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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 acidME7257411004C00009361492314
PyrophosphatePyrophosphateME7257321023C00013327517110
Adenosine-5-monophosphateAMPME7258426083C000201041375315
Pyruvic acidPyruvic acidME7257311060C00022213805174
Glutamic acidGlutamic acidME72580533032C00025529100246
alpha-Ketoglutarate2-Oxoglutaric acidME72583851C00026507392198
GlycineGlycineME725798750C00037368707248
AlanineAlanineME7258405950C00041244189116
Succinic acidSuccinic acidME7257231110C00042370608247
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME725711445675C00043625003226
LysineLysineME7257695962C00047663483156
Aspartic acidAspartic acidME7258325960C00049480387232
Glutathione (reduced)GlutathioneME725803124886C00051761296213
GlutamineGlutamineME7258045961C00064600000156
SerineSerineME7257265951C00065395020218
Ascorbic acidVitamin CME72583354670067C00072672898332
MethionineMethionineME7257616137C00073483560176
OrnithineOrnithineME72574888747248C00077619196142
TryptophanTryptophanME7257146305C00078780482202
PhenylalaninePhenylalanineME7257426140C00079537804218
TyrosineTyrosineME7257136057C00082671252218
UreaUreaME7257091176C00086332913189
SucroseSucroseME7257225988C00089912704271
CysteineCysteineME7258175862C00097500158220
beta-Alaninebeta-AlanineME725828239C00099435564248
Glucose-1-phosphateGlucose 1-phosphateME72580765533C00103594647217
UracilUracilME7257101174C00106385735241
GlycerolGlycerolME725801753C00116344466205
RiboseRiboseME7257285779C00121553078217
Fumaric acidFumaric acidME725811444972C00122390016245
LeucineLeucineME7257736106C00123345845158
Inosine-5'-monophosphateIMPME7257838582C001301018687169
PutrescinePutrescineME7257341045C00134588119174
Myo-InositolMyo-inositolME725758892C00137730022305
AdenineAdenineME725844190C00147646534264
ProlineProlineME725736145742C00148364523142
NicotinamideNiacinamideME725754936C00153469827179
4-Hydroxybenzoate4-Hydroxybenzoic acidME725850135C00156537925223
Citric acidCitric acidME725821311C00158617342273
Glycolic acidGlycolic acidME725796757C00160227636177
UDP-glucuronic acidUDP-glucuronic acidME72571217473C00167587601217
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME725847439176C00170967036236
ThymineThymineME7257171135C00178420133255
Benzoic acidBenzoic acidME725830243C00180339067179
ValineValineME7257066287C00183313502144
CholesterolCholesterolME7258235997C001871078536129
ThreonineThreonineME7257186288C00188408777218
MaltoseMaltoseME725765439186C00208946601204
Oxalic acidOxalic acidME725747971C00209260513190
AdenosineAdenosineME72584360961C00212918039236
Arachidonic acidArachidonic acidME725834444899C0021983433991
GlucoseGlucoseME72580864689C00221659798319
LactoseLactoseME725776440995C00243935640191
TaurineTaurineME7257201123C00245556690326
Glyceric acidGlyceric acidME725802439194C00258377495189
HypoxanthineHypoxanthineME725786790C00262619128265
HomoserineHomoserineME72578812647C00263443878218
InosineInosineME7257846021C00294897184230
UridineUridineME7257076029C00299861508217
CitrullineCitrullineME7258209750C00327621404157
PhosphoethanolaminePhosphoethanolamineME7257401015C00346603912299
Uric acidUric acidME7257081175C00366730691441
Tocopherol alpha-alpha-TocopherolME725716638015C003761067809237
XylitolXylitolME7257046912C00379567437217
XanthineXanthineME7257051188C00385701688353
GuanosineGuanosineME7257956802C00387954962324
HexitolSorbitolME725792453C00392704741217
MannitolMannitolME7257636251C00392663215319
IsoleucineIsoleucineME7257806306C00407359251158
RibitolRibitolME725730827C00474575497217
LyxoseLyxoseME725767439240C00476541086217
LyxitolL-ArabitolME725768439255C00532573587217
NoradrenalineXi-NorepinephrineME725752439260C00547754841174
BenzylalcoholBenzyl alcoholME7258292879C00556280360165
GlycocyamineGuanidoacetic acidME725797763C00581511016171
Isothreonic acidD-Threonic acidME725779151152C00639489385292
Malic acidMalic acidME725766525C00711463180233
Oleic acidOleic acidME725749445639C00712779120339
HexoseHexoseME725791206C00738642640319
SqualeneSqualeneME725724638072C0075197623795
CreatinineCreatinineME725818588C00791502599115
SorbitolSorbitolME7257255780C00794667922217
TagatoseD-TagatoseME725721439312C00795636627307
Pantothenic acidPantothenic acidME7257446613C00864690887291
AminomalonateAminomalonic acidME725837100714C00872455754218
alpha-Aminoadipic acidalpha-Aminoadipic acidME72583992136C00956573295260
GalactoseGalactoseME725810439357C00984648756319
4-Hydroxybutyric acid4-Hydroxybutyric acidME72584910413C00989325027233
N-Acetylaspartic acidN-Acetylaspartic acidME72575665065C01042548028158
3-Hydroxybutyric acid3-Hydroxybutyric acidME72585292135C01089278829191
Pyrogallol1,2,3-TrihydroxybenzeneME7257331057C01108495011239
Trans-4-hydroxy-L-prolinetrans-4-HydroxyprolineME7257155810C01157459475158
Glucose-6-phosphateGlucose 6-phosphateME725806439427C01172810287387
Lactic acidLactic acidME725778612C01432219848191
Capric acidCapric acidME7258252969C01571452386229
Hippuric acidHippuric acidME725789464C01586636836206
Linoleic acidLinoleic acidME7257705280450C01595777414150
Threonic acidThreonic acidME7257195460407C01620497572292
Ribonic acidRibonic acidME7257295460677C01685597646292
beta-SitosterolSitosterolME725827222284C017531128225129
MaltotrioseMaltotrioseME725764439586C018351176044361
OxoprolineOxoprolineME7257467405C01879485935156
1-MonopalmitinMG 16:0/0:0/0:0ME72586114900C01885901749129
ArabitolArabitolME72583694154C01904570685217
CellobioseCellobioseME7258246255C01971943858160
Indole-3-lactateIndolelactic acidME72578592904C02043764586202
Pseudo UridinePseudouridineME72573515047C02067813899217
Methylmalonic acidMethylmalonic acidME725759487C02170311617147
XylonolactoneD-Xylono-1,5-lactoneME725703439692C02266535176217
FructoseFructoseME725812439709C02336641863307
Erythronic acid lactoneErythrono-1,4-lactoneME7258135325915C02341407495247
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME72585643C02630506306247
Lauric acidLauric acidME7257743893C02679547906117
2-Aminobutyric acid2-Aminobutyric acidME7258586657C02721285825130
1,2,4-Benzenetriol1,2,4-TrihydroxybenzeneME72586510787C02814521803239
Hexose-6-phosphateHexose 6-phosphateME725790208C02965806282387
Methionine sulfoxideMethionine sulfoxideME725760158980C02989605401128
Glycerol-alpha-phosphatesn-Glycero-3-phosphateME725799754C03189590747357
Inositol-4-monophosphateInositol 4-phosphateME725782440043C03546845976315
p-Hydroxylphenyllactic acid4-Hydroxyphenyllactic acidME7257399378C03672654036308
PinitolPinitolME725738164619C03844622466260
N-acetyl-D-hexosamineN-AcetylhexosamineME72575524139C03878746341319
Lactobionic acidLactobionic acidME7257777314C04247972139204
Glycerol-3-GalactosideGalactosylglycerolME72580016048618C05401805227204
Dehydroascorbic acidL-Dehydroascorbic acidME725815440667C05422633423173
5-Methoxytryptamine5-MethoxytryptamineME7258461833C05659864466174
2-Hydroxybutanoic acid2-Hydroxybutyric acidME725857440864C05984258161131
Adipic acidAdipic acidME725841196C06104474435111
Salicylaldehyde2-HydroxybenzaldehydeME7257276998C06202406586193
Myristic acidMyristic acidME72575711005C06424634414285
Arachidic acidArachidic acidME72583510467C06425856421117
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME72585316069996C06474588886231
LactuloseLactuloseME72577511333C07064929908204
AcetophenoneAcetophenoneME7258457410C07113238615105
1,5-Anhydroglucitol1,5-AnhydrosorbitolME72586364960C07326633603217
Behenic acidBehenic acidME7258318215C08281920648117
Lignoceric acidLignoceric acidME72577111197C08320978597132
Galacturonic acidGalacturonic acidME725809441476C08348678231333
Palmitoleic acidPalmitoleic acidME725745445638C08362706508311
Dehydroabietic acidDehydroabietic acidME72581694391C12078850374239
DihydrocholesterolDihydrocholesterolME72581466066C129781082070215
OctadecylglycerolMG O-18:0ME7257503681C13858928878205
HexadecylglycerolMG O-16:0ME72579372733C13859867593205
cis-Gondoic acidcis-Gondoic acidME7258225282768C16526847372367
Nonadecanoic acidNonadecylic acidME72575312591C16535822782117
ButylamineButylamineME7258268007C18706249493174
OctadecanolStearyl alcoholME7257518221D01924755409327
1-MonostearinMG 18:0/0:0/0:0ME72586024699D01947959214203
1,3-Dihydroxypyridine-ME72586428115-444696240
1-MonooleinMG 18:1(9Z)/0:0/0:0ME7258625283468-952623129
2,5-Dihydroxypyrazine2,5-DihydroxypyrazineME72585923368901-397526241
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME72585598009-309587131
2-MonooleinMG 0:0/18:1(9Z)/0:0ME7258545319879-941794129
3-Hydroxypalmitic acid3R-Hydroxypalmitic acidME72585115569776-774930233
4-Hydroxyhippuric acid4-Hydroxyhippuric acidME725848151012-784581294
Conduritol-beta-epoxideConduritol epoxideME7258199989541-675635318
Heptadecanoic acidMargaric acidME72579410465-751309117
HydroxycarbamateHydroxycarbamic acidME72578716639161-325318278
Isohexonic acid-ME725781604-698302333
LevoglucosanGlucosanME7257722724705-569637204
MethanolphosphateMethanolphosphateME72576213130-289520241
Pentonic acid-ME72574310264-596671292
Pipecolinic acidPipecolic acidME7257376931662-404121156


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