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Analysis: ESI positive ion mode: (Thermo Scientific Quantiva:Organic Acids)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-HBA-ME701227----
3-HBA3-Hydroxybutyric acidME701230441C01089--
a-KG2-Oxoglutaric acidME70123451C00026--
CitrateCitric acidME701235311C00158--
FumarateFumaric acidME701232444972C00122--
LactateLactic acidME701228107689C00186--
MalateMalic acidME701233222656C00149--
PyruvatePyruvic acidME7012291060C00022--
SuccinateSuccinic acidME7012311110C00042--


Analysis: ESI positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
C10CAR 10:0ME701257----
C10-OHCAR 10:0ME701258----
C12CAR 12:0ME701260----
C12:1CAR 12:1ME701259----
C12-OHCAR 12:0;OHME701261----
C14CAR 14:0ME701266----
C14:1CAR 14:1ME701262----
C14:1-OHCAR 14:1;OHME701263----
C14:2CAR 14:2ME701264----
C14:2-OHCAR 14:2;OHME701265----
C14-OHCAR 14:0;OHME701267----
C16CAR 16:0ME701272----
C16:1CAR 16:1ME701268----
C16:1-OHCAR 16:1;OHME701269----
C16:2CAR 16:2ME701270----
C16:2-OHCAR 16:2;OHME701271----
C16-OHCAR 16:0ME701273----
C18CAR 18:0ME701278----
C18:1CAR 18:1ME701274----
C18:1-OHCAR 18:1;OHME701275----
C18:2CAR 18:2ME701276----
C18:2-OHCAR 18:2;OHME701277----
C18-OHCAR 18:0;OHME701279----
C2CAR 2:0ME701236----
C20CAR 20:0ME701286----
C20:1CAR 20:1ME701280----
C20:1-OHCAR 20:1;OHME701281----
C20:2CAR 20:2ME701282----
C20:2-OHCAR 20:2;OHME701283----
C20:3CAR 20:3ME701284----
C20:4CAR 20:4ME701285----
C20-OH/C22:6-DC-ME701287----
C22CAR 22:0ME701293----
C22:1CAR 22:1ME701288----
C22:2CAR 22:2ME701289----
C22:3CAR 22:3ME701290----
C22:4CAR 22:4ME701291----
C22:5CAR 22:5ME701292----
C3CAR 3:0ME701238----
C3-DCCAR DC3:0ME701237----
C4:1CAR 4:1ME701241----
C4 ButyrylCAR 4:0ME701239----
C4-DC MethylmalonylCAR 4:0ME701242----
C4-DC SuccinylCAR 4:0ME701243----
C4 IsobutrylCAR 4:0ME701240----
C4-OH Butyryl-ME701244----
C4-OH Isobutyryl-ME701245----
C5:1CAR 5:1ME701249----
C5 2-MethylbutyrylCAR 5:0ME701246----
C5-DCCAR DC5:0ME701250----
C5 IsovalerylCAR 5:0ME701247----
C5-OHCAR 5:0;OHME701251----
C5 ValerylCAR 5:0ME701248----
C6CAR 6:0ME701252----
C6-OHCAR 6:0;OHME701253----
C8CAR 8:0ME701255----
C8:1-OHCAR 8:1;OHME701254----
C8-OHCAR 8:0;OHME701256----


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