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Related Experiment Video

Updated: Jun 25, 2026

Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry UPLC-MS
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Fungicide Metabolite MS2 Spectral Libraries for Comprehensive Human Biomonitoring.

Romanas Chaleckis1, Yuki Ito1, Hitomi Wasada1

  • 1Department of Occupational and Environmental Health, Nagoya City University Graduate School of Medical Sciences, Nagoya 467-8601, Japan.

Journal of Agricultural and Food Chemistry
|August 5, 2024
PubMed
Summary

This study developed new spectral libraries to detect fungicide metabolites in urine. These libraries improve human biomonitoring for ubiquitous environmental fungicide exposure.

Keywords:
MS2 librarypesticidesuspect screeningtebuconazoleuntargeted measurementsurine

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Area of Science:

  • Environmental Chemistry
  • Analytical Chemistry
  • Toxicology

Background:

  • Fungicides are widely used and can lead to human exposure through urine excretion.
  • Existing methods for detecting fungicides and their metabolites are limited.
  • A lack of spectral libraries hinders accurate fungicide metabolite identification using high-resolution mass spectrometry (HRMS).

Purpose of the Study:

  • To create spectral libraries for 32 fungicides and their metabolites.
  • To develop a suspect screening method for fungicide exposure assessment.
  • To apply the developed method to human biomonitoring.

Main Methods:

  • Fungicide standards were administered to mice, and urine was analyzed using hydrophilic interaction and reversed-phase chromatography coupled to hybrid quadrupole-orbitrap mass spectrometry.
  • Suspect metabolite MS2 spectra were generated for library creation using exposed-to-control mouse urine ratios.
  • The created MS2 libraries were applied to urine samples from female university students.

Main Results:

  • Spectral libraries were successfully created for 32 fungicides.
  • Metabolites of tetraconazole and tebuconazole were detected in 3% of the student urine samples.
  • The study demonstrated the utility of suspect screening MS2 libraries for detecting fungicide exposure.

Conclusions:

  • Comprehensive suspect screening MS2 libraries are valuable tools for human biomonitoring of fungicide exposure.
  • This approach enhances the ability to identify and quantify fungicide metabolites in biological samples.
  • The findings contribute to a better understanding of human exposure to ubiquitous environmental compounds.