Nontargeted profiling of coenzyme A thioesters in biological samples by tandem mass spectrometry

Anal Chem. 2013 Sep 3;85(17):8284-90. doi: 10.1021/ac401555n. Epub 2013 Aug 14.

Abstract

Coenzyme A (CoA) thioesters are ubiquitously present in metabolic networks and play a pivotal role in enzymatic formation and cleavage of carbon-carbon bonds. We present a method allowing nontargeted profiling of CoA-thioesters in biological samples. The reported UHPLC-MS/MS approach employes ion-pairing chromatography to separate CoA-metabolites carrying different chemical functionalities such as hydroxyl or multiple carboxyl groups and to distinguish between isomers. Selective detection of CoA-thioesters is accomplished by precursor ion scanning on a triple quadrupole mass spectrometer and takes advantage of the abundant fragment with m/z = -408 that originates from the CoA-moiety. We used a mixture of 19 commercially available CoA-derivatives to develop and optimize our method. As a proof of concept we demonstrated detection of the major CoA-intermediates of branched chain amino acid degradation in biological samples. We then applied our method to investigate degradation of lipids in the microorganism Mycobacterium smegmatis. Profiling of CoA-thioesters led to the discovery of a novel intermediate of cholesterol degradation. This demonstrates the power of our method for untargeted profiling of CoA-thioesters and adds a missing link in mycobacterial cholesterol catabolism.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Cattle
  • Coenzyme A / analysis*
  • Esters / analysis
  • Serum Albumin, Bovine / analysis
  • Sulfhydryl Compounds / analysis
  • Tandem Mass Spectrometry / methods*

Substances

  • Esters
  • Sulfhydryl Compounds
  • Serum Albumin, Bovine
  • Coenzyme A