyl 2,2-dimethyl-3,6,9,12,15,18,21,24-octaoxa-2-silahexacosan-26-oate 1.0000 NA
Trinexapac 1.2476 0.0003
Tritosulfuron 1.2539 0.0640
Tryptophan 1.1961 NA
Tylosin 0.8132 0.0066
UNDECANE 0.7996 0.0016
Urea 1.0666 NA
Uric acid 1.0000 NA
Valine 1.0000 NA
Verapamil 1.2904 NA
Z-Gly-Pro 0.9266 0.0266
Zopiclone 1.2298 NA
ZopicloneA^ 1.2225 NA
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Factors:

F1Description :Serum Sample
F2Description :Solvent
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