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Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
AdenineAdenineME437599--11.928264
AdenosineAdenosineME437638--16.479204
Alanine_2TMSAlanineME437515--5.215116
Alanylalanine_3Ala-AlaME437597--11.85188
alfaAminoadipate-ME437578--10.816260
alfaAminobutyrate-ME437520--5.98130
alfaHydroxybutyrate-ME437516--5.494131
alfaIsopropylmalate-ME437562--9.793275
AllantoinAllantoinME437602--12.126331
Allose_2_minor_Mannose_2_minor-ME437606--12.276204
Aminomethyluracil-ME437600--11.976327
Anhydroglucitol-ME437598--11.883147
Arabinose_phosphate_2-ME437626--13.627315
Aspartate_3TMSAspartic acidME437553--9.284232
betaAlanine_3TMSbeta-AlanineME437544--8.474248
betaGlutamic acid_3TMSIsoglutamic acidME437566--10.034232
betaHydroxybutyrate3-Hydroxybutyric acidME437519--5.838147
betaHydroxyisovalerate3-Hydroxyisovaleric acidME437522--6.366131
betaLactose_2_minor-ME437643--17.027204
betaPhenyllactate-ME437563--9.826193
betaPhosphoglycerate-ME437588--11.551299
Cadaverine_4TMS_2018CadaverineME437594--11.733174
CaffeateCaffeic acidME437627--13.639219
CaffeineCaffeineME437596--11.793194
CitramalateCitramalic acidME437547--8.902232
CitrateCitric acidME437592--11.631273
CitrullineCitrullineME437591--11.614157
CreatinineCreatinineME437559--9.622115
Cysteine_3TMSCysteineME437558--9.586220
Cysteine_sulfinate3-Sulfino-alanineME437576--10.573252
CystineCystineME437633--14.655218
Cytidine_2CytidineME437642--16.765223
DecanoateCapric acidME437545--8.662229
DeoxyinosineDeoxyinosineME437636--15.995331
Deoxyribose_phosphateDeoxyribose 5-phosphateME437620--13.06299
DihydrouracilDihydrouracilME437549--9.031243
DihydroxyacetoneDihydroxyacetoneME437525--6.817163
Dihydroxyacetone_phosphate_1Dihydroxyacetone phosphateME437583--11.078299
Dihydroxybenzoate-ME437582--11.051355
Elaidate-ME437631--14.103158
EpicatechinEpicatechinME437647--17.549368
Epigallo_catechinEpigallocatechinME437650--17.937355
ErythritolErythritolME437551--9.231147
EthanolamineEthanolamineME437528--6.973174
F6P_3Fructose 6-phosphateME437634--14.93387
fiveAminovalerate-ME437569--10.153174
Fructose_2FructoseME437603--12.147307
Fucose_2FucoseME437584--11.122117
FumarateFumaric acidME437538--7.676245
GABAgamma-Aminobutyric acidME437556--9.365174
Galactose_1GalactoseME437604--12.23147
GallateGallic acidME437612--12.547281
gammaHydroxybenzoate-ME437568--10.115267
gammaHydroxyphenylacetate-ME437571--10.209179
GluconateGluconic acidME437619--12.98333
Glucose_1GlucoseME437605--12.266147
Glucuronate_1_major-ME437611--12.541333
Glutamate_3TMSGlutamic acidME437567--10.078246
Glutamine_3TMSGlutamineME437585--11.246156
GlutarateGlutaric acidME437541--8.212147
GlycerateGlyceric acidME437536--7.604147
Glycine_3TMSGlycineME437535--7.374174
GlycolateGlycolic acidME437514--4.904147
Glycylglycine_1Gly-GlyME437589--11.589156
GuanineGuanineME437625--13.618352
GuanosineGuanosineME437644--17.166324
Histidine_3TMSHistidineME437608--12.319144
HomoserineHomoserineME437546--8.682218
HydrocinnamateHydrocinnamic acidME437543--8.352104
HydroxyprolineHydroxyprolineME437555--9.344230
HypotaurineHypotaurineME437565--9.96188
HypoxanthineHypoxanthineME437587--11.482265
Indole_3_acetate_2_major-ME437615--12.591202
InosineInosineME437637--16.161217
InositolInositolME437623--13.534305
Isoleucine_2TMS_majorIsoleucineME437532--7.241158
Ketovaline_2Ketoisovaleric acidME437517--5.57589
LactateLactic acidME437513--4.772117
Lauriate-ME437572--10.258117
Leucine_2TMSLeucineME437529--7.017158
LinoleateLinoleic acidME437629--14.04218
Lysine_4TMSLysineME437607--12.308156
MalateMalic acidME437548--9.012147
MaleateMaleic acidME437534--7.308163
MalonateMalonic acidME437521--6.299147
MaltitolMaltitolME437649--17.694361
Maltose_1_major-ME437646--17.203361
MaltotrioseMaltotrioseME437651--22.07361
MannitolMannitolME437610--12.497311
Methionine_2TMSMethionineME437552--9.271176
MyristateMyristic acidME437593--11.697117
nAcetylgalactosamine_2_major-ME437624--13.586147
nAcetylglucosamine_1_major-ME437621--13.453147
nAcetylneuraminate_1N-Acetylneuraminic acidME437639--16.608246
nAcetylputrescine_3TMS_2018N-AcetylputrescineME437580--10.911174
Naringenin_1_major-ME437648--17.621204
NicotinateNicotinic acidME437531--7.186180
NonanoatePelargonic acidME437539--7.794215
nPropylamine-ME437511--4.373174
OleateOleic acidME437630--14.068117
Ornithine_4TMSOrnithineME437590--11.605142
Oxaloacetate_Pyruvate-ME437512--4.598174
Oxamate-ME437526--6.835146
PalmitoleatePalmitoleic acidME437617--12.881204
Panose_2_major-ME437652--23.071361
ParaxanthineParaxanthineME437614--12.566237
Phenylalanine_2TMSPhenylalanineME437570--10.165218
PhosphatePhosphoric acidME437530--7.061283
PhosphoenolpyruvatePhosphoenolpyruvic acidME437564--9.955100
PhosphoethanolaminePhosphoethanolamineME437586--11.374299
PhosphoserinePhosphoserineME437595--11.765299
Proline_2TMSProlineME437533--7.277142
Propanediamine-ME437574--10.352174
PropyleneglycolPropylene glycolME437510--4.087117
Putrescine_4TMS_2018PutrescineME437581--11.03174
Pyrogallol1,2,3-TrihydroxybenzeneME437557--9.517239
Pyroglutamate_2TMSPyroglutamic acidME437554--9.299156
QuinateQuinic acidME437601--11.984345
RiboseRiboseME437577--10.631103
Ribulose_phosphate_Xylulose_phosphate_2-ME437628--13.694357
Sarcosine_2TMSSarcosineME437518--5.589116
Serine_2TMS_minorSerineME437527--6.851116
SorbitolSorbitolME437613--12.549147
SucroseSucroseME437640--16.66361
TartarateTartaric acidME437573--10.281241
TaurineTaurineME437575--10.513326
ThreitolThreitolME437550--9.158103
ThreonateThreonic acidME437560--9.666292
Threonine_3TMS_majorThreonineME437540--8.139218
ThymineThymineME437542--8.244255
TrehaloseTrehaloseME437645--17.173280
Tryptophan_3TMSTryptophanME437632--14.228202
TyrosineTyrosineME437609--12.429218
TyrosolTyrosolME437561--9.678179
UracilUracilME437537--7.655241
UrateUric acidME437622--13.507441
UreaUreaME437524--6.587189
Uridine_4TMSUridineME437635--15.509217
UrocanateUrocanic acidME437616--12.777267
Valine_2TMSValineME437523--6.45144
XanthineXanthineME437618--12.959353
XanthosineXanthosineME437641--16.711325
XylitolXylitolME437579--10.876217


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