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Analysis: GCMS 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 acidME65660243C02630506306247
alpha-ketoglutarate2-Oxoglutaric acidME65662251C00026507392198
2-ketoisocaproic acidKetoleucineME65660470C0023331076189
5-aminovaleric acid5-Aminopentanoic acidME656612138C00431536657174
adenineAdenineME656615190C00147646534264
adipic acidAdipic acidME656618196C06104474435111
hexose-6-phosphateHexose 6-phosphateME656687208C02965806282387
beta-alaninebeta-AlanineME656631239C00099435564248
benzoic acidBenzoic acidME656630243C00180339067179
citric acidCitric acidME656642311C00158617342273
caprylic acidCaprylic acidME656635379C06423343457201
3-hydroxybutanoic acid3-Hydroxybutyric acidME656609441C0108278969177
3-hydroxybutyric acid3-Hydroxybutyric acidME656610441C01089278829191
hexitolSorbitolME656686453C00392704741217
sorbitolSorbitolME656756453C00794667922217
alpha-aminoadipic acidalpha-Aminoadipic acidME656620469C00956571057260
creatinineCreatinineME656645588C00791502599115
cysteineCysteineME656646594C00097500158220
cystineCystineME656648595C01420804619218
ethanolamineEthanolamineME656659700C00189344719174
3-phosphoglycerate3-Phosphoglyceric acidME656611724C00597610734227
glutaric acidGlutaric acidME656675743C00489421260261
glycineGlycineME656680750C00037368707248
glycerolGlycerolME656677753C00116344466205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME656679754C03189590747357
glycolic acidGlycolic acidME656681757C00160227636177
hydroxylamineHydroxylamineME656691787C00192253158146
hypoxanthineHypoxanthineME656692790C00262619128265
methionine sulfoxideMethionine sulfoxideME656718847C02989637588128
myo-inositolMyo-inositolME656719892C00137730022305
nicotinamideNiacinamideME656724936C00153469827179
nicotinic acidNicotinic acidME656725938C00253353934180
oxalic acidOxalic acidME656729971C00209260513190
palmitic acidPalmitic acidME656731985C00249713809313
pantothenic acidPantothenic acidME656733988C12276690887291
phenolPhenolME656737996C00146218927151
phenylethylaminePhenylethylamineME6567401001C05332513300174
phosphatePhosphoric acidME6567411004C00009345365314
enolpyruvate NISTPhosphoenolpyruvic acidME6566551005C00074234394217
phosphoethanolaminePhosphoethanolamineME6567421015C00346604335299
putrescinePutrescineME6567471045C00138588872174
pyruvic acidPyruvic acidME6567491060C00022211668174
citramalic acidCitramalic acidME6566411081C00815456203247
tagatoseD-TagatoseME6567641101C00795631835103
spermidineSpermidineME6567571102C00315792924144
succinic acidSuccinic acidME6567611110C00042370608247
succinate semialdehydeSuccinic acid semialdehydeME6567601112C00232297024113
taurineTaurineME6567651123C00245556690326
thymineThymineME6567691135C00178420133255
uracilUracilME6567781174C00106385735241
ureaUreaME6567791176C00086328888189
xanthineXanthineME6567831188C00385701688353
isocitric acidIsocitric acidME6566961198C00451616323245
azelaic acidAzelaic acidME6566282266C08261610651317
1-hexadecanolCetyl alcoholME6565982682C00823679596299
p-cresolP-CresolME6567342879C01468280360165
capric acidCapric acidME6566342969C01571451790229
cholestan-3-olEpi-cholestanolME6566383240C129781082070215
lauric acidLauric acidME6567063893C02679547840117
s(-)-willardiine(S)-WillardiineME6567535123C03584815363204
stearic acidStearic acidME6567595281C01530787622117
riboseRiboseME6567515779C00121553135217
thymidineThymidineME6567685789C00214349402170
glucoseGlucoseME6566705793C00221659798319
alanineAlanineME6566195950C00041243971116
serineSerineME6567555951C00065395020218
glucose-6-phosphateGlucose 6-phosphateME6566725958C00092818275387
aspartic acidAspartic acidME6566275960C00049480387232
glutamineGlutamineME6566745961C00064600315156
lysineLysineME6567105962C00047663483156
fructoseFructoseME6566605984C02336639442307
sucroseSucroseME6567625988C00089915139271
cholesterolCholesterolME6566395997C001871078536329
inosineInosineME6566936021C00294897434230
uridineUridineME6567806029C00299856709224
uridine-5-monophosphateUMPME6567816030C00105977896169
alpha-galactoseGalactoseME6566216036C00738649148204
galactoseGalactoseME6566666036C00984648756319
tyrosineTyrosineME6567756057C00082671252218
adenosine-5-monophosphateAMPME6566176083C000201038688169
leucineLeucineME6567076106C00123346101158
cytidine-5-monophosphate NISTCMPME6566506131C00055973708315
lactoseLactoseME6567046134C00243935640191
methionineMethionineME6567176137C00073483560176
phenylalaninePhenylalanineME6567396140C00079537804218
cytidineCytidineME6566496175C00475937026223
ornithineOrnithineME6567286262C00077527113142
asparagineAsparagineME6566266267C00152553078188
histidineHistidineME6566896274C00135663739154
valineValineME6567826287C00183313502144
threonineThreonineME6567676288C00188409568218
tryptophanTryptophanME6567746305C00078780482202
isoleucineIsoleucineME6566976306C00407359251158
guanosineGuanosineME6566846802C00387954962324
ribitolRibitolME6567506912C00474575497217
lactobionic acidLactobionic acidME6567037314C04247972139204
oxoprolineOxoprolineME6567307405C01879485935156
phenylacetamidePhenylacetamideME6567387680C0250545820192
epsilon-caprolactamEpsilon-caprolactamME6566567768C06593353069170
pelargonic acidPelargonic acidME6567358158C01601399229117
behenic acidBehenic acidME6566298215C08281920648117
octadecanolStearyl alcoholME6567268221D01924755409327
inosine-5'-monophosphateIMPME6566948582C001301018687169
tocopherol beta NISTbeta-tocopherolME6567718989C141521022815223
citrullineCitrullineME6566439750C00327621404157
propane-1,3-diol NISTPropane-1,3-diolME65674610442C02457214380177
heptadecanoic acidMargaric acidME65668510465-751309117
arachidic acidArachidic acidME65662410467C06425856421117
cerotinic acidCerotic acidME65663710469-1033286145
gluconic acidGluconic acidME65666910690C00800693148333
myristic acidMyristic acidME65672011005C06424634414117
butyrolactam NIST2-PyrrolidinoneME65663312025C11118277199142
methanolphosphateMethanolphosphateME65671613130-289520241
pentadecanoic acidPentadecylic acidME65673613849C16537674647117
dehydroabietic acidDehydroabietic acidME65665115618C12078850374239
UDP-glucuronic acidUDP-glucuronic acidME65677617473C00167587601217
mannoseMannoseME65671418950C00159645856205
1-monostearinMG 18:0/0:0/0:0ME65660124699D01947959214129
glutamic acidGlutamic acidME65667333032C00025529100246
saccharic acidGlucaric acidME65675433037C00818699211333
diglycerolDiglycerolME65665442953-591074103
adenosineAdenosineME65661660961C00212918039236
N-acetylaspartic acidN-Acetylaspartic acidME65672165065C01042548028158
glucose-1-phosphateGlucose 1-phosphateME65667165533C00103594647217
fructose-6-phosphateFructose 6-phosphateME65666169507C05345804279315
n-acetylglutamateN-Acetylglutamic acidME65672270914C00624477776158
phosphogluconic acidPhosphogluconic acidME65674391493C00345847013299
tocopherol gamma-gamma-TocopherolME65677292729C024831026121223
erythroseErythroseME65665894176C01796443306205
lactamideLactamideME65670094220-265698232
2-hydroxyvaleric acid2-Hydroxyvaleric acidME65660398009-309587131
aminomalonateAminomalonic acidME656623100714C00872455754218
glucoheptuloseGlucoheptuloseME656668102926C02076828606217
lactic acidLactic acidME656701107689C01432217657191
galactonic acidGalactonic acidME656665128869C00880690882292
xyloseXyloseME656784135191C00181546699307
prolineProlineME656745145742C00148364716142
threonic acidThreonic acidME656766151152C01620497572292
hexuronic acidHexuronic acidME656688152867-667373160
lactitolLactitolME656702157355C13542959541361
dehydroascorbic acidL-Dehydroascorbic acidME656652210328C05422644832173
erythritolErythritolME656657222285C00503471922217
malic acidMalic acidME656712222656C00711463180233
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME656613439176C00170967036236
ribulose-5-phosphateRibulose 5-phosphateME656752439184C00199735908357
cellobioseCellobioseME656636439186C01971932179204
maltose 1MaltoseME656713439186C00208946601204
isomaltoseIsomaltoseME656698439193C00252993307204
glyceric acidGlyceric acidME656676439194C00258377495189
lyxitolL-ArabitolME656711439255C00532573587217
N-acetylmannosamine minorN-Acetyl-mannosamineME656723439281C00645735323319
cysteine-glycineCys-GlyME656647439498C01419715335220
guanidinosuccinateGuanidinosuccinic acidME656683439918C03139557299328
inositol-4-monophosphateInositol 4-phosphateME656695440043C03546845976315
melibioseMelibioseME656715440658C05402988497361
beta-gentiobiosebeta-GentiobioseME656632441422C08240965404204
6-deoxyglucoseQuinovoseME656614441480C08352573663117
arachidonic acidArachidonic acidME656625444899C0021983433991
fumaric acidFumaric acidME656662444972C00122390016245
palmitoleic acidPalmitoleic acidME656732445638C08362706508117
oleic acidOleic acidME656727445639C00712781527129
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME656777445675C00043625003226
tocopherol alpha-alpha-TocopherolME656770638015C003761067809237
pyrophosphatePyrophosphateME656748644102C00013327517110
levoglucosanGlucosanME6567082724705-569637204
glycyl prolineGly-ProME6566823013625-691357174
galactose-6-phosphateGalactose 6-phosphateME6566673034794C01113828102387
1-monopalmitinMG 16:0/0:0/0:0ME6566003084463C01885901749129
2-monopalmitinMG 0:0/16:0/0:0ME6566063084463-890356129
lactuloseLactuloseME6567053278275C07064929908204
isothreonic acid 1D-Threonic acidME6566995280363C00639489385292
squaleneSqualeneME6567585280370C0075197623795
phytolPhytolME6567445280435C01389761712143
linoleic acidLinoleic acidME6567095280450C01595777414150
cis-gondoic acidcis-Gondoic acidME6566405282768C16526847372367
xylulose NISTXyluloseME6567855289590C00312553450173
1-monooleinMG 18:1(9Z)/0:0/0:0ME6565995319879-952623129
2-monooleinMG 0:0/18:1(9Z)/0:0ME6566055319879-941794129
sulfuric acidTG 16:0_18:1_18:1ME6567635462417C00059285430227
digalacturonic acidDigalacturonic acidME6566536857565C02273980132169
conduritol-beta-expoxideConduritol epoxideME6566449989541-701723318
trans-4-hydroxyprolinetrans-4-HydroxyprolineME65677311137200C01157460662158
galactinolGalactinolME65666311727586C01235998425204
galactinolGalactinolME65666411727586C01235991053204
glycerol-3-galactosideGalactosylglycerolME65667816048618C05401805227204
3,6-anhydro-D-glucose3,6-Anhydro-glucoseME65660816069993C06478587617231
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME65660716069996C06474590619231
hydroxycarbamate NISTHydroxycarbamic acidME65669016639161-325948278
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME65659723368901-397526241


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