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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
1,5-anhydroglucitol1,5-AnhydrosorbitolME13405264960C07326634023217
1-hexadecanolCetyl alcoholME1340512682C00823679722299
1-monopalmitinMG 16:0/0:0/0:0ME13405014900n/a901207371
1-monostearinMG 18:0/0:0/0:0ME13404924699D01947959625399
238267 trisaccharide-ME134048--1122259361
2-aminoadipic acidAminoadipic acidME134047469C00956572700260
2-hydroxybutanoic acid2-Hydroxybutyric acidME13404694318C05984257844131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME13404543C02630507692129
2-ketoisocaproic acidKetoleucineME13404470C00233310629200
2-monooleinMG 0:0/18:1(9Z)/0:0ME1340435319879C02112942197129
2-monopalmitinMG 0:0/16:0/0:0ME134042123409n/a889972218
2-phenylpropanol NIST-ME134041447661n/a319992193
3-aminoisobutyric acid3-Amino-isobutanoic acidME13404064956C05145452732174
3-hydroxybutanoic acid3-Hydroxybutyric acidME13403992135C01089278651191
3-phenyllactic acidPhenyllactic acidME1340383848C05607516416193
3-phosphoglycerate3-Phosphoglyceric acidME134037724C00197609618299
4-hydroxybutyric acid4-Hydroxybutyric acidME13403610413C00989325197233
4-hydroxyprolinecis-4-HydroxyprolineME134035825C01015481319140
5,6-dihydrouracilDihydrouracilME134034649C00429469713243
5-aminovaleric acid5-Aminopentanoic acidME134033138C00431536304174
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME134032439176C00170967673236
5-hydroxynorvaline NIST-ME13403195562n/a494838142
5-methoxytryptamine5-MethoxytryptamineME1340301833C05659863982174
acetophenone NIST-ME1340297410C07113238719105
adenineAdenineME134028190C00147646247264
adenosineAdenosineME13402760961C00212917818236
adenosine-5-phosphateAMPME1340266083C000201038945169
adipic acidAdipic acidME134025196C06104475399111
alanineAlanineME1340245950C00041246015116
allantoic acidAllantoic acidME134023203C00499723133100
alpha ketoglutaric acidOxoglutaric acidME13402251C00026507734198
aminomalonic acidAminomalonic acidME134021100714C00872455266218
arabinoseArabinoseME134020229C00259546892217
arabitolArabitolME13401994154C01904572600307
arachidic acidArachidic acidME13401810467C06425856203117
arachidonic acidArachidonic acidME1340175312542n/a83575191
ascorbic acidVitamin CME1340165785C00072672508332
asparagineAsparagineME134015236C00152554276116
aspartic acidAspartic acidME134014--480295232
azelaic acidAzelaic acidME1340132266C08261610175317
behenic acidBehenic acidME1340128215C08281919675117
benzoic acidBenzoic acidME134011243C00180338714179
beta-alaninebeta-AlanineME134010239C00099431950248
biuretBiuretME1340097913C06555571672171
capric acidCapric acidME1340082969C01571451122117
caprylic acidCaprylic acidME134007379C06423343899201
cellobiotolCellobiotolME134006160514n/a956355204
cholesterolCholesterolME1340055997C001871075918129
citric acidCitric acidME134004311C00158616681273
citrullineCitrullineME1340039750C00327622308157
conduritol beta epoxideConduritol epoxideME134002--704838318
creatinineCreatinineME134001588C00791502434115
cysteineCysteineME134000594C00097501345220
cysteine-glycineCys-GlyME133999439498C01419715639220
cystineCystineME13399867678C00491804143218
cytidine-5'-diphosphateCDPME133997290C00112861380217
cytidine-5-monophosphate NIST-ME1339966131C00055975265169
digalacturonic acidDigalacturonic acidME1339956857565-956026233
dihydroabietic acidDihydroabietic acidME133994227277n/a849610239
dihydrosphingosineSphinganineME13399391486C00836873228204
dodecaneN-DodecaneME1339928182C0837424737998
dodecanolDodecanolME1339918193C02277508488243
erythritolErythritolME133990222285C00503471274205
erythronic acidErythronic acidME1339892781043n/a512521218
erythronic acid lactoneErythrono-1,4-lactoneME1339885325915n/a407645147
ethanolamineEthanolamineME133986--344330174
ethanol phosphate NIST-ME133987--316988211
FADFADME133985643975C00016585516246
fructoseFructoseME1339845984C00095644460217
fructose 1 phosphateFructose 1-phosphateME13398365246C01094800708387
fructose-6-phosphateFructose 6-phosphateME13398269507C00085804605315
fucoseFucoseME13398194270C01019584612117
fucose+ rhamnose-ME13398094270C01018577861117
fumaric acidFumaric acidME133979444972C00122390853245
galactose-6-phosphateGalactose 6-phosphateME13397899058C00446817783387
gamma-tocopherolgamma-TocopherolME13397792729C024831026222223
gluconic acidGluconic acidME13397610690C00257693140333
glucoseGlucoseME133975107526C00031650726160
glucose-6-phosphateGlucose 6-phosphateME1339745958C00092806065387
glucuronic acidGlucuronic acidME13397394715C00191666401333
glutamic acidGlutamic acidME13397233032C00025528717246
glutamineGlutamineME1339715961C00064599904156
glyceric acidGlyceric acidME133970439194C00258377001189
glycerolGlycerolME133969753C00116343749205
glycerol-3-galactosideGalactosylglycerolME133968656504C05401801542204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME133967754C00093591357299
glycerol-beta-phosphatesn-Glycero-2-phosphateME1339662526C02979574994243
glycineGlycineME133965750C00037364262174
glycocyamine-ME133964--511031171
glycolic acidGlycolic acidME133963757C00160229810177
guanineGuanineME133962764C00242744267352
guanosineGuanosineME1339616802C00387955831324
histidineHistidineME1339606274C00135663938154
homoserineHomoserineME13395912647C00263444264218
hydroxycarbamate NIST-ME13395816639161n/a325357278
hydroxylamineHydroxylamineME133957787C00192254242146
hypoxanthineHypoxanthineME133956790C00262618133265
icosenoic acidcs-Gondoic acidME1339555282767C16526848697129
indole-3-lactateIndolelactic acidME13395492904C02043764543202
inosineInosineME1339536021C00294897806230
inosine 5'-monophosphateIMPME1339528582C001301017326315
inositol-4-monophosphateInositol 4-phosphateME133949440043C03546845491318
inositol allo--ME13395153714838n/a675911318
inositol myo-Myo-inositolME133950892C00137729867305
isoheptadecanoic acid15-Methyl palmitic acidME13394810465n/a750645117
isoleucineIsoleucineME1339476306C00407359190158
isothreonic acidD-Threonic acidME133946--490829292
kynurenineKynurenineME133945161166C00328769271218
lauric acidLauric acidME1339443893C02679548310117
leucineLeucineME1339436106C00123350582158
levoglucosanGlucosanME1339422724705n/a569799204
linoleic acidLinoleic acidME1339415280450C01595777102337
lysineLysineME1339405962C00047662967156
maleimideMaleimideME13393910935C07272244928154
malic acidMalic acidME133938222656C00149461034233
maltoseMaltoseME1339376255C00208955559361
maltotrioseMaltotrioseME13393692146C018351177212204
mannitolMannitolME133935--665530103
mannoseMannoseME13393418950C00159645005205
methanolphosphateMethanolphosphateME133933--287964241
methionineMethionineME1339326137C00073483977176
methionine sulfoxideMethionine sulfoxideME133931--637668301
myristic acidMyristic acidME13393011005C06424634543285
N-acetyl-D-mannosamineN-Acetyl-mannosamineME13392965150C00645723859202
nicotinamideNiacinamideME133928936C00153470102179
N-methylalanineN-MethylalanineME1339275288725C02721286258130
octadecane-1,12-diol NIST-ME13392695421n/a821168187
octadecanolStearyl alcoholME1339258221D01924754493327
oleic acidOleic acidME133924445639C00712778858339
ornithineOrnithineME1339236262C00077619715142
orotic acidOrotic acidME133922967C00295584723254
oxalic acidOxalic acidME133921971C00209259625147
oxoprolinePyroglutamic acidME1339207405C01879489576156
palmitic acidPalmitic acidME133919985C00249711066313
pantothenic acidPantothenic acidME1339186613C00864691214103
pelargonic acidPelargonic acidME1339178158C01601399163117
pentadecanoic acidPentadecylic acidME13391613849C16537674704117
phenylalaninePhenylalanineME1339156140C00079538016218
phenylethylaminePhenylethylamineME133914--510041174
phenylpyruvic acidPhenylpyruvic acidME133913997C00166516882116
phosphoethanolaminePhosphoethanolamineME1339121015C00346604454100
phosphoric acidPhosphoric acidME1339111004C00009342472314
pipecolic acidPipecolic acidME133910439227C00408403598156
prolineProlineME133909145742C00148364232142
pseudo uridinePseudouridineME13390815047C02067813829217
putrescinePutrescineME1339071045C00134588249174
pyrophosphatePyrophosphateME1339061023C00013546635451
quinic acidQuinic acidME1339056508C00296630216255
ribitolRibitolME133904827C00474576156217
ribonic acidRibonic acidME1339035460677C01685598019292
riboseRiboseME1339025779C00121553411307
salicylaldehyde2-HydroxybenzaldehydeME1339016998C06202406706193
serineSerineME133900--396734204
shikimic acidShikimic acidME1338998742C00493610984204
sorbitolSorbitolME1338985780C00794667682319
spermidineSpermidineME1338971102C00315792258144
stearic acidStearic acidME1338965281C01530787358117
stigmasterolStigmasterolME1338955280794C054421111133129
succinic acidSuccinic acidME1338941110C00042370518247
sucroseSucroseME1338935988C00089916949271
tagatoseFructoseME13389292092D09007630162307
taurineTaurineME1338911123C00245557250326
threitolThreitolME133890169019n/a467314217
threonic acidD-Threonic acidME133889439535C01620497167292
threonineThreonineME1338886288C00188408911117
thymineThymineME1338871135C00178420134255
tocopherol alphaRetinalME13388614985C024771067178237
trans-4-hydroxyprolinetrans-4-HydroxyprolineME1338855810C01157460567158
trehaloseTrehaloseME1338847427C01083947837191
triethanolamineTriethanolamineME1338837618C06771530879262
tryptophanTryptophanME1338826305C00078779834202
tyrosineTyrosineME1338816057C00082670802218
UDP GlcNAcUDP-GlcNAcME133880445675C00043623732226
UDP-glucuronic acidUDP-glucuronic acidME13387917473C00167586393217
uracilUracilME1338781174C0010638590399
ureaUreaME1338771176C00086331223171
uric acidUric acidME1338761175C00366730534441
uridineUridineME1338756029C00299856953258
uridine-5'-monophosphateUMPME1338746030C00105979035352
valineValineME1338736287C00183309905144
xanthineXanthineME1338721188C00385702391353
xanthosineXanthosineME13387164959C01762924754325
xylitolXylitolME1338706912C00379566749217


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