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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1-AMINOCYCLOPROPANECARBOXYLATE1-Aminocyclopropanecarboxylic acidME563122----
1-METHYL-L-HISTIDINE1-MethylhistidineME563143----
2-DEOXY-D-GLUCOSE2-Deoxy-glucoseME563097----
3-(3,4-dihydroxyphenyl)propanoic acid (misannotate...-ME563102----
3-METHYL-L-HISTIDINE3-MethylhistidineME563145----
5'-DEOXYADENOSINE5'-DeoxyadenosineME563045----
AcCa(2-0)-ME563075----
ACETYLCHOLINEAcetylcholineME563089----
Acetyl-L-carnitine (misannotated as [2M+ACN+H])_4....-ME563074----
ADENINEAdenineME563090----
ADENOSINE (logical inference by abundance)-ME563078----
ADENOSINE MONOPHOSPHATEAMPME563134----
ALLANTOINAllantoinME563091----
AMINOADIPATEAminoadipic acidME563115----
AMINOISOBUTANOATE3-Aminoisobutanoic acidME563113----
AMINOISOBUTYRATEAminoisobutyric acidME563109----
ARABITOL or XYLITOL-ME563087----
ARGININEArginineME563146----
ASPARAGINEAsparagineME563132----
ASPARTATEAspartic acidME563127----
ASYMMETRIC or SYMMETRIC DIMETHYLARGININE-ME563140----
BETAINE or 5-AMINOPENTANOATE-ME563111----
BIOTIN_peak1BiotinME563032----
CARNOSINECarnosineME563150----
CDP-ETHANOLAMINECDP-EthanolamineME563142----
CHOLINECholineME563105----
CIS-TRANS-4-HYDROXY-D-L-PROLINE (peak 1)-ME563119----
CIS-TRANS-4-HYDROXY-D-L-PROLINE (peak 2)-ME563123----
CITICOLINECytidine 5'-diphosphocholineME563152----
CITRULLINECitrullineME563133----
CREATINECreatineME563107----
CREATININECreatinineME563104----
CYSTATHIONINECystathionineME563141----
CYSTEINECysteineME563114----
CYSTINECystineME563138----
GLUTAMATEGlutamic acidME563121----
GLUTAMINEGlutamineME563129----
GLUTATHIONE DISULFIDE (GSSG)Oxidized glutathioneME563136----
GLUTATHIONE REDUCEDGlutathioneME563116----
GLYCINEGlycineME563128----
GUANINE but RT is a little off-ME563092----
GUANOSINEGuanosineME563093----
HEXITOLSorbitolME563096----
HIPPURATEHippuric acidME563029----
HISTIDINEHistidineME563144----
HOMOCYSTEINEHomocysteineME563103----
INOSINEInosineME563076----
ISOLEUCINEIsoleucineME563085----
KYNURENINEKynurenineME563084----
L-ALANINEAlanineME563118----
L-CARNITINE_6.587CarnitineME563098----
LEUCINELeucineME563082----
L-ORNITHINEOrnithineME563149----
LPC(18-0)LPC 18:0ME563086----
LYSINELysineME563148----
METHIONINEMethionineME563094----
METHIONINE SULFOXIDEMethionine sulfoxideME563130----
N-ACETYLALANINE_peak1N-AcetylalanineME563030----
N-ACETYLASPARTATEN-Acetylaspartic acidME563035----
N-ACETYLHEXOSAMINE (peak 1)-ME563083----
N-ACETYL-L-ORNITHINEN-AcetylornithineME563120----
N-ACETYLSERINEN-AcetylserineME563036----
NICOTINAMIDENiacinamideME563034----
NICOTINAMIDE ADENINE DINUCLEOTIDE OXIDIZEDNAD+ME563137----
N-METYL-ALANINE-ME563106----
N,N,N-TRIMETHYLLYSINEN-6-TrimethyllysineME563151----
OPHTHALMATEOphthalmic acidME563112----
PANTOTHENATE_peak1Pantothenic acidME563031----
PC(30-0)PC 30:0ME563071----
PC(32-0)PC 32:0ME563069----
PC(32-1)PC 32:1ME563064----
PC(33-1)PC 33:1ME563063----
PC(34-1)PC 34:1ME563061----
PC(34-2)PC 34:2ME563058----
PC(36-2)PC 36:2ME563055----
PC(36-3)PC 36:3ME563049----
PC(36-4)PC 36:4ME563052----
PC(38-6)PC 38:6ME563042----
PC_718.53369_4.801-ME563070----
PC_733.55272_4.743-ME563059----
PC_758.56518_4.746-ME563060----
PC_775.57292_4.752-ME563062----
PC_782.56559_4.699-ME563054----
PC_787.60187_4.715-ME563056----
PC_808.58105_4.645-ME563041----
PC_809.59409_4.639-ME563039----
PC(O-32-1)PC O-32:1ME563067----
PC(O-34-1)PC O-34:1ME563065----
PC(O-38-5)PC O-38:5ME563044----
PHENYLALANINEPhenylalanineME563081----
PHOSPHOCREATINEPhosphocreatineME563126----
PHOSPHORYLCHOLINECholine phosphateME563139----
PIPECOLATEPipecolic acidME563100----
PORPHOBILINOGENPorphobilinogenME563108----
PROLINEProlineME563110----
PUTRESCINEPutrescineME563154----
PYROGLUTAMATE or OXOPROLINE-ME563033----
S-ADENOSYLHOMOCYSTEINES-AdenosylhomocysteineME563135----
S-ADENOSYLMETHIONINES-AdenosylmethionineME563153----
SARCOSINESarcosineME563117----
SERINESerineME563131----
SEROTONINSerotoninME563099----
SM(d34-1)-ME563080----
TAURINETaurineME563124----
Thiamine_12.248ThiamineME563147----
THREONINE or HOMOSERINE or ALLOTHREONINE-ME563125----
TRYPTOPHANTryptophanME563088----
TYROSINETyrosineME563101----
VALINE or NORVALINE-ME563095----
XANTHINEXanthineME563037----
XANTHOSINEXanthosineME563077----


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