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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
TARTARIC ACIDTartaric acidME297356---48.68
FUMARIC ACIDFumaric acidME297331---67.90
XYLULOSEXyluloseME297363---68.67
Glutamine [-H2O] (2TMS) BPGlutamineME297341---70.19
HEPTADECANOIC ACIDMargaric acidME297387---70.90
CYSTINECystineME297394---76.41
ASPARAGINE (4TMS)AsparagineME297353---76.79
chiro-INOSITOL1D-chiro-InositolME297380---88.13
HISTIDINEHistidineME297375---89.76
TYROSINETyrosineME297379---91.68
CYSTEINECysteineME297348---93.52
KYNURENINEKynurenineME297388---93.83
ALPHA-KETOGLUTARIC ACID2-Oxoglutaric acidME297349---94.93
VALINEValineME297325---95.51
ISOMALTOSEIsomaltoseME297402---95.80
SUCROSESucroseME297399---96.63
2-OXOBUTYRIC ACID3-Methyl pyruvic acidME297315---96.94
DODECANOIC ACIDLauric acidME297359---97.43
ORNITHINE (4TMS)OrnithineME297370---97.45
HEXADECANOIC ACIDPalmitic acidME297383---97.65
HIPPURIC ACID (2TMS)Hippuric acidME297369---97.67
PROLINEProlineME297329---98.19
1-PALMITOYL-sn-GLYCERO-3-PHOSPHOCHOLINE derivativeLPA 16:0/0:0ME297405---98.21
NA-ME297404---98.26
3-HYDROXYBUTYRIC ACID3-Hydroxybutyric acidME297320---98.31
L-Threonic acidThreonic acidME297346---98.51
MANNITOLMannitolME297377---98.53
ASPARAGINE (3TMS)AsparagineME297361---98.55
ISOLEUCINEIsoleucineME297328---98.64
Pseudo uridine-like-ME297395---98.67
RIBITOLRibitolME297365---98.69
GLUCURONIC ACIDGlucuronic acidME297378---98.71
LEUCINELeucineME297327---98.72
MALTOSE 2MaltoseME297401---98.72
CITRIC ACIDCitric acidME297371---98.96
PHENYLALANINEPhenylalanineME297354---99.04
XYLOSEXyloseME297358---99.04
scyllo-INOSITOLMyo-inositolME297381---99.05
URIC ACIDUric acidME297386---99.10
LYSINE (3TMS)LysineME297364---99.11
SERINESerineME297333---99.12
PALMITOLEIC ACIDPalmitoleic acidME297382---99.27
3,4-Dihydroxybutanoic acid-like-ME297339---99.28
myo-INOSITOLMyo-inositolME297384---99.29
1-STEAROYL-sn-GLYCERO-3-PHOSPHOCHOLINE derivativeLPC 18:0/0:0ME297409---99.30
HIPPURIC ACID (1TMS)Hippuric acidME297372---99.30
CHOLESTEROLCholesterolME297408---99.33
MALIC ACIDMalic acidME297342---99.39
ALPHA-TOCOPHEROLalpha-TocopherolME297407---99.47
GLUTAMIC ACIDGlutamic acidME297352---99.49
LYSINE (4TMS)LysineME297376---99.53
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME297398---99.58
ORNITHINE (3TMS)OrnithineME297351---99.61
TRYPTOPHANTryptophanME297390---99.61
ERYTHRITOLErythritolME297343---99.62
OCTADECANOIC ACIDStearic acidME297393---99.67
OCTADECENOIC ACID, 9-(Z)-ME297392---99.68
Cysteine, S-methyl-, DL- (2TMS)-ME297337---99.70
BETA-ALANINE (3TMS)beta-AlanineME297338---99.71
GLUTAMINE (4TMS)GlutamineME297350---99.71
UREAUreaME297322---99.72
HydroxyButyric acid-nTMSHydroxybutyric acidME297318---99.74
ADENOSINEAdenosineME297406---99.76
ALANINEAlanineME297316---99.76
Inositol-2-phosphate, myo- (7TMS)-ME297397---99.76
GLYCOLIC ACIDGlycolic acidME297314---99.77
TAURINETaurineME297360---99.77
EDTA_minor_peak-ME297396---99.78
2,3-Dihydroxybutanoic acid-like-ME297332---99.79
Iminodiacetic acid (3TMS)IminodiacetateME297345---99.83
2-AMINOBUTYRIC ACID2-Aminobutyric acidME297321---99.86
MALTOSE 1MaltoseME297400---99.86
4-HYDROXYPHENYLACETIC ACID4-Hydroxyphenylacetic acidME297357---99.88
Ethanolamine-like-ME297326---99.88
1,5-ANHYDRO-D-GLUCITOL1,5-AnhydrosorbitolME297373---99.92
3-HYDROXYISOVALERIC ACID3-Hydroxyisovaleric acidME297324---99.92
ACETAMINOPHENAcetaminophenME297355---99.94
Aminomalonic acid-like-ME297340---99.94
Drug-like-ME297367---99.94
BETA-ALANINE (2TMS)beta-AlanineME297323---99.95
5,6-Dihydrouracil-like-ME297319---99.96
FRUCTOSEFructoseME297374---99.96
GLUTAMINE (3TMS)GlutamineME297368---99.96
GLYCINEGlycineME297317---99.96
CREATININECreatinineME297347---99.97
THREONINEThreonineME297335---99.98
ADIPIC ACIDAdipic acidME297344----
CYSTATHIONINECystathionineME297389----
GAMMA-TOCOPHEROLgamma-TocopherolME297403----
GLUTARIC ACIDGlutaric acidME297336----
GLYCERIC ACIDGlyceric acidME297330----
LIDOCAINELidocaineME297366----
NAPROXENNaproxenME297385----
OCTADECADIENOIC ACID, 9,12-(Z,Z)-ME297391----
PIPECOLIC ACIDPipecolic acidME297334----
PYRUVIC ACIDPyruvic acidME297313----
RIBOSERiboseME297362----


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