A gas chromatography full scan high resolution Orbitrap mass spectrometry method for separation and characterization of 3-hydroxymethyl pyridine ester of fatty acids at low levels

J Chromatogr A. 2018 Nov 9:1575:72-79. doi: 10.1016/j.chroma.2018.09.010. Epub 2018 Sep 7.

Abstract

Fatty acid methyl esters (FAMEs), which are commonly used to characterize lipids, have several limitations to conclude on many structures. 3-Pyridylcarbinol esters (3-PCE) are used to characterize fatty acid structures [1], in particular, to identify ring and double bond positions on the carbon chain. Chromatographic separation of these esters is complex due to their polarity and high boiling points. In this study, we used a column with high resolutive power based on ionic liquids to increase the separation quality in gas chromatography (GC). In addition, we used a high-resolution detector (Orbitrap) to limit non-specific signals and improve the detection limits. This detector could be used with a mass filter at 5 ppm for the rapid determination of 3-PCE from its characteristic ions (m/z = 108.0441 and 92.0495). This filter allowed the identification of derivative fatty acids with good sensibility. Thus, it was possible to characterize 3-PCE by measuring the exact fragment masses to confirm structures such as C19:2n12cycloΔ9.

Keywords: 3-hydroxymethyl pyridine ester; EI; FAME; GC; Ionic liquid; NIST; Orbitrap; Q-Exactive.

MeSH terms

  • Chemistry Techniques, Analytical / methods*
  • Esters / chemistry
  • Esters / isolation & purification*
  • Fatty Acids / chemistry*
  • Gas Chromatography-Mass Spectrometry*
  • Ionic Liquids / chemistry
  • Nicotinyl Alcohol / chemistry
  • Nicotinyl Alcohol / isolation & purification

Substances

  • Esters
  • Fatty Acids
  • Ionic Liquids
  • Nicotinyl Alcohol