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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 acidME132304---100
3-aminoisobutyric acid3-Aminoisobutanoic acidME132404---102
mannitolMannitolME132322---103
xyloseXyloseME132267---103
acetophenone NISTAcetophenoneME132398---105
linolenic acidOctadecatrienoic acidME132328---108
pyrophosphatePyrophosphateME132294---110
adipic acidAdipic acidME132395---111
creatinineCreatinineME132372---115
alanineAlanineME132394---116
asparagineAsparagineME132387---116
2-deoxyerythritol2-DeoxyerythritolME132411---117
2-deoxytetronic acid NIST3,4-Dihydroxybutyric acidME132410---117
arachidic acidArachidic acidME132389---117
capric acidCapric acidME132378---117
fucoseFucoseME132363---117
heptadecanoic acid NISTMargaric acidME132347---117
lauric acidLauric acidME132333---117
lignoceric acidLignoceric acidME132330---117
methylhexadecanoic acidMethylhexadecanoic acidME132318---117
pelargonic acidPelargonic acidME132302---117
rhamnoseRhamnoseME132362---117
stearic acidStearic acidME132286---117
threonineThreonineME132279---117
methionine sulfoxideMethionine sulfoxideME132319---128
1-monooleinMG 18:1(9Z)/0:0/0:0ME132416---129
2-hydroxyglutaric acid2-Hydroxyglutaric acidME132408---129
cholesterolCholesterolME132376---129
palmitoleic acidPalmitoleic acidME132305---129
N-methylalanineN-MethylalanineME132311---130
2-hydroxybutanoic acid2-Hydroxybutyric acidME132409---131
2-hydroxyvaleric acid2-Hydroxyvaleric acidME132406---131
behenic acidBehenic acidME132384---132
4-hydroxyprolinecis-4-HydroxyprolineME132401---140
5-hydroxynorvaline NISTL-2-Amino-5-hydroxypentanoic acidME132400---142
ornithineOrnithineME132309---142
prolineProlineME132296---142
valineValineME132270---144
hydroxylamineHydroxylamineME132344---146
oxalic acidOxalic acidME132308---147
histidineHistidineME132345---154
maleimideMaleimideME132325---154
pimelic acidPimelic acidME132298---155
glutamineGlutamineME132355---156
lysineLysineME132327---156
oxoprolineOxoprolineME132307---156
pipecolic acidPipecolic acidME132297---156
citrullineCitrullineME132374---157
glutaric acidGlutaric acidME132354---158
isoleucineIsoleucineME132338---158
leucineLeucineME132332---158
N-acetylglutamateN-Acetylglutamic acidME132315---158
trans-4-hydroxyprolinetrans-4-HydroxyprolineME132276---158
glucoseGlucoseME132358---160
phenylacetic acidPhenylacetic acidME132301---164
benzylalcoholBenzyl alcoholME132382---165
adenosine-5-phosphateAMPME132396---169
ureaUreaME132273---171
5-methoxytryptamine5-MethoxytryptamineME132399---174
ethanolamineEthanolamineME132365---174
glycineGlycineME132349---174
hippuric acidHippuric acidME132346---174
N-acetylglycine NISTN-AcetylglycineME132314---174
phenylethylaminePhenylethylamineME132299---174
pyruvic acidPyruvic acidME132293---174
methionineMethionineME132320---176
glycolic acidGlycolic acidME132348---177
benzoic acidBenzoic acidME132383---179
nicotinic acidNicotinic acidME132312---180
naproxenNaproxenME132313---185
glyceric acidGlyceric acidME132353---189
1,5-anhydroglucitol1,5-AnhydrosorbitolME132417---191
3-hydroxybutanoic acid3-Hydroxybutyric acidME132403---191
lactic acidLactic acidME132334---191
alpha ketoglutaric acid2-Oxoglutaric acidME132393---198
2-ketoisocaproic acidKetoleucineME132405---200
caprylic acidCaprylic acidME132377---201
indole-3-acetateIndoleacetic acidME132343---202
indole-3-lactateIndolelactic acidME132342---202
tryptophanTryptophanME132275---202
glycerol-3-galactosideGalactosylglycerolME132351---204
inulobioseInulobioseME132340---204
levoglucosanGlucosanME132331---204
maltotrioseMaltotrioseME132323---204
serineSerineME132288---204
shikimic acidShikimic acidME132287---204
dihydro-3-coumaric acid3-(3-Hydroxyphenyl)propanoic acidME132368---205
erythritolErythritolME132367---205
erythroseErythroseME132366---205
glycerolGlycerolME132352---205
threoseThreoseME132278---205
paracetamolAcetaminophenME132303---206
arabinoseArabinoseME132391---217
pseudo uridinePseudouridineME132295---217
threitolThreitolME132281---217
xylitolXylitolME132268---217
aminomalonic acidAminomalonic acidME132392---218
cystineCystineME132369---218
kynurenineKynurenineME132336---218
phenylalaninePhenylalanineME132300---218
tyrosineTyrosineME132274---218
cysteineCysteineME132371---220
cysteine-glycineCys-GlyME132370---220
gamma-tocopherolgamma-TocopherolME132360---223
aconitic acidcis-Aconitic acidME132397---229
inosineInosineME132341---230
aspartic acidAspartic acidME132386---232
lactamideLactamideME132335---232
malateMalic acidME132326---233
tocopherol alphaalpha-TocopherolME132277---237
methanolphosphateMethanolphosphateME132321---241
beta-glycerolphosphatesn-Glycero-2-phosphateME132380---243
fumaric acidFumaric acidME132361---245
isocitric acidIsocitric acidME132339---245
glutamic acidGlutamic acidME132356---246
succinic acidSuccinic acidME132285---247
beta alaninebeta-AlanineME132381---248
quinic acidQuinic acidME132292---255
uridineUridineME132271---258
beta-mannosylglycerate-ME132379---259
salicylic acidSalicylic acidME132289---267
sucroseSucroseME132284---271
citric acidCitric acidME132375---273
myristic acidMyristic acidME132316---285
N-acetylglucosamineN-AcetylglucosamineME132418---290
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME132412---292
isothreonic acidD-Threonic acidME132337---292
threonic acidThreonic acidME132280---292
3-phosphoglycerate3-Phosphoglyceric acidME132402---299
glycerol-alpha-phosphatesn-Glycero-3-phosphateME132350---299
myo-inositolMyo-inositolME132317---305
arabitolArabitolME132390---307
fructoseFructoseME132364---307
riboseRiboseME132291---307
tagatoseD-TagatoseME132283---307
palmitic acidPalmitic acidME132306---313
azelaic acidAzelaic acidME132385---317
conduritol beta epoxideConduritol epoxideME132373---318
2-hydroxyhippuric acidSalicyluric acidME132407---324
taurineTaurineME132282---326
gluconic acidGluconic acidME132359---333
glucuronic acidGlucuronic acidME132357---333
saccharic acidGlucaric acidME132290---333
linoleic acidLinoleic acidME132329---337
oleic acidOleic acidME132310---339
2,3,5-trihydroxypyrazine NIST-ME132413---344
xanthineXanthineME132269---353
maltoseMaltoseME132324---361
1-monopalmitinMG 16:0/0:0/0:0ME132415---371
1-monostearinMG 18:0/0:0/0:0ME132414---399
uric acidUric acidME132272---441
arachidonic acidArachidonic acidME132388---91


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