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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
2-hydroxyglutaric acid2-Hydroxyglutaric acidME65174643C02630506306247
alpha-ketoglutarate2-Oxoglutaric acidME65176251C00026507392198
2-ketoisocaproic acidKetoleucineME65174870C00233339553116
acetoacetateAcetoacetic acidME65175496C0016425245189
adipic acidAdipic acidME651757196C06104474435111
allantoic acid (dehydrated) 4TMS majorAllantoic acidME651759203C00499647453331
beta-alaninebeta-AlanineME651771239C00099435564248
benzoic acidBenzoic acidME651770243C00180339067179
citric acidCitric acidME651777311C00158617342273
salicylic acidSalicylic acidME651857338C00805480699267
caprylic acidCaprylic acidME651773379C06423343457201
3-hydroxybutanoic acid3-Hydroxybutyric acidME651749441C0108278969177
3-hydroxybutyric acid3-Hydroxybutyric acidME651750441C01089278829191
hexitolSorbitolME651804453C00392411756218
sorbitolSorbitolME651860453C00794667922217
alpha-aminoadipic acidalpha-Aminoadipic acidME651761469C00956571057260
creatinineCreatinineME651778588C007911077048129
cysteineCysteineME651780594C00097500158220
cystineCystineME651782595C01420804619218
cytosinCytosineME651784597C00380486724254
ethanolamineEthanolamineME651788700C00189344719174
3-phosphoglycerate3-Phosphoglyceric acidME651751724C00597610734227
glutaric acidGlutaric acidME651798743C00489421260261
glycineGlycineME651801750C00037368707248
glycerolGlycerolME651800753C00116779249339
glycolic acidGlycolic acidME651802757C00160227636177
hydroxylamineHydroxylamineME651808787C00192253158146
methionine sulfoxideMethionine sulfoxideME651827847C02989637588128
malonic acidMalonic acidME651822867C00383305372233
myo-inositolMyo-inositolME651828892C00137730022305
nicotinic acidNicotinic acidME651833938C00253353934180
orotic acidOrotic acidME651838967C00295586317254
oxalic acidOxalic acidME651839971C00209260513190
palmitic acidPalmitic acidME651841985C00249713809313
phenylacetic acidPhenylacetic acidME651845999C07086368081164
phenylethylaminePhenylethylamineME6518471001C05332510327174
phosphatePhosphoric acidME6518481004C00009891860149
phosphoethanolaminePhosphoethanolamineME6518491015C00346603912299
pyrophosphate TMS4PyrophosphateME6518531023C00013549019451
putrescinePutrescineME6518521045C00138588872174
pyruvic acidPyruvic acidME6518541060C00022211668174
succinic acidSuccinic acidME6518631110C00042370608247
succinate semialdehydeSuccinic acid semialdehydeME6518621112C00232297024113
taurineTaurineME6518651123C00245556690326
uracilUracilME6518741174C00106385816241
uric acidUric acidME6518761175C00366730691441
urea 3TMSUreaME6518751176C00086290193171
isocitric acidIsocitric acidME6518101198C00451617338245
5-methoxytryptamine5-MethoxytryptamineME6517531833C05659864466174
azelaic acidAzelaic acidME6517682266C08261610651317
capric acidCapric acidME6517722969C01571451790229
cholestan-3-olEpi-cholestanolME6517753240C129781082070215
lauric acidLauric acidME6518153893C02679547906117
stearic acidStearic acidME6518615281C01530329250100
riboseRiboseME6518555779C00121553135217
thymidineThymidineME6518695789C00214349402170
glucoseGlucoseME6517955793C00221654125319
alanineAlanineME6517585950C00041347293299
serineSerineME6518585951C00065395020218
aspartic acidAspartic acidME6517675960C00049480387232
glutamineGlutamineME6517975961C00064600315156
lysineLysineME6518185962C00047663483156
fructoseFructoseME6517895984C02336639442307
sucroseSucroseME6518645988C00089915139271
cholesterolCholesterolME6517765997C00187486729156
tyrosineTyrosineME6518736057C00082671252218
adenosine-5-monophosphateAMPME6517566083C000201038688169
leucineLeucineME6518166106C00123741335223
methionineMethionineME6518266137C00073483560176
phenylalaninePhenylalanineME6518466140C00079537804218
cytidineCytidineME6517836175C00475937026223
ornithine 4tmsOrnithineME6518376262C00077619548142
asparagineAsparagineME6517666267C00152553078188
histidineHistidineME6518066274C00135663739154
valineValineME6518776287C00183788356117
threonineThreonineME6518686288C00188409568218
tryptophanTryptophanME6518726305C00078780482202
isoleucineIsoleucineME6518126306C00407359251158
xylitolXylitolME6518786912C00379567437217
gluconic acid lactoneGluconolactoneME6517947027C00198645815220
oxoprolineOxoprolineME6518407405C01879346514205
pelargonic acidPelargonic acidME6518448158C01601399229117
dodecanolDodecanolME6517868193C02277507619243
behenic acidBehenic acidME6517698215C08281920648117
octadecanolStearyl alcoholME6518358221D01924755409327
shikimic acidShikimic acidME6518598742C00493611100204
4-hydroxybutyric acid4-Hydroxybutyric acidME65175210413C00989325027233
propane-1,3-diol NISTPropane-1,3-diolME65185110442C02457214380177
heptadecanoic acidMargaric acidME65180310465-751309117
arachidic acidArachidic acidME65176410467C06425856421117
gluconic acidGluconic acidME65179310690C00800693148333
myristic acidMyristic acidME65182911005C06424634414117
2-hydroxybutanoic acid2-Hydroxybutyric acidME65174511266C05984259826131
methanolphosphateMethanolphosphateME65182513130-289520241
mannoseMannoseME65182418950C00159508594198
1-monostearinMG 18:0/0:0/0:0ME65174124699D01947959214129
glutamic acidGlutamic acidME65179633032C00025619803273
saccharic acidGlucaric acidME65185633037C00818699211333
diglycerolDiglycerolME65178542953-591074103
1,5-anhydroglucitol1,5-AnhydrosorbitolME65173964960C07326633969217
parabanic acid NISTParabanic acidME65184367126C00802464991100
n-acetylglutamateN-Acetylglutamic acidME65183070914C00624477776158
indole-3-lactateIndolelactic acidME65180992904C02043764586202
alloxanoic acid 4tms NISTAlloxanoic acidME65176094146-584472331
lactamideLactamideME65181494220-265698232
2-hydroxyvaleric acid2-Hydroxyvaleric acidME65174798009-309587131
aminomalonateAminomalonic acidME651763100714C00872455754218
glucoheptuloseGlucoheptuloseME651792102926C02076828606217
2,4-diaminobutyric acid minor12,4-Diaminobutyric acidME651742134490C03283441621100
xyloseXyloseME651879135191C00181543267103
prolineProlineME651850145742C00148364716142
threonic acidThreonic acidME651867151152C01620497572292
hexuronic acidHexuronic acidME651805152867-667373160
isoheptadecanoic acid NIST15-Methylpalmitic acidME651811164860-737927117
threitolThreitolME651866169019C16884467595217
2-deoxytetronic acid NIST3,4-Dihydroxybutyric acidME651743192742-390517117
erythritolErythritolME651787222285C00503471922217
malic acidMalic acidME651821222656C00711463180233
cellobioseCellobioseME651774439186C01971932179204
maltose 1MaltoseME651823439186C00208946601204
glyceric acidGlyceric acidME651799439194C00258856790117
lyxitolL-ArabitolME651819439255C00532573587217
cystathionine 4tms nistCystathionineME651779439258C02291772979218
N-acetylmannosamine minorN-Acetyl-mannosamineME651831439281C00645735323319
cysteine-glycineCys-GlyME651781439498C01419715335220
fucose 1FucoseME651790439650C02095578299160
n-epsilon-trimethyllysineN-6-TrimethyllysineME651832440120C03793512366118
maleic acidMaleic acidME651820444266C01384363611245
arachidonic acidArachidonic acidME651765444899C0021983433991
fumaric acidFumaric acidME651791444972C00122390775245
palmitoleic acidPalmitoleic acidME651842445638C08362706508117
oleic acidOleic acidME651836445639C0071277912098
tocopherol alpha-alpha-TocopherolME651870638015C003761067809237
aconitic acidcis-Aconitic acidME651755643757C00417586815229
1-monopalmitinMG 16:0/0:0/0:0ME6517403084463C01885901749129
isothreonic acid 1D-Threonic acidME6518135280363C00639489385292
linoleic acidLinoleic acidME6518175280450C01595777414150
N-methylalanineN-MethylalanineME6518345288725C02721777348337
trans-4-hydroxyprolinetrans-4-HydroxyprolineME65187111137200C01157484934140
hydroxycarbamate NISTHydroxycarbamic acidME65180716639161-325948278
2-hydroxy-2-methylbutanoic acid2-Hydroxy-2-methyl-butyric acidME65174458103944-264833145


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