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Updated: May 2, 2026

Untargeted Liquid Chromatography-Mass Spectrometry-Based Metabolomics Analysis of Wheat Grain
Published on: March 13, 2020
Simultaneous determination of pyroxasulfone and its metabolites in wheat: Implications for safe application
Feng Lan1, Xueting Sun2, Renshan Wang3
1Testing Center of Fruit and Seedling Quality, Laboratory of Quality and Safety Risk Assessment for Fruit, Ministry of Agriculture and Rural Affairs, Key Laboratory of Quality, Safety and Nutrition of Characteristic Fruits, Yantai Academy of Agricultural Sciences, Yantai 265500, China.
Abstract:
Understanding pyroxasulfone residue dynamics in wheat under China's climatic and soil conditions is critical for establishing rational usage guidelines, setting maximum residue limits, and safeguarding human health. Field trials were conducted across 10 major wheat-producing regions to evaluate the residues of 40 % pyroxasulfone suspensions in winter wheat. A UPLC-MS/MS method was developed to simultaneously quantify pyroxasulfone and four metabolites in grains and straw. The method demonstrated recoveries of 73 %-93 %, with relative standard deviations (RSDs) of 7 %-15 % and a limit of quantification (LOQ) of 0.02 mg/kg. Only the M1 metabolite of pyroxasulfone was detected in straw (0.034-0.18 mg/kg), while residues of all five analytes in grains remained below the LOQ (<0.02 mg/kg). Dietary intake risk assessment confirmed low health concerns. To effectively control annual weeds in wheat fields, a single preemergence soil application of 40 % pyroxasulfone suspension at 180 g a.i./ha is recommended.

