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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
1,3,5-trimethylcyanuric acid-ME254687--416269171
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME254686250402-384796292
2,4-diaminobutyric acid2,4-Diaminobutyric acidME254685134490C03283441621100
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME25468823368901-397526241
2-aminobutyric acid2-Aminobutyric acidME2546846657C02721285825130
2-deoxypentitol NIST2-Deoxy-D-ribitolME254683249377-521785231
2-deoxytetronic acid3,4-Dihydroxybutyric acidME254682150929-433456189
2-hydroxybutanoic acid2-Hydroxybutyric acidME254681440864C05984258161131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME25468043C02630506306247
2-piperidinobenzonitrile NIST-ME2546792774355-578923185
3-aminoisobutyric acid3-Aminoisobutanoic acidME25467864956C05145452655248
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME2546771662C03761521554247
3-hydroxybutyric acid3-Hydroxybutyric acidME25467692135C01089278632191
3-phosphoglycerate3-Phosphoglyceric acidME254675724C00597610734227
4-hydroxybutyric acid4-Hydroxybutyric acidME25467410413C00989325027233
6-deoxyglucitol6-DeoxyglucitolME254673151266-599776117
6-deoxyglucoseQuinovoseME254672441480C08352573663117
aconitic acidcis-Aconitic acidME254671643757C00417586815229
adenosine-5-monophosphateAMPME2546706083C000201041375315
alanineAlanineME2546695950C00041244189116
allantoic acidAllantoic acidME254668203C00499726050259
alloxanoic acid NISTAlloxanoic acidME25466794146-584472331
alpha-aminoadipic acidalpha-Aminoadipic acidME25466692136C00956573295260
alpha-ketoglutarate2-Oxoglutaric acidME25466551C00026507392198
aminomalonateAminomalonic acidME254664100714C00872455754218
arachidonic acidArachidonic acidME254663444899C0021983433991
ascorbic acidVitamin CME25466254670067C00072672898332
asparagineAsparagineME2546616267C00152553078188
aspartic acidAspartic acidME2546605960C00049480387232
benzoic acidBenzoic acidME254659243C00180339067179
beta-alaninebeta-AlanineME254658239C00099435564248
beta-sitosterolSitosterolME254657222284C017531128225129
biphenylBiphenylME2546567095C06588426625154
capric acidCapric acidME2546552969C01571452386229
cholesterolCholesterolME2546545997C001871078536129
cholic acidCholic acidME254653221493C054631109517253
citric acidCitric acidME254652311C00158617342273
citrullineCitrullineME2546519750C00327621404157
conduritol-beta-epoxideConduritol epoxideME2546509989541-675635318
creatinineCreatinineME254649588C00791502599115
cyanoalanineCyanoalanineME254648--404807141
cysteineCysteineME2546475862C00097500158220
cytosinCytosineME254646597C00380486724254
dehydroascorbic acidL-Dehydroascorbic acidME254645440667C05422633423173
erythritolErythritolME254644222285C00503471922217
erythronic acid lactoneErythrono-1,4-lactoneME2546435325915C02341407495247
ethanolamineEthanolamineME254642700C00189343800174
fructoseFructoseME254641439709C02336641863307
fucoseFucoseME254640439650C02095578299160
fumaric acidFumaric acidME254639444972C00122390775245
glucoseGlucoseME25463864689C00221675179217
glucose-1-phosphateGlucose 1-phosphateME25463765533C00103594647217
glucose-6-phosphateGlucose 6-phosphateME254636439427C01172810287387
glutamic acidGlutamic acidME25463533032C00025529100246
glutamineGlutamineME2546345961C00064600315156
glutaric acidGlutaric acidME254633743C00489421596261
glyceric acidGlyceric acidME254632439194C00258377495189
glycerolGlycerolME254631753C00116344466205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME254630754C03189590747357
glycineGlycineME254629750C00037368707248
glycolic acidGlycolic acidME254628757C00160227636177
heptadecanoic acidMargaric acidME25462710465-751309117
hexadecaneHexadecaneME25462611006-52596485
hexuronic acidHexuronic acidME254625152867-667373160
hippuric acidHippuric acidME254624464C01586636836206
hydroxycarbamate NISTHydroxycarbamic acidME25462316639161-325318278
hydroxylamineHydroxylamineME254622787C00192255241146
indole-3-propionic acid3-Indolepropionic acidME2546213744-732249202
isocitric acidIsocitric acidME2546205318532C00451617338245
isohexonic acid-ME254619604-698302333
isoleucineIsoleucineME2546186306C00407359251158
isoriboseD-RibopyranoseME25461710975657-558730217
isothreonic acidD-Threonic acidME254616151152C00639489385292
lactamideLactamideME25461594220-265698232
lactic acidLactic acidME254614612C01432217657191
lauric acidLauric acidME2546133893C02679547906117
leucineLeucineME2546126106C00123345575158
levoglucosanGlucosanME2546112724705-569637204
lignoceric acidLignoceric acidME25461011197C08320978597132
linoleic acidLinoleic acidME2546095280450C01595777414150
lysineLysineME2546085962C00047663483156
lyxitolL-ArabitolME254607439255C00532573587217
malic acidMalic acidME254606525C00711463180233
maltoseMaltoseME254605439186C00208946601204
mannoseMannoseME25460418950C00159645856205
methanolphosphateMethanolphosphateME25460313130-289520241
methionineMethionineME2546026137C00073483560176
methyl O-D-galactopyranosideMethyl beta-D-galactosideME25460194214C03619630836204
myo-inositolMyo-inositolME254600892C00137730022305
myristic acidMyristic acidME25459911005C06424634414285
N-acetyl-5-hydroxytryptamineN-AcetylserotoninME254598903C0097884613293
n-acetyl-d-hexosamineN-AcetylhexosamineME25459724139C03878746341319
N-acetylglucosamineN-Acetyl-D-glucosamineME254596439281C00645846223232
N-acetylglycine NISTN-AcetylglycineME25459510972-356109174
N-acetylornithineN-AcetylornithineME254594439232C00437697086174
nicotinic acidNicotinic acidME254593938C00253353934180
ornithineOrnithineME2545926262C00077529384142
orotic acidOrotic acidME254591967C00295586317254
oxalic acidOxalic acidME254590971C00209260513190
oxoprolineOxoprolineME2545897405C01879485935156
palmitic acidPalmitic acidME254588985C00249713809313
palmitoleic acidPalmitoleic acidME254587445638C08362706508311
pantothenic acidPantothenic acidME2545866613C12276690887291
parabanic acid NISTParabanic acidME25458567126C00802464991100
pelargonic acidPelargonic acidME2545848158C01601399229117
phenylalaninePhenylalanineME2545836140C00079537804218
phenylethylaminePhenylethylamineME2545821001C05332510327174
phosphatePhosphoric acidME2545811004C00009345365314
phosphoenolpyruvatePhosphoenolpyruvic acidME25458058114173C00074518184211
phosphoethanolaminePhosphoethanolamineME2545791015C00346603912299
pinitolPinitolME254578164619-624716260
pipecolinic acidPipecolic acidME2545776931662-404121156
prolineProlineME254576145742C00148364523142
propane-1,3-diol NISTPropane-1,3-diolME25457510442C02457214380177
pseudo uridinePseudouridineME25457415047C02067813899217
putrescinePutrescineME2545731045C00138588119174
pyrophosphatePyrophosphateME2545721023C00013547021451
pyruvic acidPyruvic acidME2545711060C00022211668174
ribitolRibitolME254570827C00474575497217
ribonic acidRibonic acidME2545695460677C01685599680292
riboseRiboseME2545685779C00121553135217
serineSerineME2545675951C00065395020218
shikimic acidShikimic acidME2545668742C00493611100204
sophoroseSophoroseME254565441432C08250962064307
sorbitolSorbitolME2545645780C00794667922217
stearic acidStearic acidME2545635281C01530787622117
succinic acidSuccinic acidME2545621110C00042370608247
sucroseSucroseME2545615988C00089912704271
sulfuric acidTG 16:0_18:1_18:1ME2545601118C00059282411227
tagatoseD-TagatoseME254559439312C00795636627307
taurineTaurineME2545581123C00245556690326
threonic acidThreonic acidME2545575460407C01620497572292
threonineThreonineME2545566288C00188408777218
thymidineThymidineME2545555789C00214349402170
thymineThymineME2545541135C00178420133255
tocopherol alpha-alpha-TocopherolME254553638015C003761066526237
trans-4-hydroxyprolinetrans-4-HydroxyprolineME2545525810C01157484934140
tryptophanTryptophanME2545516305C00078780482202
tyrosineTyrosineME2545506057C00082671252218
UDP-glucuronic acidUDP-glucuronic acidME25454917473C00167587601217
uracilUracilME2545481174C00106385816241
ureaUreaME2545471176C00086326574189
uric acidUric acidME2545461175C00366730691441
valineValineME2545456287C00183313502144
xanthosineXanthosineME25454464959C01762926133325
xylitolXylitolME2545436912C00379567437217
xyloseXyloseME254542135191C00181543267103
xylulose NISTXyluloseME254541439205C00312553450173


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