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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
phosphatePhosphoric acidME6528271004C00009345365314
pyruvic acidPyruvic acidME6528321060C00022211003174
glutamic acidGlutamic acidME65276833032C00025529100246
alpha-ketoglutarate2-Oxoglutaric acidME65273751C00026507392198
glycineGlycineME652774750C00037368707248
alanineAlanineME6527365950C00041243971116
succinic acidSuccinic acidME6528381110C00042370608247
lysineLysineME6527975962C00047663483156
aspartic acidAspartic acidME6527415960C00049480387232
glutamineGlutamineME6527695961C00064600315156
serineSerineME6528355951C00065395020218
methionineMethionineME6528066137C00073483560176
ornithine 4tmsOrnithineME6528166262C00077619548142
tryptophanTryptophanME6528486305C00078780482202
phenylalaninePhenylalanineME6528256140C00079537804218
tyrosineTyrosineME6528496057C00082671252218
ureaUreaME6528521176C00086328888189
sucroseSucroseME6528395988C00089915139271
cysteineCysteineME652753594C00097500158220
beta-alaninebeta-AlanineME652744239C00099435564248
uracilUracilME6528511174C00106385816241
glycerolGlycerolME652771753C00116344466205
riboseRiboseME6528345779C00121553135217
fumaric acidFumaric acidME652763444972C00122390775245
leucineLeucineME6527936106C00123346101158
histidineHistidineME6527796274C00135663790154
myo-inositolMyo-inositolME652808892C00137730022305
phenolPhenolME652823996C00146218927151
prolineProlineME652830145742C00148364716142
asparagineAsparagineME6527406267C00152553078188
citric acidCitric acidME652749311C00158617342273
mannoseMannoseME65280418950C00159645856205
glycolic acidGlycolic acidME652775757C00160227636177
UDP-glucuronic acidUDP-glucuronic acidME65285017473C00167587601217
benzoic acidBenzoic acidME652743243C00180339214179
xyloseXyloseME652858135191C00181543267103
valineValineME6528556287C00183313502144
cholesterolCholesterolME6527485997C001871078536329
threonineThreonineME6528446288C00188409568218
ethanolamineEthanolamineME652760700C00189344719174
hydroxylamineHydroxylamineME652780787C00192255241146
maltose 1MaltoseME652801439186C00208946601204
oxalic acidOxalic acidME652817971C00209260513190
adenosineAdenosineME65273560961C00212918039236
arachidonic acidArachidonic acidME652739444899C0021983433991
glucoseGlucoseME6527675793C00221659798319
2-ketoisocaproic acidKetoleucineME65272670C0023331076189
taurineTaurineME6528411123C00245556690326
palmitic acidPalmitic acidME652819985C00249713809313
glyceric acidGlyceric acidME652770439194C00258377495189
hypoxanthineHypoxanthineME652781790C00262619128265
inosineInosineME6527846021C00294897184230
uridineUridineME6528546029C00299856709224
xylulose NISTXyluloseME6528595289590C00312553450173
citrullineCitrullineME6527509750C00327621404157
uric acidUric acidME6528531175C00366730691441
tocopherol alpha-alpha-TocopherolME652845638015C003761067809237
xylitolXylitolME6528576912C00379567437217
xanthineXanthineME6528561188C00385701688353
hexitolSorbitolME652777453C00392704741217
mannitolMannitolME6528036251C00392663215319
isoleucineIsoleucineME6527876306C00407359251158
pipecolinic acidPipecolic acidME652828849C00408404121156
aconitic acidcis-Aconitic acidME652734643757C00417586815229
isocitric acidIsocitric acidME6527851198C00451616323245
erythritolErythritolME652759222285C00503471922217
lyxitolL-ArabitolME652798439255C00532573587217
n-acetylglutamateN-Acetylglutamic acidME65281170914C00624477776158
isothreonic acid 1D-Threonic acidME6527885280363C00639489385292
malic acidMalic acidME652800222656C00711463180233
oleic acidOleic acidME652815445639C00712779120339
creatinineCreatinineME652752588C00791502599115
sorbitolSorbitolME652836453C00794667922217
tagatoseD-TagatoseME6528401101C00795627414307
gluconic acidGluconic acidME65276610690C00800693148333
aminomalonateAminomalonic acidME652738100714C00872455754218
galactonic acidGalactonic acidME652764128869C00880690882292
indole-3-acetateIndoleacetic acidME652782802C00954684929202
3-hydroxybutyric acid3-Hydroxybutyric acidME652731441C01089278829191
trans-4-hydroxyprolinetrans-4-HydroxyprolineME65284711137200C01157484934140
cysteine-glycineCys-GlyME652754439498C01419715335220
cystineCystineME652755595C01420804619218
lactic acidLactic acidME652790107689C01432217657191
p-cresolP-CresolME6528212879C01468280360165
stearic acidStearic acidME6528375281C01530787622117
capric acidCapric acidME6527462969C01571452386229
linoleic acidLinoleic acidME6527955280450C01595777414150
pelargonic acidPelargonic acidME6528228158C01601399229117
threonic acidThreonic acidME652843151152C01620497572292
ribonic acidRibonic acidME6528335460677C01685599680292
maltotrioseMaltotrioseME652802439586C018351176972361
oxoprolineOxoprolineME6528187405C01879485935156
1-monopalmitinMG 16:0/0:0/0:0ME6527193084463C01885901749129
indole-3-lactateIndolelactic acidME65278392904C02043764586202
pseudo uridinePseudouridineME65283115047C02067813899217
glucoheptuloseGlucoheptuloseME652765102926C02076828606217
fucose 1FucoseME652762439650C02095578299160
dodecanolDodecanolME6527578193C02277507619243
fructoseFructoseME6527615984C02336641863307
tocopherol gamma-gamma-TocopherolME65284692729C024831026121223
2-hydroxyglutaric acid2-Hydroxyglutaric acidME65272443C02630506306247
lauric acidLauric acidME6527923893C02679547906117
N-methylalanineN-MethylalanineME6528135288725C02721288133130
methionine sulfoxideMethionine sulfoxideME652807847C02989637588128
butane-2,3-diol NIST2,3-ButanediolME652745262C03046205778117
glycerol-alpha-phosphatesn-Glycero-3-phosphateME652773754C03189590747357
n-acetyl-d-hexosamineN-AcetylhexosamineME65281024139C03878746341319
3-aminoisobutyric acid3-Aminoisobutanoic acidME65273064956C05145309837102
phenylethylaminePhenylethylamineME6528261001C05332510327174
glycerol-3-galactosideGalactosylglycerolME65277216048618C05401805227204
melibioseMelibioseME652805440658C05402988497361
5-methoxytryptamine5-MethoxytryptamineME6527331833C05659864466174
2-hydroxybutanoic acid2-Hydroxybutyric acidME65272311266C05984258161131
caprylic acidCaprylic acidME652747379C06423343457201
myristic acidMyristic acidME65280911005C06424634414117
linolenic acidOctadecatrienoic acidME6527965280934C06427780376108
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME65272816069996C06474590619231
3,6-anhydro-D-glucose3,6-Anhydro-glucoseME65272916069993C06478587617231
epsilon-caprolactamEpsilon-caprolactamME6527587768C06593353069170
lactuloseLactuloseME6527913278275C07064929908204
phenylacetic acidPhenylacetic acidME652824999C07086368081164
maleimideMaleimideME65279910935C07272245118154
1,5-anhydroglucitol1,5-AnhydrosorbitolME65271764960C07326633969217
behenic acidBehenic acidME6527428215C08281920648117
palmitoleic acidPalmitoleic acidME652820445638C08362706508117
3-(3-hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME65272791C11457583925192
dehydroabietic acidDehydroabietic acidME65275615618C12078850374239
threitolThreitolME652842169019C16884467595217
oleamide NISTOleamideME6528145283387C19670849710144
1-monostearinMG 18:0/0:0/0:0ME65272024699D01947959214129
1-monooleinMG 18:1(9Z)/0:0/0:0ME6527185319879-952623129
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME65272113120901-384796292
2-deoxytetronic acid NIST3,4-Dihydroxybutyric acidME652722192742-390517117
2-hydroxyvaleric acid2-Hydroxyvaleric acidME65272598009-309587131
5-hydroxynorvaline NISTL-2-Amino-5-hydroxypentanoic acidME65273295562-494077142
conduritol-beta-epoxideConduritol epoxideME6527519989541-675635318
heptadecanoic acidMargaric acidME65277610465-751309117
hexuronic acidHexuronic acidME652778152867-667373160
isoheptadecanoic acid NIST15-Methylpalmitic acidME652786164860-737927117
lactamideLactamideME65278994220-265698232
levoglucosanGlucosanME6527942724705-569637204
N-acetylglycine NISTN-AcetylglycineME65281210972-356109174
piperidone2-PiperidinoneME65282912665-275603156


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