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Analysis: GCMS positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,5-anhydroglucitol1,5-AnhydrosorbitolME68133964960C07326633969217
1-monopalmitinMG 16:0/0:0/0:0ME6813403084463C01885901749129
1-monostearinMG 18:0/0:0/0:0ME68130524699D01947959214129
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME68130423368901-397526241
2-hydroxybutanoic acid2-Hydroxybutyric acidME68128411266C05984259826131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME68133843C02630506306247
2-isopropylmalic acid2-Isopropylmalic acidME6813905280523C02504508690275
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME68141216069996C06474588886231
3-hydroxypalmitic acid3R-Hydroxypalmitic acidME68141315569776-774930233
3-phosphoglycerate3-Phosphoglyceric acidME681337724C00597610734227
4-aminobutyric acid4-Aminopentanoic acidME681411119C00334488730304
4-hydroxybenzoate4-Hydroxybenzoic acidME681410135C00156537925223
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME681409127C00642542795179
6-deoxyglucoseQuinovoseME681381441480C08352573663117
adenineAdenineME681303190C00147646534264
adenosineAdenosineME68130260961C00212918039236
adenosine-5-monophosphateAMPME6813016083C000201038688169
alanineAlanineME6813765950C00041244189116
alanine-alanineAla-AlaME6813895484352C00993522546116
aminomalonateAminomalonic acidME681336100714C00872455754218
arachidic acidArachidic acidME68133510467C06425856421117
aspartic acidAspartic acidME6813345960C00049480387232
benzoic acidBenzoic acidME681300243C00180339067179
benzylalcoholBenzyl alcoholME681408244C00556281745165
beta-alaninebeta-AlanineME681333239C00099435564248
bisphosphoglycerol NIST-ME681407102018-764660299
butyrolactam NIST2-PyrrolidinoneME68129912025C11118277199142
capric acidCapric acidME6813322969C01571451790229
citramalic acidCitramalic acidME6813751081C00815456203247
citric acidCitric acidME681331311C00158617342273
cyclohexylamineCyclohexylamineME6814067965C00571227945128
cysteineCysteineME681330594C00097500158220
cysteine-glycineCys-GlyME681329439498C01419715335220
cytidine-5-monophosphateCMPME6813656131C00055849449142
diacetone alcohol NISTDiacetone alcoholME68140531256-208867115
dodecanoic acid, isopropanol ester NIST-ME681404--536494200
ethanolamineEthanolamineME681374700C00189343800174
ethanol phosphate NISTEthylphosphateME681403--317291211
ethylsuccinate NIST-ME68140270610-333854175
fructoseFructoseME6813285984C02336639442307
fructose-1-phosphateFructose 1-phosphateME681364481C01094803180387
fructose-6-phosphateFructose 6-phosphateME68138069507C05345804279315
fumaric acidFumaric acidME681388444972C00122392338245
galactose-6-phosphateGalactose 6-phosphateME6813793034794C01113828102387
gamma-aminobutyric acidgamma-Aminobutyric acidME681401119C00334364801102
gluconic acidGluconic acidME68132710690C00800693148333
glucoseGlucoseME6813635793C00221659798319
glucose-1-phosphateGlucose 1-phosphateME68136265533C00103594647217
glucose-6-phosphateGlucose 6-phosphateME6813735958C01172810287387
glutamic acidGlutamic acidME68136133032C00025529100246
glutamineGlutamineME6813265961C00064600315156
glutathioneGlutathioneME681387124886C00051761296213
glyceric acidGlyceric acidME681360439194C00258377495189
glycerol-alpha-phosphatesn-Glycero-3-phosphateME681386754C03189593299357
glycineGlycineME681325750C00037368707248
glycolic acidGlycolic acidME681298757C00160227636177
guanineGuanineME681372764C00242744307352
guanosineGuanosineME6813856802C00387957445324
heptadecanoic acidMargaric acidME68129710465-751309117
hexoseHexoseME681400206C00738642640319
hexose-6-phosphateHexose 6-phosphateME681368208C02965806282387
homoserineHomoserineME68135912647C00263443878218
hydroxycarbamate NISTHydroxycarbamic acidME68132416639161-325948278
hydroxylamineHydroxylamineME681378787C00192255241146
hypoxanthineHypoxanthineME681358790C00262619128265
inosineInosineME6813576021C00294897434230
inosine 5'-monophosphateIMPME6813568582C001301016811169
isoleucineIsoleucineME6812966306C00407359251158
lactic acidLactic acidME681295107689C01432217657191
lauric acidLauric acidME6813233893C02679547906117
leucineLeucineME6813996106C00123345168158
levoglucosanGlucosanME6813552724705-569637204
lysineLysineME6813225962C00047663483156
malic acidMalic acidME681294222656C00711463180233
maltoseMaltoseME681398439186C00208954710204
maltotrioseMaltotrioseME681371439586C018351176044361
mannoseMannoseME68128318950C00159508594198
mannose-6-phosphate NISTMannose 6-phosphateME68138465127C00275822643387
methionineMethionineME6813216137C00073483560176
methyl O-D-galactopyranosideMethyl beta-D-galactosideME68139794214C03619630836204
myristic acidMyristic acidME68129311005C06424634414117
N-acetylaspartic acidN-Acetylaspartic acidME68135465065C01042548028158
N-carbamoylaspartateN-Carbamoylaspartic acidME68139193072C00438666187160
nicotinamideNiacinamideME681367936C00153471602179
nicotinic acidNicotinic acidME681383938C00253366992180
N-methylalanineN-MethylalanineME6813705288725C02721286855130
norleucineNorleucineME68139621236C01933374120158
norvalineNorvalineME681395439575C01826326715144
O-acetylserineO-AcetylserineME68138299478C00979414914174
octanol NISTn-OctanolME681394--247010187
oleic acidOleic acidME681353445639C00712781527129
ornithine 4tmsOrnithineME6812926262C00077619548142
orotic acidOrotic acidME681320967C00295586317254
oxalic acidOxalic acidME681319971C00209260513190
oxoprolineOxoprolineME6813527405C01879485935156
palmitic acidPalmitic acidME681318985C00249713809313
palmitoleic acidPalmitoleic acidME681291445638C08362706508117
pantothenic acidPantothenic acidME681290988C12276690887291
p-cresolP-CresolME6813512879C01468280360165
pelargonic acidPelargonic acidME6812898158C01601399229117
pentadecanoic acidPentadecylic acidME68136913849C16537674647117
phenolPhenolME681377996C00146218927151
phenylacetic acidPhenylacetic acidME681317999C07086368081164
phenylalaninePhenylalanineME6813166140C00079537804218
phosphatePhosphoric acidME6813931004C00009348274314
phosphoethanolaminePhosphoethanolamineME6813661015C00346604335299
prolineProlineME681315145742C00148364716142
propane-1,3-diol NISTPropane-1,3-diolME68131410442C02457214380177
putrescinePutrescineME6813501045C00138588119174
pyrophosphatePyrophosphateME681349644102C00013327517110
pyruvic acidPyruvic acidME6813131060C00022211668174
riboseRiboseME6813125779C00121553135217
ribose-5-phosphateRibose 5-phosphateME681392439167C00117731096315
serineSerineME6812885951C00065395020218
shikimic acidShikimic acidME6813118742C00493611100204
spermidineSpermidineME6813481102C00315792924144
stearic acidStearic acidME6812825281C01530329250100
succinic acidSuccinic acidME6813101110C00042370608247
sucroseSucroseME6813095988C00089915139271
threonineThreonineME6813086288C00188409568218
thymidineThymidineME6813075789C00214349402170
thymidine-5-phosphateTMPME68134712803287C00364608111170
thymineThymineME6813461135C00178420133255
tryptophanTryptophanME6813066305C00078780482202
tyrosineTyrosineME6812876057C00082671252218
UDP-glucuronic acidUDP-glucuronic acidME68134517473C00167587601217
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME681344445675C00043625003226
uracilUracilME6813431174C00106385735241
valineValineME6813426287C00183313502144
xanthineXanthineME6812861188C00385701688353
xyloseXyloseME681285135191C00181546699307
xylulose NISTXyluloseME6813415289590C00312553450173


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