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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-monooleinMG 18:1(9Z)/0:0/0:0ME05400053198790952623129
1-monopalmitinMG 16:0/0:0/0:0ME0534423084463C01885901749129
1-monostearinMG 18:0/0:0/0:0ME01775024699D01947959214129
2,3-dihydroxypyridine2,3-DihydroxypyridineME053921281150373895240
2,5-dihydroxypyrazine NIST-ME01773523368901-397526241
2-deoxytetronic acid NIST-ME053440192742-390517117
2-hydroxybutanoic acid2-Hydroxybutyric acidME05399811266C05984259536131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME05343843C02630506306247
2-ketoisocaproic acidKetoleucineME05391970C0023331076189
3-hydroxybutyric acid3-Hydroxybutyric acidME053434441C01089278829191
3-phosphoglycerate3-Phosphoglyceric acidME053433724C00597610734227
5-aminovaleric acid5-Aminopentanoic acidME053916138C00431536657174
acetophenone NIST-ME0539977410C07113238615105
adenosineAdenosineME01722060961C00212918039236
adenosine-5-monophosphateAMPME0172196083C000201038688169
adipic acidAdipic acidME053428196C06104474435111
alanineAlanineME0172185950C00041243971116
alpha-ketoglutarateOxoglutaric acidME05342451C00026507392198
aminomalonateAminomalonic acidME053423100714C00872455754218
arachidic acidArachidic acidME05342210467C06425856421117
arachidonic acidArachidonic acidME017215444899C0021983433991
asparagineAsparagineME0534216267C00152553078188
aspartic acidAspartic acidME0534205960C00049480387232
azelaic acidAzelaic acidME0534192266C08261610651317
behenic acidBehenic acidME0534188215C08281920648117
benzoic acidBenzoic acidME053995243C00180339214179
beta-alaninebeta-AlanineME053417239C00099435564248
capric acidCapric acidME0534162969C01571451790229
caprylic acidCaprylic acidME053415379C06423343457201
cholesterolCholesterolME0539015997C001871078536329
cis-gondoic acidcs-Gondoic acidME0539645282768C16526847372367
citric acidCitric acidME053412311C00158617342273
citrullineCitrullineME0538999750C00327621404157
conduritol-beta-epoxideConduritol epoxideME05399499895410675635318
creatinineCreatinineME053898588C00791502599115
cysteineCysteineME053410594C00097500158220
cystineCystineME017210595C01420804619218
cytidine-5-monophosphate NISTCMPME0539936131C00055974825169
dehydroabietic acidDehydroabietic acidME05396015618C12078850374239
dodecanolDodecanolME0172078193C02277507619243
epsilon-caprolactamEpsilon-caprolactamME0539587768C06593353069170
erythritolErythritolME017205222285C00503471922217
ethanolamineEthanolamineME017204700C00189344719174
fructoseFructoseME0538915984C02336641863307
fucose 1FucoseME053404439650C02095578299160
fumaric acidFumaric acidME017203444972C00122390016245
gluconic acidGluconic acidME05340110690C00800693148333
glucoseGlucoseME0538845793C00221659798319
glucose-6-phosphateGlucose 6-phosphateME0539895958C01172810287387
glutamic acidGlutamic acidME05388133032C00025529100246
glutamineGlutamineME0533995961C00064600315156
glutaric acidGlutaric acidME053398743C00489421260261
glyceric acidGlyceric acidME053879439194C00258377495189
glycerolGlycerolME053878753C00116344466205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME053876754C03189590747357
glycineGlycineME053397750C00037368707248
glycolic acidGlycolic acidME017198757C00160227636177
guanineGuanineME053988764C00242744307352
guanosineGuanosineME0539526802C00387954962324
heptadecanoic acidMargaric acidME01719610465-751309117
hexitolSorbitolME053873453C00392704741217
hexuronic acidHexuronic acidME053396152867-667373160
histidineHistidineME0538716274C00135663790154
hydroxycarbamate NIST-ME05339416639161-325948278
hydroxylamineHydroxylamineME017195787C00192253158146
hypoxanthineHypoxanthineME053868790C00262619128265
inosineInosineME0539486021C00294897184230
isoheptadecanoic acid NIST-ME053391164860-737927117
isoleucineIsoleucineME0171936306C00407359251158
isothreonic acid 1PGF2alphaME0533905280363C00639489385292
lactamideLactamideME05338994220-265698232
lauric acidLauric acidME0533883893C02679547906117
leucineLeucineME0538566106C00123346101158
linoleic acidLinoleic acidME0171895280450C01595777414150
lysineLysineME0533875962C00047663483156
lyxitolL-ArabitolME053386439255C00532573587217
malic acidMalic acidME017188222656C00711463180233
maltose 1MaltoseME017187439186C00208946601204
maltotrioseMaltotrioseME053985439586C018351176044361
mannoseMannoseME05394418950C00159645856205
methionineMethionineME0533826137C00073483560176
myo-inositolMyo-inositolME053380892C00137730022305
myristic acidMyristic acidME01718211005C06424634414117
nicotinamideNiacinamideME053941936C00153471602179
N-methylalanineN-MethylalanineME0539845288725C02721286855130
nonadecanoic acidNonadecylic acidME05398312591C16535822782117
octadecanolStearyl alcoholME0171818221D01924755409327
oleic acidOleic acidME053893445639C00712779120339
ornithineOrnithineME0538406262C00077527113142
oxalic acidOxalic acidME053374971C00209260513190
oxoprolinePyroglutamic acidME0538387405C01879485935156
palmitic acidPalmitic acidME053373985C00249713809313
palmitoleic acidPalmitoleic acidME017177445638C08362706508117
p-cresolP-CresolME0538332879C01468280360165
pelargonic acidPelargonic acidME0171758158C01601399229117
pentadecanoic acidPentadecylic acidME05398213849C16537674647117
phenylalaninePhenylalanineME0533706140C00079537804218
phosphoethanolaminePhosphoethanolamineME0539381015C00346604335299
prolineProlineME053367145742C00148364716142
propane-1,3-diol NIST-ME05336610442C02457214380177
pseudo uridinePseudouridineME05398115047C02067813899217
putrescinePutrescineME0538261045C00138588119174
pyrophosphatePyrophosphateME053980644102C00013326948110
pyruvic acidPyruvic acidME0533641060C00022211668174
riboseRiboseME0533635779C00121553135217
salicylaldehyde2-HydroxybenzaldehydeME0539796998C06202406586119
serineSerineME0171705951C00065395020218
sorbitolSorbitolME053360453C00794667922217
spermidineSpermidineME0538171102C00315792924144
squaleneSqualeneME0539335280370C0075197623795
stearic acidStearic acidME0538165281C01530787622117
succinic acidSuccinic acidME0533581110C00042370608247
sucroseSucroseME0533575988C00089915139271
sulfuric acidTrichilin AME0539785462417C00059282411227
taurineTaurineME0533561123C00245556690326
threonic acidD-Threonic acidME053354151152C01620497572292
threonineThreonineME0533536288C00188409568218
tocopherol alpha-RetinalME017217638015C003761067809237
tocopherol beta NISTbeta-tocopherolME0539278989C141521022815223
tocopherol gamma-gamma-TocopherolME05392692729C024831026121223
trans-4-hydroxyprolinetrans-4-HydroxyprolineME05397711137200C01157460061158
tryptophanTryptophanME0533506305C00078780482202
tyrosineTyrosineME0171656057C00082671252218
UDP-glucuronic acidUDP-glucuronic acidME05380817473C00167587601217
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME053976445675C00043623789226
uracilUracilME0538061174C00106385735241
ureaUreaME0539251176C00086328888189
uric acidUric acidME0533471175C00366730691441
uridineUridineME0172096029C00299861508217
valineValineME0538046287C00183313502144
xanthineXanthineME0171591188C00385701688353
xylitolXylitolME0533466912C00379567437217


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