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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-Aminocyclopropanecarboxylic acid1-Aminocyclopropanecarboxylic acidME263933----
5-Aminolevulinic acid5-Amino-levulinic acidME263943----
Aminoadipic acidAminoadipic acidME263954----
AnserineAnserineME263969----
ArabitolArabitolME263952----
BenzylamineBenzylamineME263935----
Cholic acidCholic acidME263974----
CreatineCreatineME263944----
CreatinineCreatinineME263937----
CystathionineCystathionineME263967----
CystineCystineME263968----
DethiobiotinDethiobiotinME263966----
DodecanoylcarnitineCAR 12:0ME263972----
ErgocalciferolVitamin D2ME263973----
GlucosamineGlucosamineME263960----
Glutamic acidGlutamic acidME263950----
GlutamineGlutamineME263948----
HistidineHistidineME263953----
HypotaurineHypotaurineME263936----
Imidazoleacetic acidImidazoleacetic acidME263942----
IndoleIndoleME263939----
Indoleacetic acidIndoleacetic acidME263959----
Kynurenic acidKynurenic acidME263962----
KynurenineKynurenineME263964----
LysineLysineME263949----
Malic acidMalic acidME263946----
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME263958----
NicotineNicotineME263955----
OrnithineOrnithineME263945----
PhenylethylaminePhenylethylamineME263940----
Phenylpyruvic acidPhenylpyruvic acidME263956----
PhosphocreatinePhosphocreatineME263965----
ProlineProlineME263938----
SerineSerineME263934----
SphinganineSphinganineME263971----
TaurineTaurineME263941----
TryptophanTryptophanME263963----
TyrosineTyrosineME263961----
Uric acidUric acidME263957----
UridineUridineME263970----
Urocanic acidUrocanic acidME263947----
XanthineXanthineME263951----


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
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME264004----
3-Phosphoglyceric acid3-Phosphoglyceric acidME264017----
3-Sulfinoalanine3-Sulfino-alanineME263998----
5-Hydroxymethyluracil5-HydroxymethyluracilME263988----
6-Phosphogluconic acid6-Phosphogluconic acidME264032----
AcetylcysteineN-AcetylcysteineME264005----
AdenineAdenineME263986----
AdenosineAdenosineME264031----
Adenosine 35-diphosphate-ME264036----
Adenosine diphosphate riboseADP-riboseME264040----
ADP-glucoseADP-glucoseME264042----
All-trans-retinoic acidRetinoic acidME264034----
Aminoadipic acidAminoadipic acidME264003----
Aspartic acidAspartic acidME263985----
Caffeic acidCaffeic acidME264014----
Citramalic acidCitramalic acidME263992----
CitrullineCitrullineME264012----
CreatinineCreatinineME263982----
Cytidine triphosphateCTPME264039----
DethiobiotinDethiobiotinME264026----
Diaminopimelic acidDiaminopimelic acidME264021----
DL-O-PhosphoserineDL-O-PhosphoserineME264016----
DopamineDopamineME263999----
FADFADME264045----
Gamma-Linolenic acidgamma-Linolenic acidME264033----
Gluconic acidGluconic acidME264023----
GlutamineGlutamineME263990----
Glyceric acidGlyceric acidME263979----
Glycocholic acidGlycocholic acidME264038----
GuanineGuanineME263996----
Guanosine diphosphateGDPME264037----
Guanosine diphosphate mannoseGDP-mannoseME264043----
Guanosine monophosphateGMPME264035----
HistidineHistidineME264000----
Hydroxypyruvic acidHydroxypyruvic acidME263977----
HypoxanthineHypoxanthineME263987----
Imidazoleacetic acidImidazoleacetic acidME263983----
IndoleacetaldehydeIndoleacetaldehydeME264001----
Kynurenic acidKynurenic acidME264019----
LysineLysineME263991----
MethionineMethionineME263995----
Mevalonic acidMevalonic acidME263994----
Myristic acidMyristic acidME264028----
N-AcetylasparagineN-AcetylasparagineME264010----
N-Acetylglutamic acidN-Acetylglutamic acidME264020----
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME264011----
N-Alpha-acetyllysineN(2)-AcetyllysineME264018----
N-Formyl-L-methionineN-FormylmethionineME264013----
Oxalic acidOxalic acidME263976----
Oxoadipic acidOxoadipic acidME264002----
Oxoglutaric acid2-Oxoglutaric acidME263989----
Palmitoleic acidPalmitoleic acidME264030----
Pantothenic acidPantothenic acidME264027----
PhenylalaninePhenylalanineME264006----
PhosphocreatinePhosphocreatineME264025----
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME263980----
Pyruvic acidPyruvic acidME263975----
Quinic acidQuinic acidME264022----
SerineSerineME263978----
Shikimic acidShikimic acidME264009----
StachyoseStachyoseME264044----
trans-Aconitic acidtrans-Aconitic acidME264008----
trans-Cinnamic acidtrans-Cinnamic acidME263993----
TyrosineTyrosineME264015----
UracilUracilME263981----
Ureidopropionic acidUreidopropionic acidME263984----
Uric acidUric acidME264007----
UridineUridineME264029----
Uridine diphosphate glucoseUDP-glucoseME264041----
Vanillylmandelic acidVanillylmandelic acidME264024----
XanthineXanthineME263997----


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