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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
pyrophosphatePyrophosphateME652386644102C00013326948110
adenosine-5-monophosphateAMPME6522986083C000201038688169
pyruvic acidPyruvic acidME6523871060C00022211668174
glutamic acidGlutamic acidME65233333032C00025529100246
alpha-ketoglutarate2-Oxoglutaric acidME65230151C00026507392198
glycineGlycineME652339750C00037368707248
alanineAlanineME6523005950C00041243971116
succinic acidSuccinic acidME6523951110C00042370608247
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME652408445675C00043623789226
lysineLysineME6523585962C00047663483156
aspartic acidAspartic acidME6523065960C00049480387232
cytidine-5-monophosphate NISTCMPME6523216131C00055974825169
sulfuric acidTG 16:0_18:1_18:1ME6523975462417C00059282411227
glutamineGlutamineME6523345961C00064600315156
serineSerineME6523905951C00065395020218
methionineMethionineME6523646137C00073483560176
ornithineOrnithineME6523726262C00077527113142
tryptophanTryptophanME6524056305C00078780482202
phenylalaninePhenylalanineME6523806140C00079537804218
tyrosineTyrosineME6524066057C00082671252218
ureaUreaME6524101176C00086328888189
sucroseSucroseME6523965988C00089915139271
cysteineCysteineME652319594C00097500158220
beta-alaninebeta-AlanineME652310239C00099435564248
uracilUracilME6524091174C00106385735241
glycerolGlycerolME652337753C00116344466205
riboseRiboseME6523885779C00121553135217
fumaric acidFumaric acidME652329444972C00122390016245
leucineLeucineME6523566106C00123346101158
histidineHistidineME6523466274C00135663790154
myo-inositolMyo-inositolME652365892C00137730022305
putrescinePutrescineME6523851045C00138588119174
prolineProlineME652382145742C00148364716142
asparagineAsparagineME6523056267C00152553078188
nicotinamideNiacinamideME652367936C00153471602179
citric acidCitric acidME652315311C00158617342273
mannoseMannoseME65236318950C00159645856205
glycolic acidGlycolic acidME652340757C00160227636177
UDP-glucuronic acidUDP-glucuronic acidME65240717473C00167587601217
benzoic acidBenzoic acidME652309243C00180339214179
valineValineME6524136287C00183313502144
cholesterolCholesterolME6523135997C001871078536329
threonineThreonineME6524006288C00188409568218
ethanolamineEthanolamineME652326700C00189344719174
hydroxylamineHydroxylamineME652348787C00192253158146
maltose 1MaltoseME652361439186C00208946601204
oxalic acidOxalic acidME652373971C00209260513190
adenosineAdenosineME65229760961C00212918039236
arachidonic acidArachidonic acidME652304444899C0021983433991
glucoseGlucoseME6523315793C00221659798319
2-ketoisocaproic acidKetoleucineME65229270C0023331076189
guanineGuanineME652341764C00242744307352
taurineTaurineME6523981123C00245556690326
palmitic acidPalmitic acidME652375985C00249713809313
glyceric acidGlyceric acidME652336439194C00258377495189
hypoxanthineHypoxanthineME652349790C00262619128265
inosineInosineME6523506021C00294897184230
uridineUridineME6524126029C00299861508217
spermidineSpermidineME6523921102C00315792924144
citrullineCitrullineME6523169750C00327621404157
phosphoethanolaminePhosphoethanolamineME6523811015C00346604335299
uric acidUric acidME6524111175C00366730691441
tocopherol alpha-alpha-TocopherolME652401638015C003761067809237
xylitolXylitolME6524156912C00379567437217
xanthineXanthineME6524141188C00385701688353
guanosineGuanosineME6523426802C00387954962324
hexitolSorbitolME652344453C00392704741217
isoleucineIsoleucineME6523526306C00407359251158
5-aminovaleric acid5-Aminopentanoic acidME652295138C00431536657174
glutaric acidGlutaric acidME652335743C00489421260261
erythritolErythritolME652325222285C00503471922217
lyxitolL-ArabitolME652359439255C00532573587217
3-phosphoglycerate3-Phosphoglyceric acidME652294724C00597610734227
isothreonic acid 1D-Threonic acidME6523535280363C00639489385292
malic acidMalic acidME652360222656C00711463180233
oleic acidOleic acidME652371445639C00712779120339
squaleneSqualeneME6523935280370C0075197623795
creatinineCreatinineME652318588C00791502599115
sorbitolSorbitolME652391453C00794667922217
gluconic acidGluconic acidME65233010690C00800693148333
aminomalonateAminomalonic acidME652302100714C00872455754218
3-hydroxybutyric acid3-Hydroxybutyric acidME652293441C01089278829191
trans-4-hydroxyprolinetrans-4-HydroxyprolineME65240411137200C01157460061158
glucose-6-phosphateGlucose 6-phosphateME6523325958C01172810287387
cystineCystineME652320595C01420804619218
p-cresolP-CresolME6523772879C01468280360165
stearic acidStearic acidME6523945281C01530787622117
capric acidCapric acidME6523112969C01571451790229
linoleic acidLinoleic acidME6523575280450C01595777414150
pelargonic acidPelargonic acidME6523788158C01601399229117
threonic acidThreonic acidME652399151152C01620497572292
maltotrioseMaltotrioseME652362439586C018351176044361
oxoprolineOxoprolineME6523747405C01879485935156
1-monopalmitinMG 16:0/0:0/0:0ME6522863084463C01885901749129
pseudo uridinePseudouridineME65238415047C02067813899217
fucose 1FucoseME652328439650C02095578299160
dodecanolDodecanolME6523238193C02277507619243
fructoseFructoseME6523275984C02336641863307
propane-1,3-diol NISTPropane-1,3-diolME65238310442C02457214380177
tocopherol gamma-gamma-TocopherolME65240392729C024831026121223
2-hydroxyglutaric acid2-Hydroxyglutaric acidME65229143C02630506306247
lauric acidLauric acidME6523553893C02679547906117
N-methylalanineN-MethylalanineME6523685288725C02721286855130
glycerol-alpha-phosphatesn-Glycero-3-phosphateME652338754C03189590747357
2-hydroxybutanoic acid2-Hydroxybutyric acidME65229011266C05984259536131
adipic acidAdipic acidME652299196C06104474435111
salicylaldehyde2-HydroxybenzaldehydeME6523896998C06202406586119
caprylic acidCaprylic acidME652312379C06423343457201
myristic acidMyristic acidME65236611005C06424634414117
arachidic acidArachidic acidME65230310467C06425856421117
epsilon-caprolactamEpsilon-caprolactamME6523247768C06593353069170
acetophenone NISTAcetophenoneME6522967410C07113238615105
1,5-anhydroglucitol1,5-AnhydrosorbitolME65228464960C07326633969217
azelaic acidAzelaic acidME6523072266C08261610651317
behenic acidBehenic acidME6523088215C08281920648117
palmitoleic acidPalmitoleic acidME652376445638C08362706508117
dehydroabietic acidDehydroabietic acidME65232215618C12078850374239
tocopherol beta NISTbeta-tocopherolME6524028989C141521022815223
cis-gondoic acidcis-Gondoic acidME6523145282768C16526847372367
nonadecanoic acidNonadecylic acidME65236912591C16535822782117
pentadecanoic acidPentadecylic acidME65237913849C16537674647117
octadecanolStearyl alcoholME6523708221D01924755409327
1-monostearinMG 18:0/0:0/0:0ME65228724699D01947959214129
1-monooleinMG 18:1(9Z)/0:0/0:0ME6522855319879-952623129
2,3-dihydroxypyridine2,3-DihydroxypyridineME65228828115-373895240
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME65228323368901-397526241
2-deoxytetronic acid NIST3,4-Dihydroxybutyric acidME652289192742-390517117
conduritol-beta-epoxideConduritol epoxideME6523179989541-675635318
heptadecanoic acidMargaric acidME65234310465-751309117
hexuronic acidHexuronic acidME652345152867-667373160
hydroxycarbamate NISTHydroxycarbamic acidME65234716639161-325948278
isoheptadecanoic acid NIST15-Methylpalmitic acidME652351164860-737927117
lactamideLactamideME65235494220-265698232


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