title: Retrospective analysis of pesticide metabolites in urine using liquid chromatography coupled to high-resolution mass spectrometry.
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.
authors: Foundation for the Promotion of Health and Biomedical Research in the Valencian Region, FISABIO-Public Health, 21, Avenida Catalunya, Valencia, 46020 Spain; Analytical Chemistry Department, University of Valencia,, Edifici Jeroni Muñoz, Dr. Moliner 50, 46100 Spain; Public Health Laboratory of Valencia, 21, Avenida Catalunya, Valencia, 46020 Spain.
authors: Antonio
authors: A
authors: López
authors: Foundation for the Promotion of Health and Biomedical Research in the Valencian Region, FISABIO-Public Health, 21, Avenida Catalunya, Valencia, 46020 Spain; Analytical Chemistry Department, University of Valencia,, Edifici Jeroni Muñoz, Dr. Moliner 50, 46100 Spain; Public Health Laboratory of Valencia, 21, Avenida Catalunya, Valencia, 46020 Spain.
authors: Pablo
authors: P
authors: Dualde
authors: Foundation for the Promotion of Health and Biomedical Research in the Valencian Region, FISABIO-Public Health, 21, Avenida Catalunya, Valencia, 46020 Spain; Analytical Chemistry Department, University of Valencia,, Edifici Jeroni Muñoz, Dr. Moliner 50, 46100 Spain; Public Health Laboratory of Valencia, 21, Avenida Catalunya, Valencia, 46020 Spain. Electronic address: yusa_vic@gva.es.
authors: Vicent
authors: V
authors: Yusà
authors: Foundation for the Promotion of Health and Biomedical Research in the Valencian Region, FISABIO-Public Health, 21, Avenida Catalunya, Valencia, 46020 Spain; Public Health Laboratory of Valencia, 21, Avenida Catalunya, Valencia, 46020 Spain.
authors: Clara
authors: C
authors: Coscollà
mesh_terms: D002851:Chromatography, High Pressure Liquid; D004784:Environmental Monitoring; D005260:Female; D006801:Humans; D013058:Mass Spectrometry / Q000379:methods; D055432:Metabolomics; D010575:Pesticides / Q000378:metabolism / Q000652:urine*; D011247:Pregnancy / Q000652:urine*; D013030:Spain
chemical_list: D010575:Pesticides
keywords: High resolution mass spectrometry; Pesticide metabolites; Principal component analysis; Retrospective analysis; Urine