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Analysis: Amino Acid method

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
AlanineAlanineME1198425950C000414.16-
ArginineArginineME1198436322C000622.68-
AsparagineAsparagineME1198446267C001522.25-
Aspartic AcidAspartic acidME1198455960-2.99-
CitrullineCitrullineME1198469750C003273.33-
Glutamic AcidGlutamic acidME11984733032-3.35-
GlutamineGlutamineME1198485961C000642.65-
GlycineGlycineME119849750C000372.81-
HistidineHistidineME1198506274C001352.07-
IsoleucineIsoleucineME1198516306C004078.15-
LeucineLeucineME1198526106C001238.26-
LysineLysineME1198535962C000476.66-
MethionineMethionineME1198546137C000736.87-
OrnithineOrnithineME1198556262C000775.93-
PhenylalaninePhenylalanineME1198566140C000798.4-
ProlineProlineME119857145742C001484.84-
SerineSerineME1198585951C000652.6-
ThreonineThreonineME1198596288C001883.74-
TryptophanTryptophanME1198606305C000788.54-
TyrosineTyrosineME1198616057C000826.66-
ValineValineME1198626287C001837.09-


Analysis: Acylcarnitine method

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
C10CAR 10:0ME11988528402062-7.93-
C10-OHCAR 10:0ME119886--7.13-
C12CAR 12:0ME119887168381-8.53-
C12:1CAR 12:1ME11988853481671-8.22-
C12-OHCAR 12:0;OHME11988953481640-7.88-
C14CAR 14:0ME1198906426854-9.07-
C14:1CAR 14:1ME11989122833575-8.74-
C14:1-OHCAR 14:1;OHME119892--8.08-
C14:2CAR 14:2ME11989371464539-8.34-
C14:2-OHCAR 14:2;OHME11989471464482-7.99-
C14-OHCAR 14:0;OHME11989571464541-8.48-
C16CAR 16:0ME11989611953816-9.57-
C16:1CAR 16:1ME11989753481653-9.27-
C16:1-OHCAR 16:1;OHME11989871464549-8.72-
C16:2CAR 16:2ME11989971464545-8.98-
C16:2-OHCAR 16:2;OHME11990071464484-9.46-
C16-OHCAR 16:0ME11990153481693-9.02-
C18CAR 18:0ME1199026426855-10.02-
C18:1CAR 18:1ME11990346907933-9.71-
C18:1-OHCAR 18:1;OHME11990471464558-9.22-
C18:2CAR 18:2ME1199056450015-9.42-
C18:2-OHCAR 18:2;OHME11990671464556-8.919-
C18-OHCAR 18:0;OHME11990771464560-9.453-
C2CAR 2:0ME1198631-3.077-
C20CAR 20:0ME11990853477833-10.424-
C20:1CAR 20:1ME11990971464507-10.13-
C20:1-OHCAR 20:1;OHME119910--9.65-
C20:2CAR 20:2ME11991171464509-10.13-
C20:2-OHCAR 20:2;OHME119912--9.366-
C20:3CAR 20:3ME119913--9.6-
C20:4CAR 20:4ME11991453477832-9.356-
C20-OH/C22:6-ME11991571464572-9.967577.3, 190.1
C22CAR 22:0ME11991671464577-10.798-
C22:1CAR 22:1ME119917--10.494-
C22:2CAR 22:2ME11991871464511-10.225-
C22:3CAR 22:3ME119919--9.994-
C22:4CAR 22:4ME11992071464592-9.79-
C22:5CAR 22:5ME11992171464594-9.548-
C3CAR 3:0ME119864107738-3.769-
C3-DCCAR DC3:0ME11986522833583-5.079-
C3-OHCAR 3:0;OHME11986653481613-2.514-
C4:1CAR 4:1ME119869--4.105-
C4 ButyrylCAR 4:0ME119867439829-4.498-
C4-DC MethylmalonylCAR 4:0ME11987053481628-5.357-
C4-DC SuccinylCAR 4:0ME11987171464481-5.172-
C4 Isobutyryl-ME119868168379-4.399337.2, 190.1
C4-OH Butyryl-ME11987271464477-3.205353.2, 190.1
C4-OH Isobutyryl-ME119873--3.105353.2, 190.2
C5:1CAR 5:1ME11987722833596-4.751-
C5 2-MethylbutyrylCAR 5:0ME1198746426901-5.106-
C5-DCCAR DC5:0ME11987853481622-5.451-
C5 IsovalerylCAR 5:0ME1198756426852-5.232-
C5-OHCAR 5:0;OHME119879--3.717-
C5 ValerylCAR 5:0ME1198766426903-5.32-
C6CAR 6:0ME1198806426853-6.124-
C6-OHCAR 6:0;OHME11988153481624-3.99-
C8CAR 8:0ME11988211953814-7.197-
C8:1-OHCAR 8:1;OHME119883--5.622-
C8-OHCAR 8:0;OHME119884--6.143-


Analysis: Organic acid method

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
_3_HBA3-Hydroxybutyric acidME119924441C010894.21-
a-KG2-Oxoglutaric acidME119928164533C000266.59-
CitrateCitric acidME119929311-5.95-
FumarateFumaric acidME119926444972-5.59-
LactateLactic acidME119922107689-3.98-
MalateMalic acidME119927525-5.28-
PyruvatePyruvic acidME1199231060C000226.68-
SuccinateSuccinic acidME1199251110-5.44-


Analysis: NAD-ATP method

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
ADPADPME1199376022C000081.51-
AMPAMPME1199366083C000201.51-
ATPATPME1199385957C000021.5-
NADNAD+ME1199325893C000031.92-
NADHNADHME119934439153C000041.86-
NADPNADP+ME1199335886C000061.7-
NADPHNADPHME1199355884C000050.66-
NAMNiacinamideME119930936-1.69-
NMNNicotinamide ribotideME11993114180C004551.25-


Analysis: CoA method

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Acetyl-CoAAcetyl-CoAME119939444493C000241.37-
Malonyl-CoAMalonyl-CoAME119940644066C000831.16-


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