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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-AnhydrosorbitolME65173964960C07326633969217
1-monopalmitinMG 16:0/0:0/0:0ME6517403084463C01885901749129
1-monostearinMG 18:0/0:0/0:0ME65174124699D01947959214129
2,4-diaminobutyric acid minor12,4-Diaminobutyric acidME651742134490C03283441621100
2-deoxytetronic acid NIST3,4-Dihydroxybutyric acidME651743192742-390517117
2-hydroxy-2-methylbutanoic acid2-Hydroxy-2-methyl-butyric acidME65174458103944-264833145
2-hydroxybutanoic acid2-Hydroxybutyric acidME65174511266C05984259826131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME65174643C02630506306247
2-hydroxyvaleric acid2-Hydroxyvaleric acidME65174798009-309587131
2-ketoisocaproic acidKetoleucineME65174870C00233339553116
3-hydroxybutanoic acid3-Hydroxybutyric acidME651749441C0108278969177
3-hydroxybutyric acid3-Hydroxybutyric acidME651750441C01089278829191
3-phosphoglycerate3-Phosphoglyceric acidME651751724C00597610734227
4-hydroxybutyric acid4-Hydroxybutyric acidME65175210413C00989325027233
5-methoxytryptamine5-MethoxytryptamineME6517531833C05659864466174
acetoacetateAcetoacetic acidME65175496C0016425245189
aconitic acidcis-Aconitic acidME651755643757C00417586815229
adenosine-5-monophosphateAMPME6517566083C000201038688169
adipic acidAdipic acidME651757196C06104474435111
alanineAlanineME6517585950C00041347293299
allantoic acid (dehydrated) 4TMS majorAllantoic acidME651759203C00499647453331
alloxanoic acid 4tms NISTAlloxanoic acidME65176094146-584472331
alpha-aminoadipic acidalpha-Aminoadipic acidME651761469C00956571057260
alpha-ketoglutarateOxoglutaric acidME65176251C00026507392198
aminomalonateAminomalonic acidME651763100714C00872455754218
arachidic acidArachidic acidME65176410467C06425856421117
arachidonic acidArachidonic acidME651765444899C0021983433991
asparagineAsparagineME6517666267C00152553078188
aspartic acidAspartic acidME6517675960C00049480387232
azelaic acidAzelaic acidME6517682266C08261610651317
behenic acidBehenic acidME6517698215C08281920648117
benzoic acidBenzoic acidME651770243C00180339067179
beta-alaninebeta-AlanineME651771239C00099435564248
capric acidCapric acidME6517722969C01571451790229
caprylic acidCaprylic acidME651773379C06423343457201
cellobioseCellobioseME651774439186C01971932179204
cholestan-3-olEpi-cholestanolME6517753240C129781082070215
cholesterolCholesterolME6517765997C00187486729156
citric acidCitric acidME651777311C00158617342273
creatinineCreatinineME651778588C007911077048129
cystathionine 4tms nistCystathionineME651779439258C02291772979218
cysteineCysteineME651780594C00097500158220
cysteine-glycineCys-GlyME651781439498C01419715335220
cystineCystineME651782595C01420804619218
cytidineCytidineME6517836175C00475937026223
cytosinCytosineME651784597C00380486724254
diglycerolDiglycerolME65178542953-591074103
dodecanolDodecanolME6517868193C02277507619243
erythritolErythritolME651787222285C00503471922217
ethanolamineEthanolamineME651788700C00189344719174
fructoseFructoseME6517895984C02336639442307
fucose 1FucoseME651790439650C02095578299160
fumaric acidFumaric acidME651791444972C00122390775245
glucoheptuloseGlucoheptuloseME651792102926C02076828606217
gluconic acidGluconic acidME65179310690C00800693148333
gluconic acid lactoneGluconolactoneME6517947027C00198645815220
glucoseGlucoseME6517955793C00221654125319
glutamic acidGlutamic acidME65179633032C00025619803273
glutamineGlutamineME6517975961C00064600315156
glutaric acidGlutaric acidME651798743C00489421260261
glyceric acidGlyceric acidME651799439194C00258856790117
glycerolGlycerolME651800753C00116779249339
glycineGlycineME651801750C00037368707248
glycolic acidGlycolic acidME651802757C00160227636177
heptadecanoic acidMargaric acidME65180310465-751309117
hexitolSorbitolME651804453C00392411756218
hexuronic acidHexuronic acidME651805152867-667373160
histidineHistidineME6518066274C00135663739154
hydroxycarbamate NISTHydroxycarbamic acidME65180716639161-325948278
hydroxylamineHydroxylamineME651808787C00192253158146
indole-3-lactateIndolelactic acidME65180992904C02043764586202
isocitric acidIsocitric acidME6518101198C00451617338245
isoheptadecanoic acid NIST15-Methylpalmitic acidME651811164860-737927117
isoleucineIsoleucineME6518126306C00407359251158
isothreonic acid 1D-Threonic acidME6518135280363C00639489385292
lactamideLactamideME65181494220-265698232
lauric acidLauric acidME6518153893C02679547906117
leucineLeucineME6518166106C00123741335223
linoleic acidLinoleic acidME6518175280450C01595777414150
lysineLysineME6518185962C00047663483156
lyxitolL-ArabitolME651819439255C00532573587217
maleic acidMaleic acidME651820444266C01384363611245
malic acidMalic acidME651821222656C00711463180233
malonic acidMalonic acidME651822867C00383305372233
maltose 1MaltoseME651823439186C00208946601204
mannoseMannoseME65182418950C00159508594198
methanolphosphateMethanolphosphateME65182513130-289520241
methionineMethionineME6518266137C00073483560176
methionine sulfoxideMethionine sulfoxideME651827847C02989637588128
myo-inositolMyo-inositolME651828892C00137730022305
myristic acidMyristic acidME65182911005C06424634414117
n-acetylglutamateN-Acetylglutamic acidME65183070914C00624477776158
N-acetylmannosamine minorN-Acetyl-mannosamineME651831439281C00645735323319
n-epsilon-trimethyllysineN-6-TrimethyllysineME651832440120C03793512366118
nicotinic acidNicotinic acidME651833938C00253353934180
N-methylalanineN-MethylalanineME6518345288725C02721777348337
octadecanolStearyl alcoholME6518358221D01924755409327
oleic acidOleic acidME651836445639C0071277912098
ornithine 4tmsOrnithineME6518376262C00077619548142
orotic acidOrotic acidME651838967C00295586317254
oxalic acidOxalic acidME651839971C00209260513190
oxoprolineOxoprolineME6518407405C01879346514205
palmitic acidPalmitic acidME651841985C00249713809313
palmitoleic acidPalmitoleic acidME651842445638C08362706508117
parabanic acid NISTParabanic acidME65184367126C00802464991100
pelargonic acidPelargonic acidME6518448158C01601399229117
phenylacetic acidPhenylacetic acidME651845999C07086368081164
phenylalaninePhenylalanineME6518466140C00079537804218
phenylethylaminePhenylethylamineME6518471001C05332510327174
phosphatePhosphoric acidME6518481004C00009891860149
phosphoethanolaminePhosphoethanolamineME6518491015C00346603912299
prolineProlineME651850145742C00148364716142
propane-1,3-diol NISTPropane-1,3-diolME65185110442C02457214380177
putrescinePutrescineME6518521045C00138588872174
pyrophosphate TMS4PyrophosphateME6518531023C00013549019451
pyruvic acidPyruvic acidME6518541060C00022211668174
riboseRiboseME6518555779C00121553135217
saccharic acidGlucaric acidME65185633037C00818699211333
salicylic acidSalicylic acidME651857338C00805480699267
serineSerineME6518585951C00065395020218
shikimic acidShikimic acidME6518598742C00493611100204
sorbitolSorbitolME651860453C00794667922217
stearic acidStearic acidME6518615281C01530329250100
succinate semialdehydeSuccinic acid semialdehydeME6518621112C00232297024113
succinic acidSuccinic acidME6518631110C00042370608247
sucroseSucroseME6518645988C00089915139271
taurineTaurineME6518651123C00245556690326
threitolThreitolME651866169019C16884467595217
threonic acidThreonic acidME651867151152C01620497572292
threonineThreonineME6518686288C00188409568218
thymidineThymidineME6518695789C00214349402170
tocopherol alpha-alpha-TocopherolME651870638015C003761067809237
trans-4-hydroxyprolinetrans-4-HydroxyprolineME65187111137200C01157484934140
tryptophanTryptophanME6518726305C00078780482202
tyrosineTyrosineME6518736057C00082671252218
uracilUracilME6518741174C00106385816241
urea 3TMSUreaME6518751176C00086290193171
uric acidUric acidME6518761175C00366730691441
valineValineME6518776287C00183788356117
xylitolXylitolME6518786912C00379567437217
xyloseXyloseME651879135191C00181543267103


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