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Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
3-Hydroxybenzoic acid3-Hydroxybenzoic acidME444919--6.26137.02
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME444920--6.25137.02
Azelaic acidAzelaic acidME444921--9.56187.1
Cis-Aconitic acidcis-Aconitic acidME444927--1.7173
Citramalic acidCitramalic acidME444935--2.01147.03
CitrateCitric acidME444916--1.54191.11
Flavin adenine dinucleotideFADME444929--6.41784.15
FumarateFumaric acidME444930--1.78115
D-Glucose 6-phosphateGlucose 6-phosphateME444928--1.03259.02
Glutaric acidGlutaric acidME444936--3.45131.03
Isocitric acidIsocitric acidME444917--1.52191.02
Lithocholic acidLithocholic acidME444923--15.21375.3
Maleic acidMaleic acidME444922--1.77115
Malic acidMalic acidME444931--1.11133.01
Methylmalonic acidMethylmalonic acidME444918--1.88117.02
N-Acetylglutamic acidN-Acetylglutamic acidME444925--1.7188.05
Phenyllactic acidPhenyllactic acidME444934--8.29165.05
Sebacic acidSebacic acidME444924--10.89201.1
Beta-Glycerophosphatesn-Glycero-2-phosphateME444926--1.05171
Succinic acidSuccinic acidME444932--1.88117.02
p-Hydroxyphenylpropionic acid-ME444933--6.8165.05


Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Pyrogallol1,2,3-TrihydroxybenzeneME445004--2.51127.04
2,4-Diaminobutyric acid2,4-Diaminobutyric acidME444937--1.87119.11
Dephospho-CoA3'-Dephospho-CoAME444990--5.12688.2
3-Guanidinopropionic acid?3-Guanidinopropanoic acidME444982--1.07132.14
5-Dodecenoic acid5-Dodecenoic acidME445008--13.63199.17
AcetylcholineAcetylcholineME444939--1.37147.13
AdenineAdenineME445003--1.19136.1
AdenosineAdenosineME444967--2.28268.25
Adenylosuccinic acidAdenylsuccinic acidME444981--3.93464.08
AgmatineAgmatineME444998--1.1131.1
AlanineAlanineME445000--0.9690.1
Aminoadipic acidAminoadipic acidME445011--1.01162.08
AMPAMPME444983--1.29348.07
BetaineBetaineME444972--0.97118.16
BiotinBiotinME444966--7.29245.32
Decanoic acidCapric acidME445009--0.59173.16
Caproic acidCaproic acidME445007--1.15117.09
L-Carnitine hydrochlorideCarnitineME444979--0.99162.1
CholesterolCholesterolME444956--12.62387.3
CholineCholineME444991--1.43105.1
L-CitrullineCitrullineME444941--1.41176.2
CMPCMPME444965--1.07324.21
CreatineCreatineME444992--0.58132.08
CytidineCytidineME444970--1.2244.23
CytosineCytosineME444997--1.19112.05
2'-Deoxycytidine 5'-monophosphatedCMPME444987--1.18308.07
Dehydrocholic acidDehydrocholic acidME445006--12403.25
2-DeoxyadenosineDeoxyadenosineME444964--2.57252.1
2'-Deoxyguanosine 5'-monophosphatedGMPME444986--1.6348.07
DopamineDopamineME444960--1.6154.15
Gamma-Aminobutyric acidgamma-Aminobutyric acidME444947--0.96104.13
L-GlutamateGlutamic acidME444953--0.96148.06
L-GlutamineGlutamineME445015--1.49147.08
Reduced glutathioneGlutathioneME444963--1.42308.09
Guanosine 5'-monophosphateGMPME444999--1.34364.07
Guanidineacetic acidGuanidoacetic acidME444945--1.29118.12
HistamineHistamineME444974--1.19112.09
hisHistidineME444954--2.31134.11
L-HistidineHistidineME444949--1.3156.16
L-HomocysteineHomocysteineME444968--1.06136.05
HypoxanthineHypoxanthineME444993--1.53137
IMPIMPME444969--1.28349.06
InosineInosineME444996--2.91269.09
IsoleucineIsoleucineME444938--2.24132.18
Isonicotinic acidIsonicotinic acidME444961--1.37124.12
L-LeucineLeucineME444951--2.24132.18
L-LysineLysineME444976--1.48147.2
L-MethionineMethionineME444950--1.42150.22
N-Acetyl-L-cysteineN-AcetylcysteineME444962--3.01164.2
N-AcetylglutamineN-AcetylglutamineME444971--1.78189.19
N-Acetyl-L-methionineN-AcetylmethionineME444944--5.96192.26
Nicotinic acidNicotinic acidME444943--1.37124.12
L-NorleucineNorleucineME444940--2.25132.1
NormetanephrineNormetanephrineME444942--0.98184.1
NorvalineNorvalineME445012--1.26118.09
L-OrnithineOrnithineME445016--2.02133.1
Oxidized glutathioneOxidized glutathioneME444985--1.66613.2
L-PhenylalaninePhenylalanineME444952--4.24166.2
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME445005--1.08168.99
Pipecolic acidPipecolic acidME445014--1.69130.09
PLPPro-Leu-ProME444973--1.52248.15
L-ProlineProlineME444948--0.99116.14
PutrescinePutrescineME444978--0.6889.08
PyridoxalPyridoxalME444946--1.33168.13
Pyroglutamic acidPyroglutamic acidME445013--1.72130.05
S-(5'-Adenosyl)-L-homocysteineS-AdenosylhomocysteineME444989--1.65385.1
SarcosineSarcosineME444959--0.9690.06
Beta-SitosterolSitosterolME444957--12.98415.72
SpermidineSpermidineME444994--0.67146.17
SphinganineSphinganineME444984--12.47302.52
Stearic acidStearic acidME445010--12.81285.28
ThiamineThiamineME444995--1.52266.12
ThymineThymineME444977--2.51127.12
Trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME444958--2.26132.14
TryptamineTryptamineME444975--6.09161.23
TryptophanTryptophanME445002--5.68205.1
Uridine 5'-monophosphateUMPME444988--1.1325.05
UracilUracilME445001--1.34113.1
L-ValineValineME444955--1.28118.09
5-aminosalicylic acid-ME444980--1.61154.15


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