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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
1,6-AnhydroglucoseGlucosanME457410--10.862204.1773
1-HexadecanolCetyl alcoholME457411--12.505299.3
2-Aminobutyric acid2-Aminobutyric acidME457412--6.05130.1689
2-DeoxyadenosineDeoxyadenosineME457413--16.451192.15
2-DeoxyguanosineDeoxyguanosineME457414--17.237280.2
2-Deoxyribose 5-phosphateDeoxyribose 5-phosphateME457415--13.123299.2
2-Hydroxypyridine (also found in blank)-ME457416--4.55152.1284
3-Hydroxy butyrate3-Hydroxybutyric acidME457417--5.958147.1573
3-Phenyllactic acidPhenyllactic acidME457418--9.88193.1814
3-Phosphoglyceric acid3-Phosphoglyceric acidME457419--11.607299.2
4-Aminobutyric acid4-Aminopentanoic acidME457420--9.42174.2
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME457421--10.207267.25
5-Methylthioadenosine5'-MethylthioadenosineME457422--17.321236.1807
Aconitatetrans-Aconitic acidME457423--11.083229.25
AdenineAdenineME457424--11.989264.2023
AdenosineAdenosineME457425--16.548236.1994
a-Ketoglutaric acid2-Oxoglutaric acidME457426--9.768129.1468
Alanine_2TMSAlanineME457427--5.293116.15
Alanine_3TMSAlanineME457428--7.955188.2115
Alanylalanine_1Ala-AlaME457429--10.008116.15
Alanylalanine_3Ala-AlaME457430--11.908188.2072
Arabinose-5-phosphate_2Arabinose 5-phosphateME457431--13.687315.2364
Asparagine_3TMSAsparagineME457432--10.548116.1486
Asparagine_4TMSAsparagineME457433--12.032188.196
Aspartic acid_3TMSAspartic acidME457434--9.338232.2039
b-Lactose_1_major-ME457435--17.011204.2
b-Lactose_2_minor-ME457436--17.094204.1957
CaffeineCaffeineME457437--11.886194.1575
Citramalic acidCitramalic acidME457438--8.963247.2188
Citric acidCitric acidME457439--11.684273.2048
CitrullineCitrullineME457440--11.671147.1591
Cysteine_3TMSCysteineME457442--9.641220.2
Cysteine sulfinic acid3-Sulfino-alanineME457441--10.631115.1449
Cytidine_2CytidineME457443--16.837217.2014
CytosineCytosineME457444--9.364254.2214
Decanoic acid(10_0)-ME457445--8.723229.2333
DihydroxyacetoneDihydroxyacetoneME457448--6.875147.1515
Dihydroxy acetone phosphate-1-ME457446--11.134299.1947
Dihydroxy acetone phosphate-2Dihydroxyacetone phosphateME457447--11.222299.1975
Elaidic acid(18_1n-9)-ME457449--14.152129.1063
Erythrose_1ErythroseME457450--8.685205.2097
Erythrose_2ErythroseME457451--8.814147.1534
Fructose_1FructoseME457454--12.127103.1833
Fructose_2FructoseME457455--12.196217.2188
Fructose 6-phosphate_2Fructose 6-phosphateME457452--14.911315.2265
Fructose 6-phosphate_3Fructose 6-phosphateME457453--14.989387.3014
Fumaric acidFumaric acidME457456--7.734245.1712
Galactosamine_1_major-ME457457--12.583159.1975
Galactosamine_2_minor-ME457458--12.641147.1568
Galactose_1GalactoseME457459--12.271160.1682
Galactose_2+Glucose_2GalactoseME457460--12.456147.1519
Gluconic acidGluconic acidME457461--13.038333.268
Glucono-1,5-lactone_1GluconolactoneME457462--12.194204.1967
Glucose_1GlucoseME457463--12.322147.15
Glutamic acid_3TMSGlutamic acidME457464--10.134246.2536
Glutamine_3TMSGlutamineME457465--11.303156.1731
Glyceraldehyde_1_minor-ME457466--6.411103.13
Glyceraldehyde_2_major-ME457467--6.549147.1542
Glyceric acidGlyceric acidME457468--7.658147.1545
Glycerol-2-phosphate+glycerol 3-phosphate-ME457469--11.015243.15
Glycine_3TMSGlycineME457470--7.43174.2
Glycolic acidGlycolic acidME457471--4.98147.15
GuanineGuanineME457472--13.681352.2742
GuanosineGuanosineME457473--17.234324.2682
Histidine_3TMSHistidineME457474--12.374154.1846
HomocysteineHomocysteineME457475--10.497128.1708
HomoserineHomoserineME457476--8.736218.2351
HypoxanthineHypoxanthineME457477--11.542265.1993
Icosanoic acid(20_0)-ME457478--15.378117.1086
InosineInosineME457479--16.23217.2
InositolInositolME457480--13.58305.25
Isocitric acidIsocitric acidME457481--11.713217.206
Isoleucine_1TMS_minorIsoleucineME457482--6.07886.15
Isoleucine_2TMS_majorIsoleucineME457483--7.294158.2055
Ketoisoleucine_13-Methyl-2-oxovaleric acidME457484--6.12189.09746
Ketovaline_2Ketoisovaleric acidME457485--5.64889.05
Lactic acid (also found in blank)-ME457486--4.829147.1541
Lauric acidLauric acidME457487--10.317117.0977
Leucine_1TMSLeucineME457488--5.8586.15182
Leucine_2TMSLeucineME457489--7.075158.2048
Lysine_4TMSLysineME457490--12.365156.2
Malic acidMalic acidME457491--9.066233.2083
Malonic acidMalonic acidME457492--6.347147.1545
Maltose_1_major-ME457493--17.271204.2
Maltose_2_minor-ME457494--17.407361.3092
MaltotetraoseMaltotetraoseME457495--21.776204.1844
MaltotrioseMaltotrioseME457496--22.3271.2357
MannitolMannitolME457497--12.56128.1536
Mannose_1_major-ME457498--12.242147.15
Melibiose_1_major-ME457499--17.844204.1684
Methionine_2TMSMethionineME457501--9.327176.1962
Methionine sulfoxide_3Methionine sulfoxideME457500--11.935128.1579
Myristic acidMyristic acidME457502--11.755285.304
N-a-Acetyl ornithine_2_major-ME457503--12.87174.2
N-Acetyl aspartic acid_1_minor-ME457504--10.41158.1808
N-Acetyl glutamateN-Acetylglutamic acidME457505--11.341158.175
N-Acetylputrescine_3TMS_2018N-AcetylputrescineME457506--10.947217.2
NicotinamideNiacinamideME457507--8.955179.1506
Nicotinic acidNicotinic acidME457508--7.265180.1354
Nonanoic acid(9_0)-ME457509--7.857215.2467
o-Acetyl serineO-AcetylserineME457510--8.232116.1533
Oleic acid(18_1n-9)-ME457511--14.13117.1333
Ornithine_3TMSOrnithineME457512--11.161174.1962
Ornithine_4TMSOrnithineME457513--11.663142.2
Orotic acidOrotic acidME457514--11.08254.19
Oxaloacetic acid+PyruvateOxaloacetic acidME457515--4.688174.1452
Palmitic acid(16_0) (also found in blank)-ME457516--13.066117.1
Palmitoleic acid(C16_1n7)-ME457517--12.95311.3667
PantothenatePantothenic acidME457518--12.857103.1333
Pentadecanoic acid(15_0)Pentadecylic acidME457519--12.419299.25
Phenylalanine_1TMSPhenylalanineME457520--9.55120.15
Phenylalanine_2TMSPhenylalanineME457521--10.221218.2
PhosphatePhosphoric acidME457522--7.107299.2248
PrephenatePrephenic acidME457523--9.88291.115
Proline_2TMSProlineME457524--7.333142.2
Psicose_1_minor-ME457525--12.008156.1654
Putrescine_3TMS_2018PutrescineME457526--9.25174.2
Putrescine_4TMS_2018PutrescineME457527--11.088174.2
Pyroglutamic acid_2TMS(5-Oxoproline)Pyroglutamic acidME457528--9.357156.1539
Quinic acidQuinic acidME457529--12.028345.3375
RaffinoseRaffinoseME457530--20.754361.3095
RiboseRiboseME457531--10.684103.1457
Ribulose 5-phosphate_1Ribulose 5-phosphateME457532--13.652357.2449
Ribulose 5-phosphate_2+Xylulose 5-phosphate_2-ME457533--13.757357.2528
Serine_2TMS_minorSerineME457534--6.922116.1295
Serine_3TMS_majorSerineME457535--7.936204.2038
SorbitolSorbitolME457536--12.596149.0908
Sorbitol 6-phosphatePseudouridineME457537--15.267387.3011
Stearic acid(18_0) (also found in blank)-ME457538--14.27117.0995
Succinic acid(or anhydride)-ME457539--7.488147.15
SucroseSucroseME457540--16.727361.3068
Tagatose_1_minor-ME457541--11.984103.1469
Tagatose_2_major-ME457542--12.123217.2195
Threonine_2TMS_minorThreonineME457543--7.321147.15
Threonine_3TMS_majorThreonineME457544--8.193218.2324
Thymidine_3ThymidineME457545--15.733103.1273
ThymineThymineME457546--8.302255.201
TrehaloseTrehaloseME457547--17.268361.3064
Tryptophan_1TMSTryptophanME457548--13.931130.15
Tryptophan_2TMSTryptophanME457549--14.108218.2028
Tryptophan_3TMSTryptophanME457550--14.293202.2
Turanose_1TuranoseME457551--17.312144.1333
TyrosineTyrosineME457552--12.487218.2013
UracilUracilME457553--7.714241.19
UreaUreaME457554--6.677147.1652
Uridine_4TMSUridineME457557--15.577217.2
Uridine 5'-diphosphate_1UDPME457555--17.64169.1427
Uridine 5'-diphosphate_2UDPME457556--17.783169.1428
Valine_1TMS_minorValineME457558--5.113156.1714
Valine_2TMSValineME457559--6.513144.2
XanthineXanthineME457560--13.022353.2625
XanthosineXanthosineME457561--16.782325.2482
XylitolXylitolME457562--10.903103.15


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