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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
adenineAdenineME645418190C00147646534264
benzoic acidBenzoic acidME645425243C00180339067179
citric acidCitric acidME645428311C00158619883273
salicylic acidSalicylic acidME645468338C00805480699267
cystineCystineME645429595C01420804619218
dihydroxyacetoneDihydroxyacetoneME645430670C0018433212089
ethanolamineEthanolamineME645433700C00189344719174
glycine TMS1xGlycineME645440750C00037255803102
glycolic acidGlycolic acidME645441757C00160227636177
hydroxylamineHydroxylamineME645443787C00192253158146
arabitolArabitolME645422827C01904570685217
pipecolinic acidPipecolic acidME645465849C00408404121156
myo-inositolMyo-inositolME645455892C00137731021305
pantothenic acidPantothenic acidME645463988C12276690887291
putrescinePutrescineME6454661045C00138588872174
spermidine TMS 3xSpermidineME6454711102C00315774747174
ureaUreaME6454781176C00086328888171
xanthineXanthineME6454821188C00385701688353
lauric acidLauric acidME6454473893C02679547840117
stearic acidStearic acidME6454725281C01530329250100
alanineAlanineME6454215950C00041243971116
serineSerineME6454695951C00065395020218
serine minorSerineME6454705951C00065338880116
cholesterolCholesterolME6454275997C00187486729156
inosineInosineME6454446021C00294897184129
uridineUridineME6454796029C00299856709224
galactoseGalactoseME6454356036C00984648756319
tyrosineTyrosineME6454766057C00082671252218
tyrosine minor with glucose contaminant ionsTyrosineME6454776057C00082653185179
adenosine-5-monophosphateAMPME6454206083C000201038688169
leucineLeucineME6454486106C00123345845158
mannitolMannitolME6454526251C00392663215319
ornithine 3tms minorOrnithineME6454596262C00077594051174
ornithine 4tmsOrnithineME6454606262C00077619548142
asparagine minorAsparagineME6454246267C00152521869159
valineValineME6454806287C00183309359144
valine 1TMSValineME6454816287C00183239426156
threonine minorThreonineME6454736288C00188360475117
isoleucineIsoleucineME6454456306C00407359251158
ribitolRibitolME6454676912C00474575497217
gluconic acid lactoneGluconolactoneME6454367027C00198645815220
oxoprolineOxoprolineME6454617405C01879490513156
pelargonic acidPelargonic acidME6454648158C01601399814215
dodecanolDodecanolME6454318193C02277507619243
octadecanolStearyl alcoholME6454578221D01924755409327
heptadecanoic acidMargaric acidME64544210465-751309117
myristic acidMyristic acidME64545611005C06424634414117
butyrolactam NIST2-PyrrolidinoneME64542612025C11118277199142
1-monostearinMG 18:0/0:0/0:0ME64541724699D01947959214129
adenosineAdenosineME64541960961C00212918039236
glucose 4tmsGlucoseME64543764689C00221680899217
glucose tms4xGlucoseME64543864689C00221675179217
melezitoseMelezitoseME64545392817C082431146704361
lactic acidLactic acidME645446107689C01432217657191
xyloseXyloseME645483135191C00181546699307
erythritolErythritolME645432222285C00503471922217
malic acidMalic acidME645450222656C00711463180233
maltose 1MaltoseME645451439186C00208946601204
glyceric acidGlyceric acidME645439439194C00258856790117
arachidonic acidArachidonic acidME645423444899C0021983433991
fumaric acidFumaric acidME645434444972C00122390016245
palmitoleic acidPalmitoleic acidME645462445638C08362706508117
oleic acidOleic acidME645458445639C0071277912098
tocopherol alpha-alpha-TocopherolME645474638015C003761067809237
methylmaleic acidCitraconic acidME645454643798C02226418804259
linoleic acidLinoleic acidME6454495280450C01595777414150
trans-4-hydroxyprolinetrans-4-HydroxyprolineME64547511137200C01157460662158
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME64541623368901-397526241


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