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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
2-hydroxyglutaric acid2-Hydroxyglutaric acidME27053243C02630506306247
alpha-ketoglutarate2-Oxoglutaric acidME27052251C00026507392198
2-ketoisocaproic acidKetoleucineME27053070C0023331076189
adipic acidAdipic acidME270524196C06104474435111
beta-alaninebeta-AlanineME270514239C00099435564248
citric acidCitric acidME270508311C00158617342273
salicylic acidSalicylic acidME270427338C00805480699267
hexitolSorbitolME270483453C00392704741217
hippuric acidHippuric acidME270481464C01586637795206
malic acidMalic acidME270462525C00711463180233
creatinineCreatinineME270505588C00791502599115
cystineCystineME270504595C01420804619218
lactic acidLactic acidME270470612C01432217657191
ethanolamineEthanolamineME270499700C00189344719174
glycineGlycineME270487750C00037368707248
glycerolGlycerolME270490753C00116344428205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME270488754C03189590747357
glycolic acidGlycolic acidME270486757C00160227409177
hydroxylamineHydroxylamineME270478787C00192253158146
hypoxanthineHypoxanthineME270477790C00262619128265
indole-3-acetateIndoleacetic acidME270475802C00954684929202
ribitolRibitolME270430827C00474575497217
myo-inositolMyo-inositolME270454892C00137730022305
palmitic acidPalmitic acidME270443985C00249713809313
phosphatePhosphoric acidME2704381004C00009345365314
phthalic acidPhthalic acidME2704371017C01606567345147
pyruvic acidPyruvic acidME2704311060C00022213805174
citramalic acidCitramalic acidME2705091081C00815456203247
succinic acidSuccinic acidME2704221110C00042370608247
taurineTaurineME2704201123C00245556690326
uric acidUric acidME2704081175C00366730691441
ureaUreaME2704091176C00086329351189
5-methoxytryptamine5-MethoxytryptamineME2705261833C05659864466174
acetaminophenAcetaminophenME2705251983C06804596681166
benzylalcoholBenzyl alcoholME2705152879C01468280360165
capric acidCapric acidME2705132969C01571451790229
ibuprofenIbuprofenME2704763672C01588537635160
lauric acidLauric acidME2704693893C02679547906117
stearic acidStearic acidME2704235281C01530787622117
riboseRiboseME2704285779C00121553135217
trans-4-hydroxyprolinetrans-4-HydroxyprolineME2704145810C01157484934140
alanineAlanineME2705235950C00041243971116
serineSerineME2704265951C00065395020218
aspartic acidAspartic acidME2705175960C00049480387232
glutamineGlutamineME2704925961C00064600000156
lysineLysineME2704645962C00047663483156
sucroseSucroseME2704215988C00089915139271
cholesterolCholesterolME2705115997C001871078536129
inosineInosineME2704736021C00294897434230
uridineUridineME2704076029C00299861508217
tyrosineTyrosineME2704116057C00082671252218
leucineLeucineME2704686106C00123346101158
methionineMethionineME2704576137C00073483560176
phenylalaninePhenylalanineME2704396140C00079537804218
mannitolMannitolME2704606251C00392663215319
cellobioseCellobioseME2705126255C01971932179204
ornithineOrnithineME2704456262C00077594051174
asparagineAsparagineME2705186267C00152553078188
histidineHistidineME2704806274C00135663790154
valineValineME2704066287C00183313502144
threonineThreonineME2704176288C00188408777218
tryptophanTryptophanME2704126305C00078780482202
isoleucineIsoleucineME2704726306C00407359251158
xylitolXylitolME2704056912C00379567437217
gluconic acid lactoneGluconolactoneME2704957027C00198645815220
oxoprolineOxoprolineME2704447405C01879485935156
trehaloseTrehaloseME2704137427C01083948197191
pelargonic acidPelargonic acidME2704408158C01601399229117
dodecanolDodecanolME2705018193C02277507619243
behenic acidBehenic acidME2705168215C08281920648117
shikimic acidShikimic acidME2704258742C00493611100204
citrullineCitrullineME2705079750C00327621404157
heptadecanoic acidMargaric acidME27048510465-751309117
arachidic acidArachidic acidME27052010467C06425856421117
montanic acidMontanic acidME27045510470-1087377117
N-acetylglycine NISTN-AcetylglycineME27045010972-356109174
myristic acidMyristic acidME27045311005C06424634414285
hexadecaneHexadecaneME27048411006-52596485
lignoceric acidLignoceric acidME27046611197C08320978597132
pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME27043212473C05942394886240
piperidone2-PiperidinoneME27043512665-275603156
methanolphosphateMethanolphosphateME27045813130-289520241
1-monopalmitinMG 16:0/0:0/0:0ME27053614900C01885901749129
pseudo uridinePseudouridineME27043315047C02067813899217
UDP-glucuronic acidUDP-glucuronic acidME27041017473C00167585473217
mannoseMannoseME27045918950C00159645856205
n-acetyl-d-hexosamineN-AcetylhexosamineME27045224139C03878746341319
1-monostearinMG 18:0/0:0/0:0ME27053524699D01947959214203
glutamic acidGlutamic acidME27049333032C00025529100246
glucoseGlucoseME27049464689C00221659798319
3-aminoisobutyric acid3-Aminoisobutanoic acidME27052864956C05145452655248
parabanic acid NISTParabanic acidME27044167126C00802464991100
n-acetylglutamateN-Acetylglutamic acidME27045170914C00624477776158
3-hydroxybutyric acid3-Hydroxybutyric acidME27052792135C01089278632191
tocopherol gamma-gamma-TocopherolME27041592729C024831026121223
indole-3-lactateIndolelactic acidME27047492904C02043764586202
digitoxoseDigitoxoseME27050394168-521798117
2-hydroxyvaleric acid2-Hydroxyvaleric acidME27053198009-309587131
aminomalonateAminomalonic acidME270521100714C00872455754218
prolineProlineME270434145742C00148364523142
isothreonic acidD-Threonic acidME270471151152C00639489385292
hexuronic acidHexuronic acidME270482152867-667373160
naproxenNaproxenME270448156391C01517737107185
methionine sulfoxideMethionine sulfoxideME270456158980C02989637588128
threitolThreitolME270419169019C16884467595217
erythritolErythritolME270500222285C00503471922217
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME270534250402-384796292
maltoseMaltoseME270461439186C00208946601204
glyceric acidGlyceric acidME270491439194C00258377495189
xylulose NISTXyluloseME270404439205C00312553450173
lyxitolL-ArabitolME270463439255C00532573587217
N-acetylmannosamineN-Acetyl-mannosamineME270449439281C00645735323319
fucoseFucoseME270498439650C02095578299160
2-hydroxybutanoic acid2-Hydroxybutyric acidME270533440864C05984258161131
arachidonic acidArachidonic acidME270519444899C0021983433991
fumaric acidFumaric acidME270497444972C00122390016245
docosahexaenoic acidDocosahexaenoic acidME270502445580C0642990281991
palmitoleic acidPalmitoleic acidME270442445638C08362706508311
oleic acidOleic acidME270446445639C00712779120339
tocopherol alpha-alpha-TocopherolME270416638015C003761067809237
squaleneSqualeneME270424638072C0075197623795
levoglucosanGlucosanME2704672724705-569637204
linoleic acidLinoleic acidME2704655280450C01595777414150
cis-gondoic acidcis-Gondoic acidME2705105282768C16526847372367
1-monooleinMG 18:1(9Z)/0:0/0:0ME2705375283468-952623129
N-methylalanineN-MethylalanineME2704475288725C02721286855130
2-monooleinMG 0:0/18:1(9Z)/0:0ME2705295319879-941794129
threonic acidThreonic acidME2704185460407C01620497572292
ribonic acidRibonic acidME2704295460677C01685599680292
gluconic acidGluconic acidME2704966857417C00800693148333
pipecolinic acidPipecolic acidME2704366931662-404121156
conduritol-beta-epoxideConduritol epoxideME2705069989541-675635318
glycerol-3-galactosideGalactosylglycerolME27048916048618C05401800205204
hydroxycarbamate NISTHydroxycarbamic acidME27047916639161-325318278


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