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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
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME763987445675C00043627437226
glutamineGlutamineME7639885961C00064600000156
fructose-6-phosphateFructose 6-phosphateME763986440641C05345804279315


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 acidME7640371004C00009345365314
pyrophosphatePyrophosphateME7640281023C00013327517110
adenosine-5-monophosphateAMPME7641756083C000201038688315
glutamic acidGlutamic acidME76411833032C00025489240174
alpha-ketoglutarate2-Oxoglutaric acidME76416951C00026507392198
glycineGlycineME764110750C00037368707248
alanineAlanineME7641735950C00041244189116
succinic acidSuccinic acidME7640121110C00042370608247
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME764001445675C00043625003226
lysineLysineME7640805962C00047663483317
glutathioneGlutathioneME764115124886C00051761296213
glutamineGlutamineME7641175961C00064600000156
serineSerineME7640205951C00065338576116
ascorbic acidVitamin CME76416454670067C00072672898332
methionineMethionineME7640686137C00073483560176
phosphoenolpyruvatePhosphoenolpyruvic acidME76403658114173C00074518184211
ornithineOrnithineME7640496262C00077527113142
tryptophanTryptophanME7640036305C00078780482202
phenylalaninePhenylalanineME7640386140C00079537804192
tyrosineTyrosineME7640026057C00082671252218
ureaUreaME7639991176C00086326574189
sucroseSucroseME7640115988C00089915139271
glucose-6-phosphateGlucose 6-phosphateME7641205958C00092808788387
cysteineCysteineME7641445862C00097500158220
beta-alaninebeta-AlanineME764158239C00099435564248
glucose-1-phosphateGlucose 1-phosphateME76412165533C00103597071217
uracilUracilME7640001174C00106385735241
ribose-5-phosphateRibose 5-phosphateME764023439167C00117731096315
riboseRiboseME76402410975657C00121553071217
fumaric acidFumaric acidME764131444972C00122390016245
leucineLeucineME7640856106C00123346101158
inosine 5-monophosphateIMPME7640968582C001301017548169
myo-inositolMyo-inositolME764064892C00137730022305
putrescinePutrescineME7640291045C00138588119174
phenolPhenolME764039996C00146218927151
adenineAdenineME764177190C00147646701264
prolineProlineME764031145742C00148364523142
asparagineAsparagineME7641636267C00152553743231
nicotinamideNiacinamideME764056936C00153471602179
citric acidCitric acidME764148311C00158617342273
mannoseMannoseME76407218950C00159645856205
glycolic acidGlycolic acidME764109757C00160227636177
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME764181439176C00170967036236
benzoic acidBenzoic acidME76415920144841C00180339954179
xyloseXyloseME763990135191C00181543267103
valineValineME7639966287C00183313502144
cholesterolCholesterolME7641515997C001871078536129
threonineThreonineME7640076288C00188408777218
ethanolamineEthanolamineME764136700C00189344675174
glucuronic acidGlucuronic acidME76411994715C00191665901333
gluconolactoneGluconolactoneME7641237027C00198643576220
ribulose-5-phosphateRibulose 5-phosphateME764022439184C00199735908357
maltoseMaltoseME764074439186C00208946601361
adenosineAdenosineME76417660961C00212918039236
arachidonic acidArachidonic acidME764165444899C0021983711591
glucoseGlucoseME76412264689C00221657941319
taurineTaurineME7640101123C00245558857326
palmitic acid overloaded-ME764047985C00249713121313
isomaltoseIsomaltoseME764093439193C00252983199361
nicotinic acidNicotinic acidME764055938C00253353428180
glyceric acidGlyceric acidME764114752C00258377308189
hypoxanthineHypoxanthineME764101790C00262619128265
homoserineHomoserineME76410412647C00263443878218
N-acetylneuraminic acidN-Acetylneuraminic acidME764058439197C00270913814246
inosineInosineME7640976021C00294897434230
uridineUridineME7639976029C00299861508217
xyluloseXyluloseME763989439205C00312553450173
citrullineCitrullineME7641479750C00327621404157
4-aminobutyric acid4-Aminopentanoic acidME764184119C00334488730304
gamma-aminobutyric acidgamma-Aminobutyric acidME764126119C00334364801102
phosphogluconic acidPhosphogluconic acidME76403491493C00345847013299
phosphoethanolaminePhosphoethanolamineME7640351015C00346604335299
uric acidUric acidME7639981175C00366731038441
xylitolXylitolME7639936912C00379567437217
malonic acidMalonic acidME764075867C00383305372233
xanthineXanthineME7639951188C00385701688353
guanosineGuanosineME7641086802C00387954962324
isoleucineIsoleucineME7640946306C0040729526986
pipecolinic acidPipecolic acidME7640326931662C00408404121156
aconitic acidcis-Aconitic acidME764178643757C00417586815229
5-aminovaleric acid5-Aminopentanoic acidME764182138C00431536657174
ribitolRibitolME764026827C00474575497217
lyxoseLyxoseME764079439240C00476540818217
glutaric acidGlutaric acidME764116743C00489421596261
raffinoseRaffinoseME764027439242C004921120886361
shikimic acidShikimic acidME7640188742C00493611100204
allantoic acidAllantoic acidME764172203C00499726050259
erythritolErythritolME764138222285C00503471922217
hypotaurineHypotaurineME764102107812C00519525092188
noradrenalineXi-NorepinephrineME764052439260C00547754841174
3-phosphoglycerate3-Phosphoglyceric acidME764185724C00597610734227
cholesteroneCholestenoneME76415091477C005991095940456
isothreonic acidD-Threonic acidME764091151152C00639489385292
malic acidMalic acidME764076525C00711463180233
oleic acidOleic acidME764050445639C00712781527339
squaleneSqualeneME764015638072C0075197623795
serotoninSerotoninME7640195202C00780863824174
creatinineCreatinineME764145588C00791502599115
sorbitolSorbitolME7640165780C00794667922217
gluconic acidGluconic acidME7641246857417C00800693148333
parabanic acidParabanic acidME76404367126C00802464991100
aminomalonic acidAminomalonic acidME764168100714C00872455754133
galactonic acidGalactonic acidME764129128869C00880690882292
alpha-aminoadipic acidalpha-Aminoadipic acidME76417092136C00956573295260
galactoseGalactoseME764128439357C00984648756319
4-hydroxybutyric acid4-Hydroxybutyric acidME76418310413C00989325027233
N-acetylaspartic acidN-Acetylaspartic acidME76406265065C01042548028158
3-hydroxybutyric acid3-Hydroxybutyric acidME76418692135C01089278829191
galactose-6-phosphateGalactose 6-phosphateME764127439404C01113828102387
trans-4-hydroxyprolinetrans-4-HydroxyprolineME7640055810C01157460662158
galactinolGalactinolME76413011727586C012351048207204
lactic acidLactic acidME764089612C01432217657191
caproic acidCaproic acidME7641538892C01585224373173
linoleic acidLinoleic acidME7640825280450C01595777285337
threonic acidThreonic acidME7640085460407C01620497572292
ribonic acidRibonic acidME7640255460677C01685597646292
beta-sitosterolSitosterolME764155222284C017531128225129
xanthosineXanthosineME76399464959C01762926133325
campesterolCampesterolME764154173183C017891105205129
maltotrioseMaltotrioseME764073439586C018351176044361
oxoprolineOxoprolineME7640487405C01879485935156
1-monopalmitinMG 16:0/0:0/0:0ME76420014900C01885901749371
arabitolArabitolME76416794154C01904572730103
lactoseLactoseME7640876134C01970936998204
N-acetylglycineN-AcetylglycineME76406110972C02055356109174
pseudo uridinePseudouridineME76403015047C02067813899217
glucoheptuloseGlucoheptuloseME7641255459879C02076828606217
fucoseFucoseME764132439650C02095578299160
methylmalonic acidMethylmalonic acidME764066487C02170311617147
xylonolactoneD-Xylono-1,5-lactoneME763991439692C02266535176217
digalacturonic acidDigalacturonic acidME764140439694C02273980132169
fructoseFructoseME764134439709C02336641863307
erythronic acid lactone isomerErythrono-1,4-lactoneME7641375325915C02341407495247
xylonic acid isomer-ME76399210264C02341590775189
tocopherol alpha-alpha-TocopherolME76400614985C024771067809237
2-hydroxyglutaric acid2-Hydroxyglutaric acidME76419343C02630506306247
lauric acidLauric acidME7640863893C02679548241257
N-acetylmethionineN-AcetylmethionineME764059448580C0271256844599
2-aminobutyric acid2-Aminobutyric acidME7641966657C02721286855130
beta-glycerolphosphatesn-Glycero-2-phosphateME7641562526C02979574470243
methionine sulfoxideMethionine sulfoxideME764067158980C02989637588128
glycerol-alpha-phosphatesn-Glycero-3-phosphateME764111754C03189590747357
inositol-4-monophosphateInositol 4-phosphateME764095440043C03546846510315
1-kestose1-KestoseME764202440080C036611123027361
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME7641871662C03761521554247
pinitolPinitolME764033164619C03844622466260
3-aminoisobutyric acid3-Aminoisobutanoic acidME76418864956C05145452655248
fructose-6-phosphateFructose 6-phosphateME764133440641C05345804279315
glycerol-3-galactosideGalactosylglycerolME76411216048618C05401800205204
melibioseMelibioseME764070440658C05402988497361
dehydroascorbic acidL-Dehydroascorbic acidME764142440667C05422633423173
5-methoxytryptamine5-MethoxytryptamineME7641801833C05659864466174
adipic acidAdipic acidME764174196C06104474435111
terephthalic acidTerephthalic acidME76400922416364C06337611213295
myristic acidMyristic acidME76406311005C06424634414285
arachidic acidArachidic acidME76416610467C06425856421117
linolenic acidOctadecatrienoic acidME7640815280934C06427780376335
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME76418916069996C06474588886231
triethanolamineTriethanolamineME7640047618C06771531892262
diethanolamineDiethanolamineME7641418113C06772353911130
maleimideMaleimideME76407710935C07272245118154
1,5-anhydroglucitol1,5-AnhydrosorbitolME76420364960C07326633603217
beta-gentiobiosebeta-GentiobioseME764157441422C08240974676204
melezitoseMelezitoseME76407192817C082431141909361
sophoroseSophoroseME764017441432C08250962064307
azelaic acidAzelaic acidME76416119347555C08261610551317
suberic acidSuberic acidME76401410457C08278567452169
behenic acidBehenic acidME7641608215C08281919293117
lignoceric acidLignoceric acidME76408311197C08320976497132
palmitoleic acidPalmitoleic acidME764046445638C08362706508311
2-picolinic acidPicolinic acidME7641901018C10164381532180
dehydroabietic acidDehydroabietic acidME76414394391C12078849349239
pantothenic acidPantothenic acidME7640446613C12276690887201
dihydrocholesterolDihydrocholesterolME76413966066C129781082070215
lactitolLactitolME764088157355C13542959541361
cis-gondoic acidcis-Gondoic acidME7641495282768C16526847372367
icosenoic acid -to check-ME7641005282768C1652684749395
nonadecanoic acidNonadecylic acidME76405312591C16535822782117
pentadecanoic acidPentadecylic acidME76404213849C16537674647117
heptanoic acidHeptylic acidME7641058094C17714286291187
oleamideOleamideME7640515283387C19670849710144
levoglucosanGlucosanME7640842724705C22350569637204
1-monostearinMG 18:0/0:0/0:0ME76419924699D01947959214203
1-monooleinMG 18:1(9Z)/0:0/0:0ME7642015283468-955584129
2,3-dihydroxypyridine2,3-DihydroxypyridineME76419828115-372944240
2,5-dihydroxypyrazine2,5-DihydroxypyrazineME76419723368901-397526241
2-deoxypentitol2-Deoxy-D-ribitolME764195249377-521785231
2-deoxytetronic acid3,4-Dihydroxybutyric acidME764194150929-433456189
2-hydroxyvaleric acid2-Hydroxyvaleric acidME76419298009-309587131
2-monooleinMG 0:0/18:1(9Z)/0:0ME7641915319879-941794129
6-Oxopiperidine-2-carboxylic acid6-oxopiperidine-2-carboxylic acidME7641793014237-481943170
alloxanoic acidAlloxanoic acidME76417194146-785329331
aspartic acidAspartic acidME764162--432544160
cerotinic acidCerotic acidME76415210469-1033286145
conduritol-beta-epoxideConduritol epoxideME7641469989541-675635318
flavin adenine degr.-ME764135444188-585245246
glycerolGlycerolME764113753-343794205
gulonolactoneL-GulonolactoneME764107165105-662445243
heptadecanoic acidMargaric acidME76410610465-751309117
hydroxycarbamateHydroxycarbamic acidME76410316639161-325948278
indole-3-lactateIndolelactic acidME76409992904-764079202
indole-3-propionic acid3-Indolepropionic acidME7640983744-779808202
isopalmitic acidIsopalmitic acidME76409236247-699862117
lactamideLactamideME76409094220-263097232
maleic acidMaleic acidME764078444266-365746245
methanolphosphateMethanolphosphateME76406913130-289520241
montanic acidMontanic acidME76406510470-1087377117
N-acetylmannosamineN-Acetyl-mannosamineME76406011096158-723255202
N-alpha-acetyllysineN(2)-AcetyllysineME764057192590-737044174
N-methyl-UMP-ME76405444602426-974825169
panosePanoseME76404594448-1189476204
pentadecanoic acid isomerPentadecylic acidME764041151014-650127117
pentono-gamma-lactone-ME764040219575-547150244
sedoheptulose 7-phosphateSedoheptulose 7-phosphateME764021--887974387
succinate semialdehydeSuccinic acid semialdehydeME7640139543238-294272113


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