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Analysis: GC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Arabino-1,4-lactoneD-Arabinono-1,4-lactoneME42365417723-14.54-
Glycylhenylalanine (Gly-Phe)Gly-PheME42365592953-21.59-
Threonic acidThreonic acidME423656151152-13.60-
N-Acetylglutamic acidN-Acetylglutamic acidME423657185-12.99-
6-DeoxyglucoseQuinovoseME42365893579-15.54-
Pentadecanoic acidPentadecylic acidME42365913849-17.94-
N-MethylalanineN-MethylalanineME4236607515-8.41-
alpha-Tocopherolalpha-TocopherolME4236612116-27.47-
Phenylacetic acidPhenylacetic acidME423662999-10.26-
Aminomalonic acidAminomalonic acidME423663100714-12.51-
O-PhosphoethanolaminePhosphoethanolamineME4236641015-16.18-
beta-Alaninebeta-AlanineME423665239-11.99-
BiuretBiuretME4236667913-15.63-
3-Hydroxypyridine3-HydroxypyridineME4236677971-7.92-
1,3-Diaminopropane1,3-DiaminopropaneME423668428-14.68-
Succinic acidSuccinic acidME4236691110-10.45-
Fumaric acidFumaric acidME423670444972-10.95-
Sorbic acidSorbic acidME423671643460-8.57-
PutrescinePutrescineME4236721045-15.74-
Maltotriose or similar trisaccharideMaltotrioseME423673439586-30.62-
Glutaric acidGlutaric acidME423674743-11.68-
SqualeneSqualeneME423675638072-25.29-
MonooleinMG 18:1ME42367612178130-24.80-
Oleic acidOleic acidME423677445639-20.50-
Docosanoic acidBehenic acidME4236788215-23.96-
GuanosineGuanosineME423679135398635-24.87-
delta-Tocopheroldelta-TocopherolME42368092094-25.86-
Vanillic acidVanillic acidME4236818468-16.01-
SphingosineSphingosineME4236825280335-22.87-
alpha-MonostearinMG 18:0/0:0/0:0ME42368315560610-24.97-
Caprylic acidCaprylic acidME423684379-9.78-
SpermidineSpermidineME4236851102-20.82-
StearamideStearamideME42368631292-22.41-
Pyruvic acidPyruvic acidME4236871060-6.56-
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME423688439939-13.80-
N-Acetylneuraminic acid (Neu5Ac)N-Acetylneuraminic acidME423689445063-23.79-
DihydrosphingosineSphinganineME4236906603822-23.13-
Sulfurol5-(2-Hydroxyethyl)-4-methylthiazoleME4236911136-11.25-
Erythronic acidErythronic acidME4236922781043-13.40-
EthanolamineEthanolamineME423693700-9.80-
Malonic acidMalonic acidME423694867-11.57-
MonolaurinMG 12:0ME42369514871-20.34-
Caproic AcidCaproic acidME4236968892-6.96-
Lauric acidLauric acidME4236973893-14.77-
XanthosineXanthosineME42369864959-24.16-
Aldopentoses (Arabinose)ArabinoseME42369966308-14.81-
ProlineProlineME423700145742-10.24-
ErythritolTheitolErythritolME423701222285-12.96-
Aldo/Keto pentose-5-phosphatePentose 5-phosphateME42370223615346-19.41-
2,3-Dihydroxypyridine2,3-DihydroxypyridineME42370328115-10.46-
DilaurinDG 12:0_12:0ME42370433979-27.45-
Raffinose or similar trisaccharideRaffinoseME42370546223008-29.16-
Loganin or similar glycosideLoganinME42370687691-25.86-
CysteinylglycineCys-GlyME423707439498-18.93-
2-Aminoacrylic acid2-Aminoacrylic acidME423708123991-8.77-
Methyl tryptophanMethyltryptophanME423709676159-9.05-
2-Methylglyceric acid (2-Me-Glyc-Acid)2,3-Dihydroxyisobutyric acidME423710560781-10.49-
2-PalmitoylglycerolMG 0:0/16:0/0:0ME423711123409-23.27-
Aldopentoses (Ribose)RiboseME42371290428-14.99-
AlanylalanineAla-AlaME423713601-14.12-
beta-Hydroxybutyric acid3-Hydroxybutyric acidME42371423676771-8.23-
OleamideOleamideME4237155283387-21.77-
Methionine sulfoxideMethionine sulfoxideME42371625244659-17.00-
Decanoic AcidCapric acidME4237172969-12.39-
2-Methylserine2-MethylserineME42371894309-9.18-
GlucosamineGlucosamineME423719439213-17.90-
Glycerol-1-phosphatesn-Glycero-3-phosphateME42372043835013-15.92-
Galactinol or similar disaccharideGalactinolME42372111727586-26.10-
CitrullineCitrullineME4237229750-16.64-
Palmitoleic acidPalmitoleic acidME423723445638-18.71-
Butane-1,2,3-triol1,2,3-ButanetriolME42372420497-10.09-
Leucine/isoleucineLeucine/IsoleucineME4237256306-10.16-
CadaverineCadaverineME423726273-16.81-
Glyceric acidGlyceric acidME423727752-10.64-
CampesterolCampesterolME423728173183-28.33-
Pinitol or similar methoxyinositolPinitolME423729164619-16.69-
2-Hydroxy-3-methylvaleric acid (2-Hyd-3-met-val-ac...-ME4237307991-9.34-
Pentonic acids-ME423731122045-16.00-
PentitolsArabitolME42373294154-15.50-
KetopentoseD-RibuloseME423733151261-14.98-
Dehydroascorbic acidL-Dehydroascorbic acidME423734440667-16.88-
Dipicolinic acid2,6-Pyridinedicarboxylic acidME42373510367-15.67-
TyrosolTyrosolME42373610393-13.81-
DihydrouracilDihydrouracilME423737649-12.30-
Heptadecanoic acidMargaric acidME42373810465-19.84-
Arachidonic acidArachidonic acidME423739444899-21.81-
SerotoninSerotoninME4237405202-23.00-
Ascorbate, vitamin CVitamin CME42374154670067-17.89-
Glucose and similar aldohexosesHexoseME423742107526-17.58-
HydroxyprolineHydroxyprolineME423743825-13.22-
HistamineHistamineME423744774-17.19-
TyramineTyramineME4237455610-17.61-
Gluconic acidGluconic acidME42374610690-18.42-
Galactaric acidGalactaric acidME4237473037582-18.83-
CysteineCysteineME42374867678-13.59-
Syringic acidSyringic acidME42374910742-17.40-
1,2,4-Benzenetriol1,2,4-TrihydroxybenzeneME42375010787-14.14-
Pipecolic acidPipecolic acidME423751849-11.17-
TricaprylinTG 8:0/8:0/8:0ME42375210850-28.65-
TrilaurinTG 12:0/12:0/12:0ME42375310851-30.32-
Aminoadipic acidAminoadipic acidME423754469-15.38-
alpha-MonopalmitinMG 16:0/0:0/0:0ME42375514900-23.53-
gamma-Tocopherolgamma-TocopherolME42375692729-26.52-
N-AcetylglycineN-AcetylglycineME42375710972-15.05-
Myristic acidMyristic acidME42375811005-16.93-
3-Hydroxyanthranilic acid (3-Hydroxy-Ant-Ac)3-Hydroxyanthranilic acidME42375986-17.08-
3,4-Dihydroxybutanoic acid (3,4-diOH-But)3,4-Dihydroxybutyric acidME42376010920498-12.01-
gamma-Aminobutyric Acidgamma-Aminobutyric acidME423761119-13.29-
GlycineGlycineME423762750-10.35-
AlanineAlanineME4237635950-7.38-
SerineSerineME4237645951-11.06-
2-Hydroxybutyric acid2-Hydroxybutyric acidME423765440864-7.72-
Glucose-6-phosphateGlucose 6-phosphateME4237665958-21.31-
GlycerolGlycerolME423767753-9.86-
Aspartic acidAspartic acidME4237685960-13.14-
GlutamineGlutamineME4237695961-16.09-
Glutamic acidGlutamic acidME42377033032-13.17-
LysineLysineME4237715962-17.66-
CystineCystineME423772595-20.88-
Palmitic acidPalmitic acidME423773985-18.91-
Stearic acidStearic acidME4237745281-20.73-
FructoseFructoseME4237755984-17.11-
SucroseSucroseME4237765988-23.88-
CholesterolCholesterolME4237775997-27.60-
AnserineAnserineME423778112072-24.25-
Aconitic acidcis-Aconitic acidME423779643757-15.80-
InosineInosineME423780135398641-23.40-
UridineUridineME4237816029-22.42-
MonomyristinMG 14:0ME42378279050-21.99-
4-Hydroxybutyric acid (4-OH-But)4-Hydroxybutyric acidME42378310413-9.35-
HistidineHistidineME4237846274-17.62-
2-Hydroxyisobutyric acid (2-OH-Iso-But-Ac)2-Hydroxyisobutyric acidME42378511671-6.78-
Citric acidCitric acidME423786311-16.56-
Niacin, vitamin B3Nicotinic acidME423787938-10.21-
Melezitose or similar disaccharideMelezitoseME42378816217716-29.85-
TyrosineTyrosineME4237896057-17.83-
CysteamineCysteamineME4237906058-21.43-
HomocysteineHomocysteineME42379191552-14.87-
CreatinineCreatinineME423792588-13.59-
Linoleic acidLinoleic acidME4237935280450-20.45-
Adenosine-5'-monophosphate (AMP)AMPME4237946083-26.87-
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME42379598009-8.29-
Malic acidMalic acidME423796222656-12.73-
Docosahexaenoic acid, 22-6, n-3 (DHA)DHAME423797445580-23.47-
6-Methyluracil6-MethyluracilME42379812283-11.15-
PalmitamidePalmitamideME42379969421-20.71-
Sumiki's AcidSumiki's acidME42380080642-13.53-
MethionineMethionineME4238016137-13.15-
PhenylalaninePhenylalanineME4238026140-14.46-
Fructose-6-phosphateFructose 6-phosphateME42380369507-21.21-
4-Hydroxyphenyllactic acid (4-HPLA)4-Hydroxyphenyllactic acidME4238049378-17.41-
Pyridoxine, vitamin B6PyridoxineME4238051054-17.38-
ThymineThymineME4238061135-11.77-
UracilUracilME4238071174-10.77-
HomoserineHomoserineME42380812647-12.25-
HypoxanthineHypoxanthineME423809790-16.46-
4-Oxobutanoic acidSuccinic acid semialdehydeME4238101112-8.64-
Maltose or similar disaccharideMaltoseME4238116255-24.68-
XanthineXanthineME4238121188-18.58-
Uric acidUric acidME4238131175-19.36-
OrnithineOrnithineME4238146262-16.57-
GlycylprolineGly-ProME42381579101-18.27-
AsparagineAsparagineME423816236-14.92-
CytosineCytosineME423817597-13.18-
SpermineSpermineME4238181103-24.12-
LeucroseLeucroseME42381912305019-24.85-
ValineValineME4238206287-9.05-
ThreonineThreonineME4238216288-11.40-
TryptophanTryptophanME4238226305-20.46-
AdenineAdenineME423823190-17.12-
Myoinositol-2-phosphatemyo-Inositol 2-phosphateME423824160886-22.14-
GuanineGuanineME423825764-19.61-
Phosphoric acidPhosphoric acidME4238261004-9.82-
Glycolic acidGlycolic acidME423827757-6.97-
Lactic acidLactic acidME423828107689-6.73-
Panthothenic acid, vitamin B5Pantothenic acidME4238296613-18.34-
O-MethylphosphateMethanolphosphateME42383013130-8.47-
3-Phenyllactic acid (3-Phe-Lac-Ac)Phenyllactic acidME4238313848-13.94-
1,2-Dicaprin-ME4238321321-30.23-
beta-SitosterolSitosterolME423833222284-28.96-
StigmasterolStigmasterolME4238345280794-28.50-
Pyrogallol1,2,3-TrihydroxybenzeneME4238351057-13.41-
Saccharic acidGlucaric acidME42383633037-18.54-
MyoinositolMyo-inositolME423837892-19.31-
RIbitolRibitolME423838827-15.31-
beta-Alanyllysine-ME423839440638-23.16-
ThreoseThreoseME423840439574-12.27-
AllantoinAllantoinME423841204-19.10-
N-AcetylalanineN-AcetylalanineME42384288064-9.68-
Niacinamide, vitamin B3NiacinamideME423843936-12.69-


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