Metabolomic approach assisted high resolution LC-ESI-MS based identification of a xenobiotic derivative of fenhexamid produced by Lactobacillus casei

József Lénárt, Erika Bujna, Béla Kovács, Eszter Békefi, Leonóra Száraz, Mihály Dernovics

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

Fenhexamid is a widely used fungicide with one of the highest maximum tolerance limits approved for fruits and vegetables. The goal of this study was to examine if fenhexamid is metabolized by a nontarget organism, a Lactobacillus species (Lactobacillus casei Shirota), a probiotic strain of the human gastrointestinal tract. The assignment of bacterial derivatives of the xenobiotic fenhexamid was substantially facilitated by a metabolomic software based approach optimized for the extraction of molecular features of chlorine-containing compounds from liquid chromatography-electrospray ionization-quadrupole time-of-flight mass spectrometry data with an untargeted compound search algorithm. After validating the software with a set of seventeen chlorinated pesticides and manually verifying the result lists, eleven molecular features out of 4363 turned out to be bacterial derivatives of fenhexamid, revealing the O-glycosyl derivative as the most abundant one that arose from the fermentation medium of Lactobacillus casei Shirota in the presence of 100 μg/mL fenhexamid.

Original languageEnglish
Pages (from-to)8969-8975
Number of pages7
JournalJournal of Agricultural and Food Chemistry
Volume61
Issue number37
DOIs
Publication statusPublished - Sep 18 2013

Keywords

  • LC-ESI-QTOF-MS
  • fenhexamid- O -glucoside
  • metabolomics
  • xenobiotics

ASJC Scopus subject areas

  • Chemistry(all)
  • Agricultural and Biological Sciences(all)

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