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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 acidME133393--464937100
3-aminoisobutyric acid3-Aminoisobutanoic acidME133493--309799102
mannitolMannitolME133411--665209103
xyloseXyloseME133356--542808103
acetophenone NISTAcetophenoneME133487--238719105
linolenic acidOctadecatrienoic acidME133417--779785108
pyrophosphatePyrophosphateME133383--327474110
adipic acidAdipic acidME133484--475399111
creatinineCreatinineME133461--504442115
alanineAlanineME133483--243537116
asparagineAsparagineME133476--553169116
2-deoxyerythritol2-DeoxyerythritolME133500--354236117
2-deoxytetronic acid NIST3,4-Dihydroxybutyric acidME133499--390395117
arachidic acidArachidic acidME133478--855930117
capric acidCapric acidME133467--451122117
fucoseFucoseME133452--584612117
heptadecanoic acid NISTMargaric acidME133436--737676117
lauric acidLauric acidME133422--547502117
lignoceric acidLignoceric acidME133419--977226117
methylhexadecanoic acidMethylhexadecanoic acidME133407--750645117
pelargonic acidPelargonic acidME133391--399114117
rhamnoseRhamnoseME133451--577861117
stearic acidStearic acidME133375--787358117
threonineThreonineME133368--408911117
methionine sulfoxideMethionine sulfoxideME133408--604971128
1-monooleinMG 18:1(9Z)/0:0/0:0ME133505--952993129
2-hydroxyglutaric acid2-Hydroxyglutaric acidME133497--506359129
cholesterolCholesterolME133465--1079689129
palmitoleic acidPalmitoleic acidME133394--706298129
N-methylalanineN-MethylalanineME133400--286258130
2-hydroxybutanoic acid2-Hydroxybutyric acidME133498--257844131
2-hydroxyvaleric acid2-Hydroxyvaleric acidME133495--310750131
behenic acidBehenic acidME133473--919675132
4-hydroxyprolinecis-4-HydroxyprolineME133490--484516140
5-hydroxynorvaline NISTL-2-Amino-5-hydroxypentanoic acidME133489--494838142
ornithineOrnithineME133398--619715142
prolineProlineME133385--364232142
valineValineME133359--313224144
hydroxylamineHydroxylamineME133433--255313146
oxalic acidOxalic acidME133397--261697147
histidineHistidineME133434--663638154
maleimideMaleimideME133414--244928154
pimelic acidPimelic acidME133387--521297155
glutamineGlutamineME133444--599904156
lysineLysineME133416--663088156
oxoprolineOxoprolineME133396--486012156
pipecolic acidPipecolic acidME133386--404019156
citrullineCitrullineME133463--621606157
glutaric acidGlutaric acidME133443--421227158
isoleucineIsoleucineME133427--359190158
leucineLeucineME133421--346072158
N-acetylglutamateN-Acetylglutamic acidME133404--477593158
trans-4-hydroxyprolinetrans-4-HydroxyprolineME133365--460567158
glucoseGlucoseME133447--658866160
phenylacetic acidPhenylacetic acidME133390--367615164
benzylalcoholBenzyl alcoholME133471--281338165
adenosine-5-phosphateAMPME133485--1038945169
ureaUreaME133362--328046171
5-methoxytryptamine5-MethoxytryptamineME133488--863982174
ethanolamineEthanolamineME133454--344330174
glycineGlycineME133438--368041174
hippuric acidHippuric acidME133435--637165174
N-acetylglycine NISTN-AcetylglycineME133403--356109174
phenylethylaminePhenylethylamineME133388--510041174
pyruvic acidPyruvic acidME133382--212241174
methionineMethionineME133409--483425176
glycolic acidGlycolic acidME133437--227487177
benzoic acidBenzoic acidME133472--339299179
nicotinic acidNicotinic acidME133401--353863180
naproxenNaproxenME133402--736205185
glyceric acidGlyceric acidME133442--377001189
1,5-anhydroglucitol1,5-AnhydrosorbitolME133506--633295191
3-hydroxybutanoic acid3-Hydroxybutyric acidME133492--278651191
lactic acidLactic acidME133423--216442191
alpha ketoglutaric acid2-Oxoglutaric acidME133482--507734198
2-ketoisocaproic acidKetoleucineME133494--310629200
caprylic acidCaprylic acidME133466--343899201
indole-3-acetateIndoleacetic acidME133432--685195202
indole-3-lactateIndolelactic acidME133431--764543202
tryptophanTryptophanME133364--779148202
glycerol-3-galactosideGalactosylglycerolME133440--805516204
inulobioseInulobioseME133429--930708204
levoglucosanGlucosanME133420--569799204
maltotrioseMaltotrioseME133412--1177212204
serineSerineME133377--394650204
shikimic acidShikimic acidME133376--610984204
dihydro-3-coumaric acid3-(3-Hydroxyphenyl)propanoic acidME133457--583527205
erythritolErythritolME133456--471274205
erythroseErythroseME133455--443286205
glycerolGlycerolME133441--343749205
threoseThreoseME133367--446119205
paracetamolAcetaminophenME133392--538566206
arabinoseArabinoseME133480--546892217
pseudo uridinePseudouridineME133384--813829217
threitolThreitolME133370--466753217
xylitolXylitolME133357--566570217
aminomalonic acidAminomalonic acidME133481--455266218
cystineCystineME133458--804722218
kynurenineKynurenineME133425--769271218
phenylalaninePhenylalanineME133389--538016218
tyrosineTyrosineME133363--671085218
cysteineCysteineME133460--499495220
cysteine-glycineCys-GlyME133459--715639220
gamma-tocopherolgamma-TocopherolME133449--1026222223
aconitic acidcis-Aconitic acidME133486--586574229
inosineInosineME133430--897806230
aspartic acidAspartic acidME133475--480295232
lactamideLactamideME133424--265523232
malateMalic acidME133415--462908233
tocopherol alphaalpha-TocopherolME133366--1067178237
methanolphosphateMethanolphosphateME133410--289507241
beta-glycerolphosphatesn-Glycero-2-phosphateME133469--574153243
fumaric acidFumaric acidME133450--390988245
isocitric acidIsocitric acidME133428--616685245
glutamic acidGlutamic acidME133445--528717246
succinic acidSuccinic acidME133374--370518247
beta alaninebeta-AlanineME133470--435138248
quinic acidQuinic acidME133381--633864255
uridineUridineME133360--856953258
beta-mannosylglycerate-ME133468--633028259
salicylic acidSalicylic acidME133378--480445267
sucroseSucroseME133373--913309271
citric acidCitric acidME133464--617288273
myristic acidMyristic acidME133405--634167285
N-acetylglucosamineN-Acetyl-D-glucosamineME133507--844341290
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME133501--384445292
isothreonic acidD-Threonic acidME133426--489846292
threonic acidThreonic acidME133369--497167292
3-phosphoglycerate3-Phosphoglyceric acidME133491--609618299
glycerol-alpha-phosphatesn-Glycero-3-phosphateME133439--591357299
myo-inositolMyo-inositolME133406--729867305
arabitolArabitolME133479--572514307
fructoseFructoseME133453--638631307
riboseRiboseME133380--553058307
tagatoseD-TagatoseME133372--632392307
palmitic acidPalmitic acidME133395--713542313
azelaic acidAzelaic acidME133474--610175317
conduritol beta epoxideConduritol epoxideME133462--704220318
2-hydroxyhippuric acidSalicyluric acidME133496--725431324
taurineTaurineME133371--556913326
gluconic acidGluconic acidME133448--693140333
glucuronic acidGlucuronic acidME133446--666401333
saccharic acidGlucaric acidME133379--699250333
linoleic acidLinoleic acidME133418--777102337
oleic acidOleic acidME133399--779154339
2,3,5-trihydroxypyrazine NIST-ME133502--531135344
xanthineXanthineME133358--702391353
maltoseMaltoseME133413--946060361
1-monopalmitinMG 16:0/0:0/0:0ME133504--900928371
1-monostearinMG 18:0/0:0/0:0ME133503--959625399
uric acidUric acidME133361--731185441
arachidonic acidArachidonic acidME133477--83575191


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