Retrospective analysis of pesticide metabolites in urine using liquid chromatography coupled to high-resolution mass spectrometry

Talanta. 2016 Nov 1:160:547-555. doi: 10.1016/j.talanta.2016.07.065. Epub 2016 Jul 31.

Abstract

A comprehensive retrospective analysis of pesticide metabolites in urine was developed, using liquid chromatography coupled to Orbitrap high-resolution mass spectrometry (UHPLC-HRMS) that includes both post-run target (suspect screening) and non-target screening. An accurate-mass database comprising 263 pesticide metabolites was built and used for the post-run screening analysis. For non-target analysis, a "fragmentation-degradation" relationship strategy was selected. The proposed methodology was applied to 49 real urine samples from pregnant women. In the post-target analysis 26 pesticide metabolites were tentatively identified, 8 of which (2-diethylamino-6-methyl-pyrimidinol; 3-ketocarbofuran; 4,6-dimethoxy-2-pyrimidinamine; 4-hydroxy-2-isporopyl-6-methylpyrimidine; diethyl malate; diethyl maleate; N-(2-Ethyl-6-methylphenyl)-2-hydroxyacetamide and propachlor oxanilic acid ) were confirmed using analytical standards. Likewise, one unknown degradation product, methyl-N-phenylcarbamate was elucidated in the non-target screening. Finally, the real urine samples were grouped according to their origin applying a metabolomic approach.

Keywords: High resolution mass spectrometry; Pesticide metabolites; Principal component analysis; Retrospective analysis; Urine.

MeSH terms

  • Chromatography, High Pressure Liquid
  • Environmental Monitoring
  • Female
  • Humans
  • Mass Spectrometry / methods
  • Metabolomics
  • Pesticides / metabolism
  • Pesticides / urine*
  • Pregnancy / urine*
  • Spain

Substances

  • Pesticides