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

József Lénárt, Erika Bujna, B. Kovács, Eszter Békefi, Leonóra Száraz, M. Dernovics

Research output: Contribution to journalArticle

4 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

Fingerprint

fenhexamid
Lactobacillus casei
Metabolomics
metabolomics
Xenobiotics
xenobiotics
chemical derivatives
Derivatives
Chlorine Compounds
Software
Fungicides
Electrospray ionization
nontarget organisms
Chlorine
Liquid chromatography
Vegetables
Probiotics
Lactobacillus
chlorine
Fruits

Keywords

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

ASJC Scopus subject areas

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

Cite this

Metabolomic approach assisted high resolution LC-ESI-MS based identification of a xenobiotic derivative of fenhexamid produced by Lactobacillus casei. / Lénárt, József; Bujna, Erika; Kovács, B.; Békefi, Eszter; Száraz, Leonóra; Dernovics, M.

In: Journal of Agricultural and Food Chemistry, Vol. 61, No. 37, 18.09.2013, p. 8969-8975.

Research output: Contribution to journalArticle

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