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


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