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Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
parabanic acid NISTParabanic acidME226652---100
3-aminoisobutyric acid3-Aminoisobutanoic acidME226763---102
xyloseXyloseME226603---103
creatinineCreatinineME226731---115
diacetone alcohol NISTDiacetone alcoholME226726---115
alanineAlanineME226753---116
alanine-alanineAla-AlaME226752---116
2-deoxytetronic acid NIST3,4-Dihydroxybutyric acidME226769---117
arachidic acidArachidic acidME226748---117
heptadecanoic acidMargaric acidME226700---117
lauric acidLauric acidME226682---117
myristic acidMyristic acidME226670---117
palmitoleic acidPalmitoleic acidME226654---117
pelargonic acidPelargonic acidME226651---117
pentadecanoic acidPentadecylic acidME226650---117
stearic acidStearic acidME226625---117
1,2-cyclohexanedioneCyclohexane-1,2-dioneME226777---129
1-monooleinMG 18:1(9Z)/0:0/0:0ME226771---129
1-monostearinMG 18:0/0:0/0:0ME226770---129
2-monooleinMG 0:0/18:1(9Z)/0:0ME226766---129
beta-sitosterolSitosterolME226740---129
cholesterolCholesterolME226735---129
N-methylalanineN-MethylalanineME226663---130
butyrolactam NIST2-PyrrolidinoneME226738---142
ornithineOrnithineME226659---142
prolineProlineME226640---142
spermidineSpermidineME226626---144
valineValineME226607---144
hydroxylamineHydroxylamineME226692---146
linoleic acidLinoleic acidME226680---150
phenolPhenolME226648---151
histidineHistidineME226695---154
glutamineGlutamineME226709---156
lysineLysineME226679---156
oxoprolineOxoprolineME226656---156
citrullineCitrullineME226733---157
isoleucineIsoleucineME226686---158
leucineLeucineME226681---158
N-acetylglutamateN-Acetylglutamic acidME226667---158
fucoseFucoseME226717---160
hexuronic acidHexuronic acidME226697---160
adenosine-5-monophosphateAMPME226754---169
cytidine-5-monophosphate NISTCMPME226728---169
inosine 5'-monophosphateIMPME226688---169
uridine-5'-monophosphateUMPME226608---169
dehydroascorbic acidL-Dehydroascorbic acidME226727---173
xylulose NISTXyluloseME226602---173
5-methoxytryptamine5-MethoxytryptamineME226757---174
ethanolamineEthanolamineME226721---174
N-acetylglycine NISTN-AcetylglycineME226666---174
N-acetylputrescineN-AcetylputrescineME226665---174
phenylethylaminePhenylethylamineME226646---174
putrescinePutrescineME226636---174
pyruvic acidPyruvic acidME226634---174
methionineMethionineME226673---176
glycolic acidGlycolic acidME226702---177
propane-1,3-diol NISTPropane-1,3-diolME226639---177
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME226759---179
nicotinamideNiacinamideME226664---179
p-tolyl glucuronideP-Cresol glucuronideME226637---180
octanol NISTn-OctanolME226661---187
asparagineAsparagineME226746---188
glyceric acidGlyceric acidME226707---189
ureaUreaME226611---189
oxalic acidOxalic acidME226657---190
3-hydroxybutyric acid3-Hydroxybutyric acidME226762---191
lactic acidLactic acidME226683---191
3-(3-hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME226765---192
dodecanoic acid, isopropanol ester NIST-ME226724---200
N-acetyl-D-galactosamineN-Acetyl-D-galactosamineME226669---202
tryptophanTryptophanME226616---202
1-methylgalactose NIST-ME226773---204
beta-gentiobiosebeta-GentiobioseME226742---204
galactinolGalactinolME226714---204
glycerol-3-galactosideGalactosylglycerolME226705---204
maltoseMaltoseME226676---204
glycerolGlycerolME226706---205
mannoseMannoseME226675---205
hippuric acidHippuric acidME226696---206
phosphoenolpyruvatePhosphoenolpyruvic acidME226644---211
cholestan-3-olEpi-cholestanolME226736---215
1,5-anhydroglucitol1,5-AnhydrosorbitolME226776---217
enolpyruvate NISTPhosphoenolpyruvic acidME226723---217
erythritolErythritolME226722---217
hexitolSorbitolME226699---217
hexonic acidGluconic acidME226698---217
lyxitolL-ArabitolME226678---217
pseudo uridinePseudouridineME226638---217
ribitolRibitolME226632---217
riboseRiboseME226630---217
sorbitolSorbitolME226627---217
threitolThreitolME226620---217
UDP-glucuronic acidUDP-glucuronic acidME226614---217
uridineUridineME226609---217
xylitolXylitolME226604---217
aminomalonateAminomalonic acidME226749---218
cystineCystineME226729---218
homoserineHomoserineME226694---218
phenylalaninePhenylalanineME226647---218
serineSerineME226628---218
threonineThreonineME226618---218
tyrosineTyrosineME226615---218
cysteineCysteineME226730---220
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME226613---226
3-phosphoglycerate3-Phosphoglyceric acidME226761---227
sulfuric acidTG 16:0_18:1_18:1ME226622---227
aconitic acidcis-Aconitic acidME226756---229
capric acidCapric acidME226737---229
inosineInosineME226689---230
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME226764---231
aspartic acidAspartic acidME226745---232
lactamideLactamideME226684---232
malic acidMalic acidME226677---233
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME226758---236
adenosineAdenosineME226755---236
tocopherol alpha-alpha-TocopherolME226617---237
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME226778---241
methanolphosphateMethanolphosphateME226674---241
uracilUracilME226612---241
beta-glycerolphosphatesn-Glycero-2-phosphateME226741---243
fumaric acidFumaric acidME226716---245
glutamic acidGlutamic acidME226710---246
2-hydroxyglutaric acid2-Hydroxyglutaric acidME226768---247
succinic acidSuccinic acidME226624---247
beta-alaninebeta-AlanineME226743---248
glycineGlycineME226703---248
orotic acidOrotic acidME226658---254
1-methyladenosine1-MethyladenosineME226774---259
1-methylinosine NIST1-MethylinosineME226772---259
allantoic acidAllantoic acidME226751---259
alpha-aminoadipic acidalpha-Aminoadipic acidME226750---260
pinitolPinitolME226641---260
glutaric acidGlutaric acidME226708---261
hypoxanthineHypoxanthineME226691---265
sucroseSucroseME226623---271
citric acidCitric acidME226734---273
indoxyl sulfateIndoxyl sulfateME226690---277
hydroxycarbamate NISTHydroxycarbamic acidME226693---278
pantothenic acidPantothenic acidME226653---291
galactonic acidGalactonic acidME226713---292
isothreonic acidD-Threonic acidME226685---292
ribonic acidRibonic acidME226631---292
threonic acidThreonic acidME226619---292
4-hydroxyhippuric acid NIST4-Hydroxyhippuric acidME226760---294
bisphosphoglycerol NIST-ME226739---299
phosphoethanolaminePhosphoethanolamineME226643---299
phosphogluconic acidPhosphogluconic acidME226642---299
myo-inositolMyo-inositolME226671---305
fructoseFructoseME226720---307
palmitic acidPalmitic acidME226655---313
phosphatePhosphoric acidME226645---314
fructose-6-phosphateFructose 6-phosphateME226718---315
inositol-4-monophosphateInositol 4-phosphateME226687---315
azelaic acidAzelaic acidME226744---317
conduritol-beta-epoxideConduritol epoxideME226732---318
glucoseGlucoseME226712---319
N-acetyl-D-hexosamineN-AcetylhexosamineME226668---319
guanosineGuanosineME226701---324
taurineTaurineME226621---326
octadecanolStearyl alcoholME226662---327
mucic acidGalactaric acidME226672---333
saccharic acidGlucaric acidME226629---333
oleic acidOleic acidME226660---339
xanthineXanthineME226606---353
glycerol-alpha-phosphatesn-Glycero-3-phosphateME226704---357
1-kestose1-KestoseME226775---361
raffinoseRaffinoseME226633---361
fructose-1-phosphateFructose 1-phosphateME226719---387
glucose-6-phosphateGlucose 6-phosphateME226711---387
xanthurenic acidXanthurenic acidME226605---406
uric acidUric acidME226610---441
pyrophosphatePyrophosphateME226635---451
2-ketobutyric acid3-Methyl pyruvic acidME226767---89
arachidonic acidArachidonic acidME226747---91
doconexent NISTDHAME226725---91
phenaceturic acidPhenylacetylglycineME226649---91
furoylglycine NIST2-FuroylglycineME226715---95


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