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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Aminoimidazole-ME510936--1.1184.06
5-aminosalicylic acid-ME510948--0.95154.15
6-Aminocaproic acid6-Aminocaproic acidME510929--0.96132.11
AcetylcarnitineCAR 2:0ME510951--1.11204.21
AcetylcholineAcetylcholineME510937--0.97147.13
Adenosine 5'-monophosphateAMPME510952--1.11348.07
AlanineAlanineME510959--0.8890.1
Aminoadipic acidAminoadipic acidME510965--0.98162.08
BetaineBetaineME510940--0.91118.16
Beta-SitosterolSitosterolME510930--13.03415.72
CholineCholineME510953--0.88105.1
CreatineCreatineME510954--0.95132.08
CreatinineCreatinineME510947--0.93114.07
CytosineCytosineME510958--0.73112.05
Dehydrocholic acidDehydrocholic acidME510963--11.94403.25
Glycodeoxycholic acidGlycodeoxycholic acidME510934--12.13450.32
Guanidineacetic acidGuanidoacetic acidME510918--1.11118.12
HexanoylcarnitineCAR 6:0ME510949--8.58260.1
Hippuric acidHippuric acidME510928--6.91180.16
HistamineHistamineME510942--0.73112.09
HypoxanthineHypoxanthineME510955--1.11137
Indole-3-acetic acidIndoleacetic acidME510941--9.9176.1
Indole-3-propionic acid3-Indolepropionic acidME510932--11.25190.22
InosineInosineME510957--3.14269.09
IsoleucineIsoleucineME510914--2.54132.18
L-ArginineArginineME510943--0.86175.21
L-Carnitine hydrochloride-ME510946--0.91162.1
L-CitrullineCitrullineME510938--0.9176.2
L-Cysteic acidCysteic acidME510919--0.87170.17
L-GlutamateGlutamic acidME510926--0.89148.06
L-GlutamineGlutamineME510969--0.88147.08
L-HistidineHistidineME510921--1.11156.16
L-HomocysteineHomocysteineME510939--1.06136.05
L-HomoserineHomoserineME510935--0.89120.07
L-KynurenineKynurenineME510916--4.28209.22
L-LeucineLeucineME510923--2.54132.18
L-LysineLysineME510944--0.87147.2
L-MethionineMethionineME510922--1.12150.22
L-OrnithineOrnithineME510970--0.76133.1
L-PhenylalaninePhenylalanineME510925--4.5166.2
L-ProlineProlineME510920--0.96116.14
L-ThreonineThreonineME510924--0.89120.13
L-ValineValineME510927--1.1118.09
NormetanephrineNormetanephrineME510915--1.12184.1
NorvalineNorvalineME510966--1.1118.09
Palmitoyl-l-carnitineCAR 16:0ME510950--13.2400.34
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME510962--0.87168.99
Pipecolic acidPipecolic acidME510968--1.11130.09
PutrescinePutrescineME510945--0.7389.08
Pyroglutamic acidPyroglutamic acidME510967--1.11130.05
SarcosineSarcosineME510933--0.8890.06
SpermidineSpermidineME510956--0.73146.17
Stearic acidStearic acidME510964--13.91285.28
Trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME510931--1.12132.14
Trimethylamine N-oxideTrimethylamine N-oxideME510917--0.9276.15
TryptophanTryptophanME510961--5.89205.1
UracilUracilME510960--1.13113.1


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Azelaic acidAzelaic acidME510978--9.66187.1
CitrateCitric acidME510971--1.11191.11
D-FructoseFructoseME510980--1.12179.05
Docosahexaenoic acidDocosahexaenoic acidME510982--14.87327.23
GlucoseGlucoseME510981--1.12179.05
Glycochenodeoxycholic acidGlycochenodeoxycholic acidME510975--12.64448.3
Glycocholic acidGlycocholic acidME510973--12.1464.3
Isocitric acidIsocitric acidME510979--1.11191.02
L-LactateLactic acidME510976--1.1289.02
Oxalic acidOxalic acidME510977--1.1289
Phenyllactic acidPhenyllactic acidME510983--8.39165.05
Taurochenodeoxycholic acidTaurochenodeoxycholic acidME510972--12.19498.29
Taurodeoxycholic acidTaurodeoxycholic acidME510974--12.19498.29


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