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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
AAArachidonic acidME799653----
CACholic acidME799655----
AconAcidcis-Aconitic acidME799654----
CystineCystineME799656----
DHEASDehydroepiandrosterone sulfateME799658----
DHADHAME799657----
FA(20:2)Eicosadienoic acidME799662----
FA(20:3)Eicosatrienoic acidME799663----
FA(20:1)Eicosenoic acidME799661----
GCDCAGlycochenodeoxycholic acidME799665----
GCAGlycocholic acidME799664----
GUDCAGlycoursodeoxycholic acidME799667----
Ind-SO4Indoxyl sulfateME799668----
LacLactic acidME799669----
FA(18:2)Octadecadienoic acidME799660----
FA(18:1)Octadecenoic acidME799659----
p-Cresol-SO4p-Cresol sulfateME799670----
GLCASSulfoglycolithocholic acidME799666----
TCDCATaurochenodeoxycholic acidME799672----
TCATaurocholic acidME799671----
TDCATaurodeoxycholic acidME799673----


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
1-Met-His1-MethylhistidineME799695----
AABA2-Aminobutyric acidME799697----
3-IPA3-Indolepropionic acidME799721----
3-Met-His3-MethylhistidineME799696----
AlaAlanineME799675----
alpha-AAAalpha-Aminoadipic acidME799699----
ArgArginineME799676----
AsnAsparagineME799677----
AspAspartic acidME799678----
beta-Alabeta-AlanineME799714----
BetaineBetaineME799700----
CholineCholineME799724----
CitCitric acidME799701----
CortisolCortisolME799719----
CreatinineCreatinineME799702----
CysCysteineME799679----
ADMADimethylarginineME799698----
GABAgamma-Aminobutyric acidME799715----
GluGlutamic acidME799681----
GlnGlutamineME799680----
GlyGlycineME799682----
HipAcidHippuric acidME799718----
HisHistidineME799683----
HArgHomoarginineME799703----
HCysHomocysteineME799704----
HypoxanthineHypoxanthineME799722----
3-IAAIndoleacetic acidME799720----
IleIsoleucineME799684----
KynurenineKynurenineME799705----
TrpBetaineLenticinME799713----
LeuLeucineME799685----
LysLysineME799686----
MetMethionineME799687----
Met-SOMethionine sulfoxideME799706----
OrnOrnithineME799707----
PhePhenylalanineME799688----
ProProlineME799689----
ProBetaineProline betaineME799708----
PutrescinePutrescineME799716----
SarcosineSarcosineME799709----
SerSerineME799690----
SerotoninSerotoninME799717----
SDMASymmetric dimethylarginineME799710----
TaurineTaurineME799712----
ThrThreonineME799691----
t4-OH-Protrans-4-HydroxyprolineME799711----
TMAOTrimethylamine N-oxideME799674----
TrpTryptophanME799692----
TyrTyrosineME799693----
ValValineME799694----
XanthineXanthineME799723----


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