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Analysis: Normal phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Hydroxybutyric acid2-Hydroxybutyric acidME449052129763027---
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME44904543C02630--
Oxoglutaric acid2-Oxoglutaric acidME449053164533C00026--
3'-CMP3'-CMPME44905666535C00475--
3-Hydroxybutyric acid3-Hydroxybutyric acidME4490543541112---
4-Pyridoxic acid4-Pyridoxic acidME4490466723C00847--
AdenineAdenineME449047190C00147--
Adipic acidAdipic acidME449050200164---
ADPADPME4490486022C00008--
alpha-Aminoadipic acidalpha-Aminoadipic acidME4490446992111---
AMPAMPME4490496083C00020--
Citric acidCitric acidME44905531348C00158--
Dihydroxyacetone phosphateDihydroxyacetone phosphateME449057668C00184--
Glycocholic acidGlycocholic acidME44906010140C01921--
Hippuric acidHippuric acidME449063516953C01586--
HypoxanthineHypoxanthineME449064790C00262--
IMPIMPME4490698582C00130--
Indoleacetic acidIndoleacetic acidME449066802C00954--
Indoxyl sulfateIndoxyl sulfateME44906710258---
InosineInosineME449068135398641C00294--
KynurenineKynurenineME449071846C01718--
Lactic acidLactic acidME44907291435C01432--
Malic acidMalic acidME449073160434C00711--
Myo-inositolMyo-inositolME449070892---
O-PhosphotyrosineO-PhosphotyrosineME44907630819C06501--
Pantothenic acidPantothenic acidME449074167945C00864--
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME4490751005---
Pyruvic acidPyruvic acidME449077107735---
sn-Glycero-3-phosphatesn-Glycero-3-phosphateME44905123672316C03189--
SorbitolSorbitolME4490785780C00794--
Taurocholic acidTaurocholic acidME44907923666345---
UMPUMPME4490836030C00105--
Uric acidUric acidME4490811175C00366--
UridineUridineME4490826029C00299--
XanthineXanthineME4490841188C00385--
indole_3_propionate-ME4490653292996---
SUM_fructose_glucose_galactose-ME449058----
SUM_fumarate_maleate-ME449059----
SUM_glycodeoxycholate_glycochenodeoxycholate-ME449061----
SUM_hexose_diphosphates-ME449062----
SUM_Taurodeoxycholic acid/Taurochenodeoxycholic ac...-ME449080----


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
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME44908586C00632--
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME4490861826C05635--
AcetylcholineAcetylcholineME449087187C01996--
AlanineAlanineME4490885950C00041--
AllantoinAllantoinME449089204C01551--
ArginineArginineME44909128782C00062--
N-monomethyl-L-arginineArginineME44912028782C00062--
AsparagineAsparagineME4490926267C00152--
Aspartic acidAspartic acidME4490935960C00049--
BetaineBetaineME449094247C00719--
CAR 10:0CAR 10:0ME44914611953821---
CAR 10:1CAR 10:1ME44914571464497---
CAR 12:0CAR 12:0ME449148168381---
CAR 12:1CAR 12:1ME449147168381---
CAR 14:0CAR 14:0ME44915053477791---
CAR 14:1CAR 14:1ME44914922833575---
CAR 16:0CAR 16:0ME44915211953816---
CAR 16:1CAR 16:1ME44915171464547---
CAR 16:1;OHCAR 16:1;OHME44915371464549---
CAR 18:1CAR 18:1ME4491556441392---
CAR 18:2CAR 18:2ME44915451000598---
CAR 2:0CAR 2:0ME44913618230---
CAR 3:0CAR 3:0ME449137188824---
CAR 4:0CAR 4:0ME449138168379---
CAR 6:0;OHCAR 6:0;OHME44914053481624---
CAR 8:0CAR 8:0ME44914370679121---
CAR 8:1CAR 8:1ME44914270679121---
CAR DC3:0CAR DC3:0ME44913922833583---
CAR DC5:0CAR DC5:0ME4491413036008---
CAR DC5:0;3MeCAR DC5:0;3MeME449144128145---
CarnitineCarnitineME44909510917C00318--
CholineCholineME449096305C00114--
CitrullineCitrullineME4490986992098C00327--
CreatineCreatineME449099586C00300--
CreatinineCreatinineME449100588C00791--
CytidineCytidineME4491016175C00475--
Asymmetric-dimethyl-L-arginineDimethylarginineME449103123831---
DimethylglycineDimethylglycineME449102673C01026--
GlucosamineGlucosamineME449104441477C08349--
Glutamic acidGlutamic acidME44910633032C00025--
GlutamineGlutamineME4491075961C00064--
GlycineGlycineME4491085257127C00037--
HistidineHistidineME4491096274C00135--
HypoxanthineHypoxanthineME449110790C00262--
IMPIMPME4491118582C00130--
InosineInosineME449112135398641C00294--
IsoleucineIsoleucineME4491136306C00407--
Kynurenic acidKynurenic acidME4491143845C01717--
LeucineLeucineME4491156106C00123--
LiothyronineLiothyronineME4491305920C02465--
LysineLysineME4491165962C00047--
MethionineMethionineME4491175255805C01733--
NicotinamideNiacinamideME449119936C00153--
OrnithineOrnithineME4491216262C00077--
PhenylalaninePhenylalanineME4491226140C00079--
ProlineProlineME449123145742C00148--
SerineSerineME4491245951C00065--
SerotoninSerotoninME4491255202C00780--
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME449090657272D07349--
Symmetric dimethyl-L-arginineSymmetric dimethylarginineME44912617801140---
TaurineTaurineME4491271123C00245--
ThreonineThreonineME4491286288C00188--
ThyroxineThyroxineME44912925201348C01829--
trans-4-Hydroxyprolinetrans-4-HydroxyprolineME4490975810C01157--
TryptophanTryptophanME4491316305C00078--
TyrosineTyrosineME4491326057C00082--
UracilUracilME4491331174C00106--
Ureidopropionic acidUreidopropionic acidME449118111C02642--
ValineValineME4491346287C00183--
XanthosineXanthosineME44913564959C01762--
SUM_Monosaccharides-ME449105----


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
LPC 16:0LPC 16:0ME449160460602---
LPC 18:2LPC 18:2ME44916111005824---
LPC 20:4LPC 20:4ME44916253480469---
LPE 22:6LPE 22:6ME44916352925132---
PC 34:3PC 34:3ME44915724778699---
PC 34:4PC 34:4ME44915652922891---
PC 36:3PC 36:3ME44915852922843---
PC 38:6PC 38:6ME44915952923295---
SM (d14:0)SM 14:0;O2ME44916411433862---
SM (d15:0)SM 15:0;O2ME44916552931139---
SM (d16:1)SM 16:1;O2ME44916652931145---
SM (d18:0)SM 18:0;O2ME4491676453725---
SM (d20:0)SM 20:0;O2ME44916844260124---
SM (d22:0)SM 22:0;O2ME44917044260125---
SM (d22:1)SM 22:1;O2ME449169----
SM (d24:0)SM 24:0;O2ME44917244260127---
SM (d24:1)SM 24:1;O2ME449171----


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