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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-AnhydrosorbitolME05344164960C07326633969217
1-monopalmitinMG 16:0/0:0/0:0ME0534423084463C01885901749129
1-monostearinMG 18:0/0:0/0:0ME01775024699D01947959214129
2,4-diaminobutyric acid minor12,4-Diaminobutyric acidME053436134490C03283441621100
2-deoxytetronic acid NIST2,4-Dihydroxybutanoic acidME053440192742-390517117
2-hydroxy-2-methylbutanoic acid2-Hydroxy-2-methyl-butyric acidME05343958103944-264833145
2-hydroxybutanoic acid2-Hydroxybutyric acidME01597111266C05984259826131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME05343843C02630506306247
2-hydroxyvaleric acid2-Hydroxyvaleric acidME05343798009-309587131
2-ketoisocaproic acidKetoleucineME01584470C00233339553116
3-hydroxybutanoic acid3-Hydroxybutyric acidME053435441C0108278969177
3-hydroxybutyric acid3-Hydroxybutyric acidME053434441C01089278829191
3-phosphoglycerate3-Phosphoglyceric acidME053433724C00597610734227
4-hydroxybutyric acid4-Hydroxybutyric acidME05343210413C00989325027233
5-methoxytryptamine5-MethoxytryptamineME0534311833C05659864466174
acetoacetateAcetoacetic acidME05343096C0016425245189
aconitic acidcis-Aconitic acidME053429643757C00417586815229
adenosine-5-monophosphateAMPME0172196083C000201038688169
adipic acidAdipic acidME053428196C06104474435111
alanineAlanineME0158505950C00041347293299
allantoic acid (dehydrated) 4TMS majorAllantoic acidME053427203C00499647453331
alloxanoic acid 4tms NISTAlloxanoic acid 4tms NISTME05342694146-584472331
alpha-aminoadipic acidAminoadipic acidME053425469C00956571057260
alpha-ketoglutarateOxoglutaric acidME05342451C00026507392198
aminomalonateAminomalonic acidME053423100714C00872455754218
arachidic acidArachidic acidME05342210467C06425856421117
arachidonic acidArachidonic acidME017215444899C0021983433991
asparagineAsparagineME0534216267C00152553078188
aspartic acidAspartic acidME0534205960C00049480387232
azelaic acidAzelaic acidME0534192266C08261610651317
behenic acidBehenic acidME0534188215C08281920648117
benzoic acidBenzoic acidME017213243C00180339067179
beta-alaninebeta-AlanineME053417239C00099435564248
capric acidCapric acidME0534162969C01571451790229
caprylic acidCaprylic acidME053415379C06423343457201
cellobioseCellobioseME053414439186C01971932179204
cholestan-3-olEpi-cholestanolME0534133240C129781082070215
cholesterolCholesterolME0158575997C00187486729156
citric acidCitric acidME053412311C00158617342273
creatinineCreatinineME015878588C007911077048129
cystathionine 4tms nistCystathionineME053411439258C02291772979218
cysteineCysteineME053410594C00097500158220
cysteine-glycineCys-GlyME053409439498C01419715335220
cystineCystineME017210595C01420804619218
cytidine CytidineME0534086175C00475937026223
cytosinCytosineME053407597C00380486724254
diglycerolDiglycerolME05340642953-591074103
dodecanolDodecanolME0172078193C02277507619243
erythritolErythritolME017205222285C00503471922217
ethanolamineEthanolamineME017204700C00189344719174
fructoseFructoseME0534055984C02336639442307
fucose 1FucoseME053404439650C02095578299160
fumaric acidFumaric acidME053403444972C00122390775245
glucoheptuloseGlucoheptuloseME053402102926C02076828606217
gluconic acidGluconic acidME05340110690C00800693148333
gluconic acid lactoneGluconolactoneME0172017027C00198645815220
glucoseGlucoseME0534005793C00221654125319
glutamic acidGlutamic acidME01587733032C00025619803273
glutamineGlutamineME0533995961C00064600315156
glutaric acidGlutaric acidME053398743C00489421260261
glyceric acidGlyceric acidME015886439194C00258856790117
glycerolGlycerolME015860753C00116779249339
glycineGlycineME053397750C00037368707248
glycolic acidGlycolic acidME017198757C00160227636177
heptadecanoic acidMargaric acidME01719610465-751309117
hexitolSorbitolME015840453C00392411756218
hexuronic acidHexuronic acidME053396152867-667373160
histidineHistidineME0533956274C00135663739154
hydroxycarbamate NISTHydroxycarbamic acidME05339416639161-325948278
hydroxylamineHydroxylamineME017195787C00192253158146
indole-3-lactateIndolelactic acidME05339392904C02043764586202
isocitric acidIsocitric acidME0533921198C00451617338245
isoheptadecanoic acid NIST15-Methyl palmitic acidME053391164860-737927117
isoleucineIsoleucineME0171936306C00407359251158
isothreonic acid 1PGF2alphaME0533905280363C00639489385292
lactamideLactamideME05338994220-265698232
lauric acidLauric acidME0533883893C02679547906117
leucineLeucineME0158496106C00123741335223
linoleic acidLinoleic acidME0171895280450C01595777414150
lysineLysineME0533875962C00047663483156
lyxitolL-ArabitolME053386439255C00532573587217
maleic acidMaleic acidME053385444266C01384363611245
malic acidMalic acidME017188222656C00711463180233
malonic acidMalonic acidME053384867C00383305372233
maltose 1MaltoseME017187439186C00208946601204
mannoseMannoseME01588918950C00159508594198
methanolphosphateMethanolphosphateME05338313130-289520241
methionineMethionineME0533826137C00073483560176
methionine sulfoxideMethionine sulfoxideME053381847C02989637588128
myo-inositolMyo-inositolME053380892C00137730022305
myristic acidMyristic acidME01718211005C06424634414117
n-acetylglutamateN-Acetylglutamic acidME05337970914C00624477776158
N-acetylmannosamine minorN-Acetyl-mannosamineME053378439281C00645735323319
n-epsilon-trimethyllysineN-6-TrimethyllysineME053377440120C03793512366118
nicotinic acidNicotinic acidME053376938C00253353934180
N-methylalanineN-MethylalanineME0158665288725C02721777348337
octadecanolStearyl alcoholME0171818221D01924755409327
oleic acidOleic acidME017206445639C0071277912098
ornithine 4tmsOrnithineME0171796262C00077619548142
orotic acidOrotic acidME053375967C00295586317254
oxalic acidOxalic acidME053374971C00209260513190
oxoprolinePyroglutamic acidME0158727405C01879346514205
palmitic acidPalmitic acidME053373985C00249713809313
palmitoleic acidPalmitoleic acidME017177445638C08362706508117
parabanic acid NISTParabanic acidME05337267126C00802464991100
pelargonic acidPelargonic acidME0171758158C01601399229117
phenylacetic acidPhenylacetic acidME053371999C07086368081164
phenylalaninePhenylalanineME0533706140C00079537804218
phenylethylaminePhenylethylamineME0533691001C05332510327174
phosphatePhosphoric acidME0158321004C00009891860149
phosphoethanolaminePhosphoethanolamineME0533681015C00346603912299
prolineProlineME053367145742C00148364716142
propane-1,3-diol NISTPropane-1,3-diolME05336610442C02457214380177
putrescinePutrescineME0171731045C00138588872174
pyrophosphate TMS4PyrophosphateME0533651023C00013549019451
pyruvic acidPyruvic acidME0533641060C00022211668174
riboseRiboseME0533635779C00121553135217
saccharic acidGlucaric acidME05336233037C00818699211333
salicylic acidSalicylic acidME017171338C00805480699267
serineSerineME0171705951C00065395020218
shikimic acidShikimic acidME0533618742C00493611100204
sorbitolSorbitolME053360453C00794667922217
stearic acidStearic acidME0158355281C01530329250100
succinate semialdehydeSuccinic acid semialdehydeME0533591112C00232297024113
succinic acidSuccinic acidME0533581110C00042370608247
sucroseSucroseME0533575988C00089915139271
taurineTaurineME0533561123C00245556690326
threitolThreitolME053355169019C16884467595217
threonic acidD-Threonic acidME053354151152C01620497572292
threonineThreonineME0533536288C00188409568218
thymidineThymidineME0533525789C00214349402170
tocopherol alpha-RetinalME017217638015C003761067809237
trans-4-hydroxyprolinetrans-4-HydroxyprolineME05335111137200C01157484934140
tryptophanTryptophanME0533506305C00078780482202
tyrosineTyrosineME0171656057C00082671252218
uracilUracilME0533491174C00106385816241
urea 3TMSUreaME0533481176C00086290193171
uric acidUric acidME0533471175C00366730691441
valineValineME0158416287C00183788356117
xylitolXylitolME0533466912C00379567437217
xyloseXyloseME017158135191C00181543267103


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