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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 acidME2641351004C00009345365314
pyruvic acidPyruvic acidME2641301060C00022211668174
glutamic acidGlutamic acidME26419533032C00025529100246
alpha-ketoglutarate2-Oxoglutaric acidME26422951C00026507392198
glycineGlycineME264188750C00037368707248
alanineAlanineME2642325950C00041243971116
succinic acidSuccinic acidME2641211110C00042370608247
lysineLysineME2641625962C00047663483156
aspartic acidAspartic acidME2642225960C00049480387232
glutamineGlutamineME2641945961C00064600000156
serineSerineME2641245951C00065395020218
methionineMethionineME2641546137C00073483560176
phosphoenolpyruvatePhosphoenolpyruvic acidME26413458114173C00074518184211
ornithineOrnithineME2641456262C00077527113142
tryptophanTryptophanME2641096305C00078780482202
phenylalaninePhenylalanineME2641366140C00079537804218
tyrosineTyrosineME2641086057C00082671252218
ureaUreaME2641061176C00086329351189
sucroseSucroseME2641205988C00089912704271
glucose-6-phosphateGlucose 6-phosphateME2641965958C00092818275387
cysteineCysteineME2642065862C00097500158220
beta-alaninebeta-AlanineME264220239C00099435564248
uracilUracilME2641071174C00106385816241
glycerolGlycerolME264191753C00116344466205
riboseRiboseME2641255779C00121553135217
fumaric acidFumaric acidME264199444972C00122390775245
leucineLeucineME2641646106C00123346101158
histidineHistidineME2641816274C00135663739154
myo-inositolMyo-inositolME264152892C00137730022305
asparagineAsparagineME2642236267C00152553078188
citric acidCitric acidME264210311C00158617342273
mannoseMannoseME26415718950C00159645856205
glycolic acidGlycolic acidME264187757C00160227636177
thymineThymineME2641131135C00178420133255
benzoic acidBenzoic acidME264221243C00180339067179
xyloseXyloseME264101135191C00181544100103
valineValineME2641036287C00183313502144
cholesterolCholesterolME2642145997C001871078536129
threonineThreonineME2641156288C00188408777218
ethanolamineEthanolamineME264203700C00189344719174
hydroxylamineHydroxylamineME264178787C00192253158146
oxalic acidOxalic acidME264143971C00209260513190
thymidineThymidineME2641145789C00214349402170
arachidonic acidArachidonic acidME264224444899C0021983433991
lactoseLactoseME264167440995C00243935640191
taurineTaurineME2641181123C00245556690326
palmitic acidPalmitic acidME264141985C00249713809313
glyceric acidGlyceric acidME264192439194C00258377495189
homoserineHomoserineME26418012647C00263443878218
orotic acidOrotic acidME264144967C00295586317254
quinic acidQuinic acidME2641296508C00296632897345
uridineUridineME2641046029C00299861508217
citrullineCitrullineME2642099750C00327621404157
uric acidUric acidME2641051175C00366731038441
tocopherol alpha-alpha-TocopherolME264112638015C003761067809237
xylitolXylitolME2641026912C00379567437217
hexitolSorbitolME264185453C00392704741217
mannitolMannitolME2641586251C00392663215319
isoleucineIsoleucineME2641726306C00407359251158
aconitic acidcis-Aconitic acidME264233643757C00417586815229
isocitric acidIsocitric acidME2641735318532C00451616323245
ribitolRibitolME264127827C00474575497217
lyxoseLyxoseME264160439240C00476541086217
itaconic acidItaconic acidME264170811C00490386511147
raffinoseRaffinoseME264128439242C004921120886361
allantoic acidAllantoic acidME264231203C00499726050259
lyxitolL-ArabitolME264161439255C00532573587217
3-phosphoglycerate3-Phosphoglyceric acidME264238724C00597610734227
isothreonic acidD-Threonic acidME264171151152C00639489385292
N-acetylmannosamineN-Acetyl-mannosamineME264149439281C00645735323319
malic acidMalic acidME264159525C00711463180233
oleic acidOleic acidME264146445639C00712781527339
creatinineCreatinineME264207588C00791502599115
sorbitolSorbitolME2641235780C00794667922217
tagatoseD-TagatoseME264119439312C00795629499307
gluconic acidGluconic acidME2641986857417C00800693148333
citramalic acidCitramalic acidME2642111081C00815456203247
aminomalonateAminomalonic acidME264227100714C00872455754218
indole-3-acetateIndoleacetic acidME264177802C00954684929202
alpha-aminoadipic acidalpha-Aminoadipic acidME26423092136C00956573295260
4-hydroxybutyric acid4-Hydroxybutyric acidME26423610413C00989325027233
trehaloseTrehaloseME2641107427C01083948197191
3-hydroxybutyric acid3-Hydroxybutyric acidME26423992135C01089278632191
trans-4-hydroxyprolinetrans-4-HydroxyprolineME2641115810C01157484934140
lactic acidLactic acidME264168612C01432217657191
stearic acidStearic acidME2641225281C01530787622117
capric acidCapric acidME2642152969C01571451790229
hippuric acidHippuric acidME264182464C01586636836206
linoleic acidLinoleic acidME2641635280450C01595777414150
pelargonic acidPelargonic acidME2641388158C01601399229117
threonic acidThreonic acidME2641165460407C01620497572292
ribonic acidRibonic acidME2641265460677C01685599680292
beta-sitosterolSitosterolME264217222284C017531128225129
oxoprolineOxoprolineME2641427405C01879485935156
arabitolArabitolME26422694154C01904570685217
indole-3-lactateIndolelactic acidME26417692904C02043764586202
pseudo uridinePseudouridineME26413215047C02067813899217
fucoseFucoseME264200439650C02095584895117
dodecanolDodecanolME2642058193C02277507619243
fructoseFructoseME264202439709C02336641863307
2-hydroxyglutaric acid2-Hydroxyglutaric acidME26424243C02630506306247
3-ureidopropionateUreidopropionic acidME264237111C02642554966161
lauric acidLauric acidME2641653893C02679547906117
hexose-6-phosphateHexose 6-phosphateME264184208C02965806282387
beta-glycerolphosphatesn-Glycero-2-phosphateME2642182526C02979574470243
butane-2,3-diol NIST2,3-ButanediolME264216262C03046205778117
glycerol-alpha-phosphatesn-Glycero-3-phosphateME264189754C03189590747357
pinitolPinitolME264133164619C03844622466260
n-acetyl-d-hexosamineN-AcetylhexosamineME26415024139C03878746341319
3-aminoisobutyric acid3-Aminoisobutanoic acidME26424064956C05145452655248
fructose-6-phosphateFructose 6-phosphateME264201440641C05345804279315
glycerol-3-galactosideGalactosylglycerolME26419016048618C05401805227204
5-methoxytryptamine5-MethoxytryptamineME2642341833C05659864466174
2-hydroxybutanoic acid2-Hydroxybutyric acidME264243440864C05984258161131
myristic acidMyristic acidME26415111005C06424634414285
arachidic acidArachidic acidME26422510467C06425856421117
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME26424116069996C06474588886231
epsilon-caprolactamEpsilon-caprolactamME2642047768C06593353069170
lactuloseLactuloseME26416611333C07064929908204
pentobarbital NISTPentobarbitalME2641374737C07422605665141
palmitoleic acidPalmitoleic acidME264140445638C08362706508311
pantothenic acidPantothenic acidME2641396613C12276690887291
4-methylbenzenesulfonamideToluene-4-sulfonamideME2642356269C14412609097228
cis-gondoic acidcis-Gondoic acidME2642135282768C16526847372367
nonadecanoic acidNonadecylic acidME26414812591C16535822782117
threitolThreitolME264117169019C16884467595217
1,3,5-trimethylcyanuric acid-ME264247--416269171
1-monooleinMG 18:1(9Z)/0:0/0:0ME2642465283468-952623129
2-deoxypentitol NIST2-Deoxy-D-ribitolME264245249377-521785231
2-deoxytetronic acid3,4-Dihydroxybutyric acidME264244150929-433456189
altrose-ME264228--651039157
beta-glutamic acidIsoglutamic acidME264219--486696160
citraconic acidCitraconic acidME264212--391063147
conduritol-beta-expoxideConduritol epoxideME2642089989541-701723318
glucoseGlucoseME264197--678811217
glutaric acidGlutaric acidME264193--419420261
heptadecanoic acidMargaric acidME26418610465-751309117
hexuronic acidHexuronic acidME264183--673957333
hydroxycarbamate NISTHydroxycarbamic acidME26417916639161-325318278
indole-3-propionic acid3-Indolepropionic acidME2641753744-732249202
isobutene glycol NISTIsobutene glycolME26417468410-229353129
lactamideLactamideME26416994220-265698232
methanolphosphateMethanolphosphateME26415613130-289520241
metharbitalMetharbitalME264155--574906155
methionine sulfoxideMethionine sulfoxideME264153--589171128
octadecanolStearyl alcoholME2641478221-755409327
p-tolyl glucuronideP-Cresol glucuronideME264131154035-847531180


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