metabolite_name NH4OH EthAcet FA MeOH-H2O ACN-H2O Boric acid, 3TMS derivative 0 384617821 23321619 0 23321619 Lactic Acid, 2TMS derivative 21342253 0 135115766 228585341 155779670 Glycolic acid, 2TMS derivative 0 0 225444 266851 278303 1H-Azonine, octahydro-1-nitroso- 0 0 0 710926 998300 L-Valine, TMS derivative 0 0 2448318 1184688 1473123 Alanine, 2TMS derivative 0 0 4899056 1696802 2167166 Ethylene glycol, 2TMS derivative 0 0 0 0 3805783 Glycine, 2TMS derivative 0 0 2082755 1032492 1615541 3-Pyridinol, TMS derivative 0 0 730440 0 970561 Silane, [(1-methoxy-1,3-propanediyl)bis(oxy)]bis[trimethyl- 0 7024276 0 0 14886287 L-Leucine, TMS derivative 0 400788 11211540 5302656 4401764 4-Hydroxybutanoic acid, 2TMS derivative 0 0 0 0 596333 L-Proline, TMS derivative 0 0 4646866 0 2484408 L-Isoleucine, TMS derivative 0 664503 4412840 5206709 5495186 Trisiloxane, 1,1,1,5,5,5-hexamethyl-3,3-bis[(trimethylsilyl)oxy]- 0 0 3735642 4673349 2831229 N-Acetylaminoethanol, TMS derivative 0 0 0 0 1169597 L-Valine, 2TMS derivative 0 0 0 0 833561 Benzoic Acid, TMS derivative 0 0 0 0 357662 3-Ethyl-3-methylheptadecane 0 0 0 0 216819 Diethylene glycol, 2TMS derivative 0 0 879981 0 508831 4-Aminobutanoic acid, 3TMS derivative 0 0 0 0 15822091 Glycerol, 3TMS derivative 9011155 4358175 0 97130865 37655907 L-Threonine, 2TMS derivative 0 0 2599095 2599095 2587250 3-Aminoisobutyric acid, 3TMS derivative 0 992691 2686471 0 3447730 Butanedioic acid, 2TMS derivative 0 845520 4746815 4151836 4654901 Cyclohexasiloxane, dodecamethyl- 8928220 2261580 2425750 0 973227 2-Butenedioic acid, (E)-, 2TMS derivative 0 582703 1528801 1871099 2498902 Glyceric acid, 3TMS derivative 0 677598 1205776 862986 1261658 Myristic acid, TMS derivative 0 0 0 0 967775 Ethylphosphonic acid, 2TMS derivative 0 0 2199159 2564961 2825696 6-Dimethyl(trimethylsilyl)silyloxytetradecane 0 0 157392 0 578909 Thiodiglycol, 2TMS derivative 1784213 0 10610738 10115886 8177157 .beta.-Alanine, 3TMS derivative 0 0 0 0 1011004 L-Aspartic acid, 2TMS derivative 0 0 13323823 0 11095137 2,4'-Bipyridine 0 0 0 0 1093634 L-Hydroxyproline, (E)-, 2TMS derivative 0 0 8449003 0 5809140 Succinic acid, 3,5-difluorophenyl 2-(dimethylamino)ethyl ester 0 0 8494069 0 12240640 1-Hexanol, 5-methyl-2-(1-methylethyl)- 0 0 0 0 170485 Malic acid, 3TMS derivative 0 0 32721975 17389740 30825026 Pyroglutamic acid, TMS derivative 0 0 5508543 9582395 8720110 (2-Ethoxyethoxy)acetic acid, TMS derivative 0 0 3588884 0 3591291 L-5-Oxoproline, , 2TMS derivative 0 20064518 21049984 2630123 18654026 Acetoin, TMS derivative 0 0 0 0 2021585 DL-Phenylalanine, TMS derivative 0 0 7999166 0 2458644 2,3,4-Trihydroxybutyric acid tetrakis 0 0 4707336 5996779 6242033 Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester 0 0 734124 0 1354400 L-Proline, 2TMS derivative 0 0 1226575 0 1990273 Amphetamine, 2TMS derivative 0 0 0 0 1098751 Pimelic acid, 2TMS derivative 0 348700 0 0 546659 Triethanolamine, 3TMS derivative 0 0 13106735 12976871 10835385 Dodecanoic acid, TMS derivative 0 821367 0 0 2405771 2,2'-Sulfinyldiethanol, 2TMS derivative 0 0 0 985497 952592 Propanoic acid, 3-[methyl[2-oxo-2-[(trimethylsilyl)oxy]ethyl]amino]-3-oxo-, trimethylsilyl ester 0 0 0 985497 9441883 Levoglucosan, 3TMS derivative 0 0 2171042 0 2158786 Erythro-Pentonic acid, 2-deoxy-3,4,5-tris-O-(trimethylsilyl)-, trimethylsilyl ester 0 0 2934564 2455636 3302572 Nonadecane 0 0 0 727665 941706 Phosphoric acid, bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]propyl ester 0 1494950 24335810 11923779 18037128 Phosphorylethanolamine, 4TMS derivative 0 0 0 0 7396066 Citric acid, 4TMS derivative 0 0 8083869 0 6263400 D-(+)-Ribono-1,4-lactone, 3TMS derivative 0 0 0 60622872 62588114 Deoxyglucose, 4TMS derivative 0 0 0 0 26071453 Sulfurous acid, decyl 2-propyl ester 0 0 0 0 503838 .beta.-D-Galactofuranoside, ethyl 2,3,5,6-tetrakis-O-(trimethylsilyl)- 0 0 0 0 469232 D-Pinitol, pentakis(trimethylsilyl) ether 14634505 0 0 45401248 38510171 D-(-)-Tagatose, pentakis(trimethylsilyl) ether, methyloxime (anti) 0 0 0 0 3568082 Glucopyranose, 5TMS derivative 0 23.356 21798540 23.386 13472478 Pentadecanoic acid, TMS derivative 0 0 0 0 1278013 d-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1E)- 0 0 22356914 0 9635809 L-Tyrosine, 3TMS derivative 0 913608 0 0 2263508 d-Mannose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1E)- 3278546 0 0 0 3010342 Diisooctyl phthalate 0 0 0 0 4019977 Palmitic Acid, TMS derivative 48574221 21900783 172160405 390605918 306689365 D-Gluconic acid, 6TMS derivative 0 0 5370617 0 4991403 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-.beta.-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phospha 0 0 8018536 0 3972490 Scyllo-Inositol, 6TMS derivative 0 0 0 616640 1783065 Octadecane, 5-methyl- 0 0 0 0 1439130 Heptadecanoic acid, TMS derivative 0 0 8018536 0 932062 Octadecane-1,2-diol, 2TMS derivative 0 5427308 9552163 8676122 7414257 Cyclopentanemethanol, .alpha.-cyclohexyl-2-nitro- 0 0 0 0 1437515 2-Methyltetracosane 0 0 0 2711590 1089644 Spermine, 6TMS derivative 0 0 27.304 0 1872030 Heptadecyl acetate 4307192 0 0 14309998 4140022 9,12-Octadecadienoic acid (Z,Z)-, TMS derivative 0 0 21675714 20762372 20037127 Oleic Acid, (Z)-, TMS derivative 0 4107097 9953575 9608737 7384438 Stearic acid, TMS derivative 36067511 16141552 130881548 263133932 222010162 N,N-Dimethyldodecanamide 7140680 0 0 8369157 4800988 18-Methyl-nonadecanol, trimethylsilyl ether 0 0 0 385256 1002285 D-Galactofuranose, 1,2,3,5-tetrakis-O-(trimethylsilyl)-, bis(trimethylsilyl) phosphate 0 0 7305680 0 4247381 d-Glucose, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, o-methyloxime, 6-[bis(trimethylsilyl) phosphate] 0 0 2295652 0 2390988 1-Monomyristin, 2TMS derivative 0 0 20073580 16199139 14360122 Sebacic acid, 2TMS derivative 0 0 0 0 2221057 Octasiloxane, 1,1,3,3,5,5,7,7,9,9,11,11,13,13,15,15-hexadecamethyl- 15057648 3216188 10707270 12003544 5396325 Eicosanoic acid, TMS 0 0 0 0 6318356 Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-methyl- 53356073 0 0 11653162 1520808 Myo-Inositol, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-, bis(trimethylsilyl) phosphate 0 0 11647390 6007297 7284716 2-Methyl-6-tert-butylphenol, TMS derivative 108732894 0 61793387 95799753 56096509 benzene, 1,1'-methylenebis[3-(1,1-dimethylethyl)-5-methyl-4-[(trimethylsilyl)oxy]- 0 0 28567659 20333567 42673697 1-Monopalmitin, 2TMS derivative 0 430815 748222288 655278547 725688268 5-Methyluridine, 3TMS derivative 0 0 0 0 2665893 Adenosine, 4TMS derivative 0 0 2851465 0 10346826 Heptadecanoic acid, glycerine-(1)-monoester, bis-O-trimethylsilyl- 0 0 2675410 2047385 1889228 1,1,1,5,7,7,7-Heptamethyl-3,3-bis(trimethylsiloxy)tetrasiloxane 0 0 8216347 7121779 6856043 2-Monostearin, 2TMS derivative 0 0 3587058 2952262 1864294 Glycerol monostearate, 2TMS derivative 71396128 0 352315760 302379487 355277040 9-Octadecenamide, (Z)- 22103423 0 0 0 53146417 2,3-Dihydroxypropyl icosanoate, 2TMS derivative 0 0 4720541 3980275 3565644 Cholesterol, TMS derivative 17827559 70835367 3066638 12102866 8293218 Stigmasterol, TMS derivative 0 0 658466 800923 674722 Stigmast-5-ene, 3.beta.-(trimethylsiloxy)-, (24S)- 0 0 2194388 2708608 2036593 metabolite_name Pubchem_Derivative Pubchem ID Boric acid, 3TMS derivative 78020 7628 Lactic Acid, 2TMS derivative 519450 107689 Glycolic acid, 2TMS derivative 118503 757 1H-Azonine, octahydro-1-nitroso- 30361 13287582 L-Valine, TMS derivative 22211754 6287 Alanine, 2TMS derivative 11424808 5950 Ethylene glycol, 2TMS derivative 81858 174 Glycine, 2TMS derivative 530141 750 3-Pyridinol, TMS derivative 592532 7971 Silane, [(1-methoxy-1,3-propanediyl)bis(oxy)]bis[trimethyl- 553103 23953 L-Leucine, TMS derivative 12028662 6106 4-Hydroxybutanoic acid, 2TMS derivative 589994 7302 L-Proline, TMS derivative 13514636 145742 L-Isoleucine, TMS derivative 19003238 6306 Trisiloxane, 1,1,1,5,5,5-hexamethyl-3,3-bis[(trimethylsilyl)oxy]- 19086 17860093 N-Acetylaminoethanol, TMS derivative 15644713 14960462 L-Valine, 2TMS derivative 11108121 6287 Benzoic Acid, TMS derivative 74955 243 3-Ethyl-3-methylheptadecane 11536486 11536486 Diethylene glycol, 2TMS derivative 552860 8117 4-Aminobutanoic acid, 3TMS derivative 119 119 Glycerol, 3TMS derivative 522285 753 L-Threonine, 2TMS derivative 91696554 6288 3-Aminoisobutyric acid, 3TMS derivative 553272 64956 Butanedioic acid, 2TMS derivative 520988 1110 Cyclohexasiloxane, dodecamethyl- 10911 9903713 2-Butenedioic acid, (E)-, 2TMS derivative 5353016 444266 Glyceric acid, 3TMS derivative 520886 439194 Myristic acid, TMS derivative 519592 11005 Ethylphosphonic acid, 2TMS derivative 519266 204482 6-Dimethyl(trimethylsilyl)silyloxytetradecane 590061 590061 Thiodiglycol, 2TMS derivative 519784 5447 .beta.-Alanine, 3TMS derivative 521597 239 L-Aspartic acid, 2TMS derivative 85830684 5960 2,4'-Bipyridine 68488 68488 L-Hydroxyproline, (E)-, 2TMS derivative 594032 5810 Succinic acid, 3,5-difluorophenyl 2-(dimethylamino)ethyl ester 91693828 1110 1-Hexanol, 5-methyl-2-(1-methylethyl)- 96291 8103 Malic acid, 3TMS derivative 522155 525 Pyroglutamic acid, TMS derivative 14038131 7405 (2-Ethoxyethoxy)acetic acid, TMS derivative 552152 192850 L-5-Oxoproline, , 2TMS derivative 7405 7405 Acetoin, TMS derivative 12739199 179 DL-Phenylalanine, TMS derivative 577739 994 2,3,4-Trihydroxybutyric acid tetrakis 439535 439535 Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester 521646 743 L-Proline, 2TMS derivative 522501 145742 Amphetamine, 2TMS derivative 604670 3007 Pimelic acid, 2TMS derivative 521645 385 Triethanolamine, 3TMS derivative 123394 7618 Dodecanoic acid, TMS derivative 521640 3893 2,2'-Sulfinyldiethanol, 2TMS derivative 552844 18330 Propanoic acid, 3-[methyl[2-oxo-2-[(trimethylsilyl)oxy]ethyl]amino]-3-oxo-, trimethylsilyl ester 552467 1032 Levoglucosan, 3TMS derivative 91696777 2724705 Erythro-Pentonic acid, 2-deoxy-3,4,5-tris-O-(trimethylsilyl)-, trimethylsilyl ester 528638 90658608 Nonadecane 12401 12401 Phosphoric acid, bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]propyl ester 553774 1004 Phosphorylethanolamine, 4TMS derivative 553761 1015 Citric acid, 4TMS derivative 553132 311 D-(+)-Ribono-1,4-lactone, 3TMS derivative 111064 111064 Deoxyglucose, 4TMS derivative 553409 108223 Sulfurous acid, decyl 2-propyl ester 6420364 1100 .beta.-D-Galactofuranoside, ethyl 2,3,5,6-tetrakis-O-(trimethylsilyl)- 553474 22215147 D-Pinitol, pentakis(trimethylsilyl) ether 14534973 164619 D-(-)-Tagatose, pentakis(trimethylsilyl) ether, methyloxime (anti) 519639 92092 Pentadecanoic acid, TMS derivative 523679 13849 d-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1E)- 522260 522260 L-Tyrosine, 3TMS derivative 14189425 6057 d-Mannose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1E)- 629230 5378916 Diisooctyl phthalate 33934 33934 Glucopyranose, 5TMS derivative 13587619 5793 Palmitic Acid, TMS derivative 521638 985 D-Gluconic acid, 6TMS derivative 520681 10690 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-.beta.-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phospha 91696709 68401 Scyllo-Inositol, 6TMS derivative 520232 892 Octadecane, 5-methyl- 520183 11635 Heptadecanoic acid, TMS derivative 521635 10465 Octadecane-1,2-diol, 2TMS derivative 91742674 89314 Cyclopentanemethanol, .alpha.-cyclohexyl-2-nitro- 565562 77195 2-Methyltetracosane 527459 527459 Spermine, 6TMS derivative 599851 1103 Heptadecyl acetate 69967 69967 9,12-Octadecadienoic acid (Z,Z)-, TMS derivative 5352430 5379173 Oleic Acid, (Z)-, TMS derivative 5366433 445639 Stearic acid, TMS derivative 87777 5281 N,N-Dimethyldodecanamide 18159 18159 18-Methyl-nonadecanol, trimethylsilyl ether 91743660 91743660 D-Galactofuranose, 1,2,3,5-tetrakis-O-(trimethylsilyl)-, bis(trimethylsilyl) phosphate 553776 553776 d-Glucose, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, o-methyloxime, 6-[bis(trimethylsilyl) phosphate] 90473467 90473467 1-Monomyristin, 2TMS derivative 631192 79050 Sebacic acid, 2TMS derivative 519558 5192 Octasiloxane, 1,1,3,3,5,5,7,7,9,9,11,11,13,13,15,15-hexadecamethyl- 6329087 6329087 Eicosanoic acid, TMS 521648 10467 Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-methyl- 8398 8398 Myo-Inositol, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-, bis(trimethylsilyl) phosphate 553143 553143 2-Methyl-6-tert-butylphenol, TMS derivative 91696816 16678 benzene, 1,1'-methylenebis[3-(1,1-dimethylethyl)-5-methyl-4-[(trimethylsilyl)oxy]- 91697106 91697106 1-Monopalmitin, 2TMS derivative 552033 3084463 5-Methyluridine, 3TMS derivative 524921 445408 Adenosine, 4TMS derivative 14216913 60961 Heptadecanoic acid, glycerine-(1)-monoester, bis-O-trimethylsilyl- 633500 633500 1,1,1,5,7,7,7-Heptamethyl-3,3-bis(trimethylsiloxy)tetrasiloxane 6329081 6329081 2-Monostearin, 2TMS derivative 582132 79075 Glycerol monostearate, 2TMS derivative 553936 79075 9-Octadecenamide, (Z)- 5283387 5283387 2,3-Dihydroxypropyl icosanoate, 2TMS derivative 537899 3246944 Cholesterol, TMS derivative 102173 11025495 Stigmasterol, TMS derivative 91698162 5280794 Stigmast-5-ene, 3.beta.-(trimethylsiloxy)-, (24S)- 91714198 21771614