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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
phosphatePhosphoric acidME1346821004C00009345365314
pyrophosphatePyrophosphateME1346761023C00013327517110
adenosine-5-monophosphateAMPME1347926083C000201038688169
glutamic acidGlutamic acidME13474533032C00025529100246
alpha-ketoglutarate2-Oxoglutaric acidME13478851C00026507392198
glycineGlycineME134739750C00037368707248
alanineAlanineME1347915950C00041243971116
UDP GlcNAcUDP-N-acetylglucosamineME134654445675C00043627437226
lysineLysineME1347165962C00047663483156
aspartic acidAspartic acidME1347825960C00049480387232
cytidine-5-monophosphate NISTCMPME1347626131C00055974825169
sulfuric acidTG 16:0_18:1_18:1ME1346631118C00059285430227
glutamineGlutamineME1347445961C00064600315156
serineSerineME1346715951C00065395020218
ascorbic acidVitamin CME13478454670067C00072672898332
methionineMethionineME1347116137C00073483560176
ornithineOrnithineME1346966262C00077619548142
tryptophanTryptophanME1346566305C00078780482202
phenylalaninePhenylalanineME1346846140C00079537804218
tyrosineTyrosineME1346556057C00082652832179
ureaUreaME1346511176C00086323728189
sucroseSucroseME1346645988C00089915139271
glucose-6-phosphateGlucose 6-phosphateME1347465958C00092818275387
cysteineCysteineME1347665862C00097500158220
beta-alaninebeta-AlanineME134779239C00099435564248
uracilUracilME1346521174C00106385735241
glycerolGlycerolME134742753C00116344466205
riboseRiboseME1346735779C00121553135217
fumaric acidFumaric acidME134749444972C00122390016245
leucineLeucineME1347186106C00123346357158
myo-inositolMyo-inositolME134708892C00137730022305
putrescinePutrescineME1346771049C00138588872174
prolineProlineME134680145742C00148364716142
asparagineAsparagineME1347836267C00152553078188
nicotinamideNiacinamideME134702936C00153469827179
citric acidCitric acidME134770311C00158617342273
mannoseMannoseME13471318950C00159645856205
glycolic acidGlycolic acidME134738757C00160227636177
UDP-glucuronic acidUDP-glucuronic acidME13465317473C00167587601217
thymineThymineME1346591135C00178420133255
benzoic acidBenzoic acidME134780243C00180339067179
xyloseXyloseME134644135191C00181543267103
valineValineME1346486287C00183313502144
dihydroxyacetoneDihydroxyacetoneME134759670C0018433212089
cholesterolCholesterolME1347725997C001871076014129
threonineThreonineME1346606288C00188409568218
ethanolamineEthanolamineME134754700C00189343800174
hydroxylamineHydroxylamineME134728787C00192255241146
oxalic acidOxalic acidME134694971C00209260513190
adenosineAdenosineME13479360961C00212918039236
arachidonic acidArachidonic acidME134785444899C0021983433991
glucoseGlucoseME13474764689C00221650867319
succinate semialdehydeSuccinic acid semialdehydeME1346651112C00232297024113
2-ketoisocaproic acidKetoleucineME13480070C0023329047389
taurineTaurineME1346621123C00245556690326
nicotinic acidNicotinic acidME134701938C00253366992180
glyceric acidGlyceric acidME134743439194C00258377495189
hypoxanthineHypoxanthineME134727790C00262619128265
inosineInosineME1347266021C00294897434230
orotic acidOrotic acidME134695967C00295586317254
uridineUridineME1346496029C00299861508217
spermidineSpermidineME1346681102C00315792924144
citrullineCitrullineME1347699750C00327621404157
phosphoethanolaminePhosphoethanolamineME1346811015C00346603912299
uric acidUric acidME1346501175C00366731038441
tocopherol alpha-alpha-TocopherolME134658638015C003761066526237
xylitolXylitolME1346456912C00379567437217
cytosinCytosineME134761597C00380486724254
xanthineXanthineME1346471188C00385701688353
guanosineGuanosineME1347366802C00387954962324
hexitolSorbitolME134733453C00392704741217
isoleucineIsoleucineME1347236306C00407359251158
5-aminovaleric acid5-Aminopentanoic acidME134796138C00431536657174
ribitolRibitolME134675827C00474575497217
cytidineCytidineME1347636175C00475937026223
shikimic acidShikimic acidME1346708742C00493608627204
allantoic acidAllantoic acidME134789203C00499723539259
lyxitolL-ArabitolME134715439255C00532573587217
N-acetylglutamateN-Acetylglutamic acidME13470370914C00624604748216
isothreonic acidD-Threonic acidME1347215280363C00639489385292
malic acidMalic acidME134714525C00711463180233
oleic acidOleic acidME134697445639C00712779120339
squaleneSqualeneME134667638072C0075197623795
creatinineCreatinineME134767588C00791502599115
sorbitolSorbitolME1346695780C00794667922217
gluconic acidGluconic acidME1347486857417C00800693148333
parabanic acid NISTParabanic acidME13469067126C00802464991100
aminomalonateAminomalonic acidME134787100714C00872455754218
4-hydroxybutyric acid4-Hydroxybutyric acidME13479710413C00989325027233
alanine-alanineAla-AlaME1347905484352C00993522546116
N-acetylaspartic acidN-Acetylaspartic acidME13470665065C01042548028158
3-hydroxybutyric acid3-Hydroxybutyric acidME13479892135C01089278829191
fructose-1-phosphateFructose 1-phosphateME134752439394C01094803180387
trans-4-hydroxyprolinetrans-4-HydroxyprolineME1346575810C01157484934140
cysteine-glycineCys-GlyME134765439498C01419715335220
cystineCystineME134764595C01420804619218
lactic acidLactic acidME134720612C01432219848191
p-cresolP-CresolME1346892879C01468280360165
stearic acidStearic acidME1346665281C01530787622117
capric acidCapric acidME1347742969C01571451790229
pelargonic acidPelargonic acidME1346888158C01601399229117
threonic acidThreonic acidME1346615460407C01620497572292
ribonic acidRibonic acidME1346745460677C01685597646292
xanthosineXanthosineME13464664959C01762926133325
erythroseErythroseME134756439574C01796443306205
oxoprolineOxoprolineME1346937405C01879485935156
1-monopalmitinMG 16:0/0:0/0:0ME13480514900C01885901749129
pseudo uridinePseudouridineME13467815047C02067813899217
fucoseFucoseME134750439650C02095578299160
fructoseFructoseME134753439709C02336639442307
erythronic acid lactoneErythrono-1,4-lactoneME1347575325915C02341407495247
propane-1,3-diol NISTPropane-1,3-diolME13467910442C02457214380177
2-hydroxyglutaric acid2-Hydroxyglutaric acidME13480143C02630506306247
pentono-1,4-lactoneRibonolactoneME134685161815C02674587644102
lauric acidLauric acidME1347193893C02679547906117
N-methylalanineN-MethylalanineME1347005288725C02721286855130
hexose-6-phosphateHexose 6-phosphateME134731208C02965806282387
beta-glycerolphosphatesn-Glycero-2-phosphateME1347772526C02979574470243
methionine sulfoxideMethionine sulfoxideME134710158980C02989605401128
glycerol-alpha-phosphatesn-Glycero-3-phosphateME134740754C03189590747357
inositol-4-monophosphateInositol 4-phosphateME134725440043C03546846510315
n-acetyl-d-hexosamineN-AcetylhexosamineME13470524139C03878746341319
N-acetylgalactosamineN-Acetyl-D-galactosamineME134704440552C05021725570202
phenylethylaminePhenylethylamineME1346831001C05332510327174
fructose-6-phosphateFructose 6-phosphateME134751440641C05345804279315
glycerol-3-galactosideGalactosylglycerolME13474116048618C05401800205204
dehydroascorbic acidL-Dehydroascorbic acidME134760440667C05422633423173
beta-glutamic acidIsoglutamic acidME13477873064C05574525547232
5-methoxytryptamine5-MethoxytryptamineME1347951833C05659864466174
2-hydroxybutanoic acid2-Hydroxybutyric acidME134802440864C05984258161131
salicylaldehyde2-HydroxybenzaldehydeME1346726998C06202406586119
myristic acidMyristic acidME13470711005C06424634414117
arachidic acidArachidic acidME13478610467C06425856421117
1,5-anhydroglucitol1,5-AnhydrosorbitolME13480664960C07326633969217
behenic acidBehenic acidME1347818215C08281920648117
lignoceric acidLignoceric acidME13471711197C08320978597132
6-deoxyglucoseQuinovoseME134794441480C08352573663117
palmitoleic acidPalmitoleic acidME134692445638C08362706508117
pantothenic acidPantothenic acidME1346916613C12276690887291
cholestan-3-olEpi-cholestanolME13477366066C129781082070215
cis-gondoic acidcis-Gondoic acidME1347715282768C16526847372367
nonadecanoic acidNonadecylic acidME13469912591C16535822782117
pentadecanoic acidPentadecylic acidME13468713849C16537674647117
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME13480423368901-397526241
2-deoxytetronic acid NIST3,4-Dihydroxybutyric acidME134803192742-390517117
2-monopalmitinMG 0:0/16:0/0:0ME134799123409-890356129
bisphosphoglycerol NIST-ME134776102018-764660299
butyrolactam NIST2-PyrrolidinoneME13477512025-277199142
conduritol-beta-epoxideConduritol epoxideME1347689989541-675635318
doconexent NISTDHAME134758--90281991
ethanol phosphate NISTEthylphosphateME134755--317291211
glycyl tyrosineGly-TyrME13473792829-922071174
heptadecanoic acidMargaric acidME13473510465-751309117
hexadecylglycerol NISTMG O-16:0ME134734--867593205
hexonic acidGluconic acidME134732604-698302217
hexuronic acidHexuronic acidME134730152867-667373160
hydroxycarbamate NISTHydroxycarbamic acidME13472916639161-325948278
isoheptadecanoic acid NIST15-Methylpalmitic acidME134724164860-737927117
isolinoleic acid NIST-ME1347225312483-794629156
methanolphosphateMethanolphosphateME13471213130-289520241
monomyristinMG 14:0ME13470979050-838305343
octadecylglycerolMG O-18:0ME134698--928878205
pentonic acid-ME13468610264-596671292


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