metabolite_name 210514_IJ1colmo_1.cdf 210514_IJ2colmo_1.cdf 210514_IJ3colmo_1.cdf 210514_IJ4colmo_1.cdf 210514_IJ5colmo_1.cdf 210514_IJ6colmo_1.cdf 20210513_ColmIM1_1.cdf 20210513_ColmIM2_1_1.cdf 20210513_ColmIM3_1.cdf 20210513_ColmIM4_1.cdf 20210513_ColmIM5_1.cdf 20210513_ColmIM6_1.cdf β-Sitosterol trimethylsilyl ether 0.807588917 0.459023766 0.902992137 0.764491337 0.800048614 NA NA NA NA NA NA NA L-Valine, N-(trimethylsilyl)-, trimethylsilyl ester 0.243264451 1.168240031 0.096797867 0.672792887 0.363177735 0.482940855 0.125485757 2.147433119 0.370523944 0.794396784 0.104593743 NA Butanoic acid, 4-[(trimethylsilyl)oxy]-, trimethylsilyl ester 0.413766106 0.315482968 0.137496983 0.471004681 0.297188482 0.411261185 0.456690443 0.398500994 0.39896865 0.262208152 0.340261953 NA Cyclopentene-3-carboxylic acid, 1-(trimethylsilyl)oxy-, methyl ester NA 0.530326869 NA 0.693049352 0.186331022 0.464684499 NA NA NA NA NA NA L-Isoleucine, N-(trimethylsilyl)-, trimethylsilyl ester NA 0.412618873 NA 0.059063485 0.042607682 0.14332277 0.078989405 0.606917961 0.171632827 0.209140674 0.031459222 NA Butanoic acid, 4-[bis(trimethylsilyl)amino]-, trimethylsilyl ester 0.20686714 0.304443712 0.035482176 0.510370555 0.267561145 0.519892859 0.349063728 0.10692833 0.600328888 0.773346768 0.170425303 NA Cadaverine, N,N,N',N'-tetrakis(trimethylsilyl) NA NA NA NA NA NA 0.058247762 NA 0.051193128 0.064464848 0.066840522 NA β-Alanine, N,N-bis(trimethylsilyl)-, trimethylsilyl ester 1.54470495 0.509992555 0.264779509 0.591679814 0.451775105 0.495886446 0.556467097 0.717912387 0.428315533 0.421203151 0.375482457 NA β-D-(+)-Mannopyranose, pentakis(trimethylsilyl) ether 119.1900378 53.82216955 173.3223892 NA 28.39238089 68.89274211 109.1258054 NA NA 54.55290135 NA 191.3033544 β-D-Glucopyranose, 1,2,3,4,6-pentakis-O-(trimethylsilyl)- NA 157.5517408 14.83297636 100.3763867 21.08298186 NA NA 61.71973602 189.784838 44.46445675 147.6816157 NA Serine, N,O-bis(trimethylsilyl)-, trimethylsilyl ester 0.12872779 1.161167559 0.109139154 0.81150899 0.42698503 0.606547334 0.541674005 3.121528213 0.684983482 1.17930325 0.194079513 NA Piperidine, 1-[2,3,4,6-tetrakis-O-(trimethylsilyl)-β-d-glucopyranosyl]- 0.093909089 0.235731365 0.446712835 0.209399373 NA NA 0.712969752 0.900223821 0.405916964 NA 0.776784811 NA D-(+)-Talofuranose, pentakis(trimethylsilyl) ether (isomer 1) NA NA NA NA NA NA 29.71483354 NA 30.93175945 NA 14.68675844 NA D-(-)-Lyxofuranose, tetrakis(trimethylsilyl) ether 0.22261622 0.042933835 0.906502327 NA NA NA 0.219115617 NA 9.383663462 NA 0.150542184 NA 2,5-Dimethoxymandelic acid, di-TMS 0.620792548 NA 0.443457708 0.77549867 0.049376851 NA 3.237326846 NA 0.080832462 0.066311989 1.878421439 0.061495042 Octadecane-1,2-diol, bis(trimethylsilyl) ether NA NA NA NA NA NA 0.394996229 0.112058797 0.268980559 NA NA 0.332942223 Butanedioic acid, methylene-, bis(trimethylsilyl) ester 39.38960495 15.40175669 26.9026552 25.04143432 23.56062234 22.85611649 1.788689376 2.997469669 2.072237402 2.905311055 6.698421115 NA L-Proline, 5-oxo-1-(trimethylsilyl)-, trimethylsilyl ester 1.713926888 2.861538466 0.968664968 3.944531026 2.147617305 2.025949072 2.250906946 2.540753862 1.202339853 1.889881252 0.995227688 NA 2-Piperidinecarboxylic acid, 1-(trimethylsilyl)-, trimethylsilyl ester 0.007794945 0.030546328 NA 0.158374643 0.114878652 0.114867632 NA 0.067186406 0.005565882 0.009024615 NA NA Propanoic acid, 3-[bis(trimethylsilyl)amino]-2-methyl-, trimethylsilyl ester 0.076178204 0.024428844 NA 0.034613897 0.012212875 0.022085769 0.037127876 0.062759823 0.015197806 0.031646038 0.013527861 NA L-Tyrosine, N,O-bis(trimethylsilyl)-, trimethylsilyl ester 0.191918253 0.50632809 0.108927489 0.609496911 0.372212926 0.365844215 0.009214333 0.035769718 0.008907991 0.015048856 0.005105297 NA (2-Ethoxyethoxy)acetic acid tms NA NA NA NA NA NA NA 53.2347731 NA 6.96505804 NA 69.6659989 D-Erythro-Pentofuranose, 2-deoxy-1,3,5-tris-O-(trimethylsilyl)- NA NA NA NA NA NA 29.69157273 188.3134182 155.4040689 100.242023 115.6246539 22.16768738 Aucubin, hexakis(trimethylsilyl) ether NA NA NA NA NA NA 60.79449856 NA 6.843367879 64.15718802 NA 16.51197702 L-Asparagine, N,N2-bis(trimethylsilyl)-, trimethylsilyl ester NA 5.655418904 NA 6.354122124 2.181458674 2.391951842 33.80226655 86.21377172 68.05383927 101.0438537 3.278140986 NA 3,6,9-Trioxa-2,10-disilaundecane, 2,2,10,10-tetramethyl- 77.77878818 NA 0.193595831 0.198089668 0.166336419 0.420175629 0.617374532 0.35476889 0.078944854 0.168427754 0.283954626 NA Propanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester 0.236562115 0.173077178 0.148672926 0.412659891 0.225278578 0.309334871 0.126850446 0.212892387 0.116899528 0.242889636 0.31414696 NA Methylmaleic acid, bis(trimethylsilyl) ester 11.64556736 5.462207343 7.139015967 8.327786906 7.776475814 7.298552811 0.185726411 0.483700176 0.282788878 0.732376178 1.705540835 NA Propanoic acid, 2,3-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester 0.179470731 0.234308727 0.269880991 0.420616355 0.301334601 0.317752037 0.182896529 0.117525569 0.101557075 0.156430334 0.094645451 NA D-(-)- Erythrofuranose, tris(trimethylsilyl) ether (isomer 2) 21.318564 46.78840317 121.3953726 NA 35.52481095 83.08652721 19.71946199 20.68670633 18.55807967 NA 79.20001785 55.86741682 1,5-Anhydro-D-sorbitol, tetrakis(trimethylsilyl) ether 50.46371423 NA 93.91340754 NA NA 94.31405012 43.08829421 169.4497163 NA 22.58654372 55.01213016 NA Mercaptoacetic acid, bis(trimethylsilyl)- 3.389719727 0.466475555 1.500376759 0.918490308 0.695461292 0.842420669 0.421694455 NA 0.215111107 0.21811039 0.418785374 0.615431699 L-Threonic acid, tris(trimethylsilyl) ether, trimethylsilyl ester NA NA 0.937058123 1.586944577 1.789644512 1.741637978 NA NA NA NA NA NA O,O,O'-Tris-trimethylsilylmalonate NA NA NA 7.615466702 5.139596017 5.600051814 4.500072382 2.782913322 2.925150099 NA NA 1.913004411 β-D-Glucopyranoside, methyl 4-O-methyl-2,3,6-tris-O-(trimethylsilyl)- 0.488767611 0.337280936 0.433876742 0.476647409 0.438191136 0.333132892 0.932967547 NA 0.784790776 1.013851194 0.5218732 NA β-D-(+)-Xylopyranose, tetrakis(trimethylsilyl) ether NA NA NA NA NA NA 2.052049372 25.53579523 68.89359495 NA 1.641008331 NA D-(-)-Fructopyranose, pentakis(trimethylsilyl) ether (isomer 2) 33.39533063 27.4057045 35.86600141 39.48726995 38.07950182 37.34835113 12.43759697 36.45519616 NA NA NA 42.9749667 β-D-(+)-Talopyranose, pentakis(trimethylsilyl) ether 80.93531887 0.399995154 0.367065722 155.1738349 NA 0.204815136 0.622160485 0.659489277 22.65668327 0.654980747 86.0305223 228.5097105 Mannose, 6-deoxy-2,3,4,5-tetrakis-O-(trimethylsilyl)-, L- NA 0.858974512 NA NA 1.920251438 2.164992255 1.622267114 1.084693619 1.038485497 NA 52.62086823 1.139838605 D-(+)-Galacturonic acid, O-pentakis(trimethylsilyl) deriv. 1.465563447 1.038072116 1.204684267 1.524935815 1.265172573 0.927943844 2.476531784 1.292368151 1.668552424 2.058990816 1.473192392 NA D-Xylopyranose, 1,2,3,4-tetrakis-O-(trimethylsilyl)- 4.62352071 21.40518019 3.836999516 5.614399407 5.957512053 NA NA NA NA NA NA NA D-Mannopyranose, 1,2,3,4-tetrakis-O-(trimethylsilyl)-, bis(trimethylsilyl) phosphate 0.894397947 0.625914853 NA 0.697114352 0.820836373 0.140763634 1.663556675 0.92318833 0.4036395 1.125439206 NA NA D-(-)-Tagatofuranose, pentakis(trimethylsilyl) ether (isomer 1) NA 46.64809845 22.66361515 59.51561622 NA NA NA 62.29747412 47.94915293 8.819443364 NA 103.2293721 D-(-)-Fructofuranose, pentakis(trimethylsilyl) ether (isomer 1) 25.48786628 7.66763337 NA 36.40814938 NA 17.1233931 NA NA NA NA NA NA Uridine, 2',3',5'-tris-O-(trimethylsilyl)- 48.34126724 65.54927723 NA NA 89.61633374 NA 66.61860559 NA 23.82459892 39.26059324 56.65580811 7.236282119 Cinnamic acid, p-(trimethylsiloxy)-, trimethylsilyl ester NA NA NA NA NA NA 0.409269821 0.454131328 0.109554814 0.285211152 0.087040279 NA L-Aspartic acid, N-(trimethylsilyl)-, bis(trimethylsilyl) ester 0.25033073 2.724722142 0.450069599 3.19597307 1.544284301 1.53539903 1.782589026 2.644576524 1.53810858 2.702815866 0.466290268 NA 2H-Pyrrole-2-carboxylic acid, 1,5-dihydro-4-(tert-butyldimethylsilyl)oxy-1-trifluoroacetyl-, methyl ester NA NA NA NA NA NA NA 0.033044344 0.047550494 NA 0.122777164 NA D-Ribose, 2,3,4-tris-O-(trimethylsilyl)-, 5-[bis(trimethylsilyl) phosphate] 0.126623815 0.094997138 0.195083933 0.14313808 0.271182645 0.19560937 NA NA NA NA NA NA Stigmasterol trimethylsilyl ether 0.935595914 0.374002206 0.566985696 0.531853522 0.489677022 0.385784302 1.05124567 NA 0.432694908 0.483504745 0.448239416 0.805065449 Phenylpropanolamine, bis(trimethylsilyl) 4.26319428 64.78580789 84.52346188 99.71031939 135.2765959 236.4650832 NA NA NA NA NA NA 1H-Indole-3-ethanamine, 6-fluoro-à-methyl-N,1-bis(trimethylsilyl)- 41.8857425 0.589454105 NA NA NA 0.569732717 NA NA NA NA NA NA L-Alanine, N-(trimethylsilyl)-, trimethylsilyl ester 24.44526996 65.64939936 NA 1.56493412 82.41979636 0.529958925 0.537751569 7.000746509 1.276239917 1.122323545 12.23801448 NA Alanine, N-methyl-N-methoxycarbonyl-, undecyl ester 0.211517931 0.254810496 79.54109158 11.65738072 0.259391703 0.153588235 1.156117233 7.588910914 5.013959897 228.0703345 1.035716688 NA Ribitol, 1,2,3,4,5-pentakis-O-(trimethylsilyl)- 110.6587758 81.33079398 0.808027291 135.1250262 171.0358613 139.3953805 257.3986449 39.66688067 164.3283944 74.20246785 116.5266156 19.24623721 Octadecanoic acid, trimethylsilyl ester 1.737434005 0.888269908 0.966072428 1.701999097 1.177725678 0.916812018 1.622350713 1.10902859 1.213793813 1.42636544 1.644038821 NA N,O,O-Tris(trimethylsilyl)-L-threonine 0.042432903 1.909896192 0.522906686 0.656484861 0.423588867 0.477782931 0.291507097 2.131533653 0.451369075 0.761427092 0.176067466 NA 2,3,4-Trihydroxybutyric acid tetrakis(trimethylsilyl) deriv., (, (R*,R*)-) 1.976474201 0.653044934 NA NA NA 0.136483351 NA NA NA NA NA NA 1-Propene-1,2,3-tricarboxylic acid, tris(trimethylsilyl) ester, (E)- 31.07396874 0.10682527 5.780077906 0.375108602 4.962660959 3.457947244 NA NA NA NA NA NA d-Mannose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1Z)- NA 6.137962427 9.790228822 3.558005466 8.935605032 8.377860701 14.0049785 7.595427453 11.32758854 7.857548565 21.29564647 NA d-Galactose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1Z)- 12.20448317 0.371346683 2.139857193 1.844199292 3.323432432 2.243708756 3.284669392 0.114855122 2.064025964 2.427404525 NA NA Myo-Inositol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)- 16.90906549 12.46513391 15.12822806 10.70615547 4.297069124 6.823292793 3.689566399 2.65231991 1.771600708 7.225612731 2.794534649 10.4712552 1-Propene-1,2,3-tricarboxylic acid, tris(trimethylsilyl) ester, (Z)- 18.08958174 42.00757905 88.22718626 85.51300913 95.7315739 71.51299492 NA 8.260546273 NA 4.234631383 13.07293701 NA Butanedioic acid, [(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester 16.7514088 13.16840033 14.92288162 18.44620418 34.92116996 12.79346786 3.11360419 2.042522849 1.579235286 2.344908275 4.216226452 NA Glycerol, tris(trimethylsilyl) ether 3.407471718 0.730071885 0.362645495 0.728652775 2.333000762 23.24189711 108.4049879 33.37862595 0.956933696 2.157146303 14.23728854 NA Trimethylsilyl 3,4-bis(trimethylsiloxy)cinnamate 1.692608898 0.676079926 0.514665971 1.056518427 0.848677211 0.871992349 NA NA NA NA NA NA D-Gluconic acid, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, trimethylsilyl ester 1.240278242 1.79889507 0.280258815 4.853068328 2.336113793 2.43810514 2.20249561 2.622667163 1.059436478 4.024988 1.000844942 NA 9,12-Octadecadienoic acid (Z,Z)-, trimethylsilyl ester 1.096022875 1.348234492 0.934987834 2.217544831 1.170227812 1.33951871 NA NA NA NA NA NA metabolite_name Match PubChem KEGG β-Sitosterol trimethylsilyl ether Beta-Sitosterol 222284 C01753 L-Valine, N-(trimethylsilyl)-, trimethylsilyl ester L-Valine 6287 C00183 Butanoic acid, 4-[(trimethylsilyl)oxy]-, trimethylsilyl ester 4-Hydroxybutyric acid 10413 C01991 Cyclopentene-3-carboxylic acid, 1-(trimethylsilyl)oxy-, methyl ester NA NA NA L-Isoleucine, N-(trimethylsilyl)-, trimethylsilyl ester L-Isoleucine 6306 C00407 Butanoic acid, 4-[bis(trimethylsilyl)amino]-, trimethylsilyl ester NA NA NA Cadaverine, N,N,N',N'-tetrakis(trimethylsilyl) Cadaverine 273 C01672 β-Alanine, N,N-bis(trimethylsilyl)-, trimethylsilyl ester Beta-Alanine 239 C00099 β-D-(+)-Mannopyranose, pentakis(trimethylsilyl) ether NA NA NA β-D-Glucopyranose, 1,2,3,4,6-pentakis-O-(trimethylsilyl)- NA NA NA Serine, N,O-bis(trimethylsilyl)-, trimethylsilyl ester NA NA NA Piperidine, 1-[2,3,4,6-tetrakis-O-(trimethylsilyl)-β-d-glucopyranosyl]- NA NA NA D-(+)-Talofuranose, pentakis(trimethylsilyl) ether (isomer 1) NA NA NA D-(-)-Lyxofuranose, tetrakis(trimethylsilyl) ether NA NA NA 2,5-Dimethoxymandelic acid, di-TMS NA NA NA Octadecane-1,2-diol, bis(trimethylsilyl) ether NA NA NA Butanedioic acid, methylene-, bis(trimethylsilyl) ester Itaconic acid 811 C00490 L-Proline, 5-oxo-1-(trimethylsilyl)-, trimethylsilyl ester Pyroglutamic acid 7405 C01879 2-Piperidinecarboxylic acid, 1-(trimethylsilyl)-, trimethylsilyl ester NA NA NA Propanoic acid, 3-[bis(trimethylsilyl)amino]-2-methyl-, trimethylsilyl ester 3-Aminoisobutanoic acid 64956 C05145 L-Tyrosine, N,O-bis(trimethylsilyl)-, trimethylsilyl ester L-Tyrosine 6057 C00082 (2-Ethoxyethoxy)acetic acid tms NA NA NA D-Erythro-Pentofuranose, 2-deoxy-1,3,5-tris-O-(trimethylsilyl)- NA NA NA Aucubin, hexakis(trimethylsilyl) ether Aucubin 348157 C09771 L-Asparagine, N,N2-bis(trimethylsilyl)-, trimethylsilyl ester L-Asparagine 6267 C00152 3,6,9-Trioxa-2,10-disilaundecane, 2,2,10,10-tetramethyl- NA NA NA Propanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester L-Lactic acid 61503 C00186 Methylmaleic acid, bis(trimethylsilyl) ester NA NA NA Propanoic acid, 2,3-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester Glyceric acid 439194 C00258 D-(-)- Erythrofuranose, tris(trimethylsilyl) ether (isomer 2) NA NA NA 1,5-Anhydro-D-sorbitol, tetrakis(trimethylsilyl) ether NA NA NA Mercaptoacetic acid, bis(trimethylsilyl)- NA NA NA L-Threonic acid, tris(trimethylsilyl) ether, trimethylsilyl ester Threonic acid 151152 C01620 O,O,O'-Tris-trimethylsilylmalonate Malonic acid 867 C04025 β-D-Glucopyranoside, methyl 4-O-methyl-2,3,6-tris-O-(trimethylsilyl)- NA NA NA β-D-(+)-Xylopyranose, tetrakis(trimethylsilyl) ether NA NA NA D-(-)-Fructopyranose, pentakis(trimethylsilyl) ether (isomer 2) NA NA NA β-D-(+)-Talopyranose, pentakis(trimethylsilyl) ether NA NA NA Mannose, 6-deoxy-2,3,4,5-tetrakis-O-(trimethylsilyl)-, L- NA NA NA D-(+)-Galacturonic acid, O-pentakis(trimethylsilyl) deriv. NA NA NA D-Xylopyranose, 1,2,3,4-tetrakis-O-(trimethylsilyl)- D-Xylose 135191 C00181 D-Mannopyranose, 1,2,3,4-tetrakis-O-(trimethylsilyl)-, bis(trimethylsilyl) phosphate NA NA NA D-(-)-Tagatofuranose, pentakis(trimethylsilyl) ether (isomer 1) NA NA NA D-(-)-Fructofuranose, pentakis(trimethylsilyl) ether (isomer 1) NA NA NA Uridine, 2',3',5'-tris-O-(trimethylsilyl)- Uridine 6029 C00299 Cinnamic acid, p-(trimethylsiloxy)-, trimethylsilyl ester 4-Hydroxycinnamic acid 637542 C00811 L-Aspartic acid, N-(trimethylsilyl)-, bis(trimethylsilyl) ester L-Aspartic acid 5960 C00049 2H-Pyrrole-2-carboxylic acid, 1,5-dihydro-4-(tert-butyldimethylsilyl)oxy-1-trifluoroacetyl-, methyl ester NA NA NA D-Ribose, 2,3,4-tris-O-(trimethylsilyl)-, 5-[bis(trimethylsilyl) phosphate] D-Ribose 5-phosphate 439167 C00117 Stigmasterol trimethylsilyl ether NA NA NA Phenylpropanolamine, bis(trimethylsilyl) Phenylpropanolamine 26934 C02343 1H-Indole-3-ethanamine, 6-fluoro-à-methyl-N,1-bis(trimethylsilyl)- NA NA NA L-Alanine, N-(trimethylsilyl)-, trimethylsilyl ester L-Alanine 5950 C00041 Alanine, N-methyl-N-methoxycarbonyl-, undecyl ester NA NA NA Ribitol, 1,2,3,4,5-pentakis-O-(trimethylsilyl)- NA NA NA Octadecanoic acid, trimethylsilyl ester Stearic acid 5281 C01530 N,O,O-Tris(trimethylsilyl)-L-threonine NA NA NA 2,3,4-Trihydroxybutyric acid tetrakis(trimethylsilyl) deriv., (, (R*,R*)-) Erythronic acid 2781043 NA 1-Propene-1,2,3-tricarboxylic acid, tris(trimethylsilyl) ester, (E)- trans-Aconitic acid 444212 C02341 d-Mannose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1Z)- NA NA NA d-Galactose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methyloxyme, (1Z)- NA NA NA Myo-Inositol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)- NA NA NA 1-Propene-1,2,3-tricarboxylic acid, tris(trimethylsilyl) ester, (Z)- cis-Aconitic acid 643757 C00417 Butanedioic acid, [(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester Malic acid 525 C03668 Glycerol, tris(trimethylsilyl) ether Glycerol 753 C00116 Trimethylsilyl 3,4-bis(trimethylsiloxy)cinnamate Caffeic acid 1549111 C01481 D-Gluconic acid, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, trimethylsilyl ester NA NA NA 9,12-Octadecadienoic acid (Z,Z)-, trimethylsilyl ester Linoleic acid 5280450 C01595