title: Retrospective screening of pesticide metabolites in ambient air using liquid chromatography coupled to high-resolution mass spectrometry.
abstract: A new methodology for the retrospective screening of pesticide metabolites in ambient air was developed, using liquid chromatography coupled to Orbitrap high-resolution mass spectrometry (UHPLC-HRMS), including two systematic workflows (i) post-run target screening (suspect screening) and (ii) non-target screening. An accurate-mass database was built and used for the post-run screening analysis. The database contained 240 pesticide metabolites found in different matrixes such as air, soil, water, plants, animals and humans. For non-target analysis, a "fragmentation-degradation" relationship strategy was selected. The proposed methodology was applied to 31 air samples (PM10) collected in the Valencian Region (Spain). In the post-target analysis 34 metabolites were identified, of which 11 (3-ketocarburan, carbofuran-7-phenol, carbendazim, desmethylisoproturon, ethiofencarb-sulfoxide, malaoxon, methiocarb-sulfoxide, N-(2-ethyl-6-methylphenyl)-L-alanine, omethoate, 2-hydroxy-terbuthylazine, and THPAM) were confirmed using analytical standards. The semiquantitative estimated concentration ranged between 6.78 and 198.31 pg m(-3). Likewise, two unknown degradation products of malaoxon and fenhexamid were elucidated in the non-target screening.
authors.affiliation: Foundation for the Promotion of Health and Biomedical Research in the Valencian Region, FISABIO-Public Health, 21, Avenida Catalunya, 46020 Valencia, Spain; Public Health Laboratory of Valencia, 21, Avenida Catalunya, 46020 Valencia, Spain.
authors.forename: Antonio
authors.initials: A
authors.lastname: López
authors.affiliation: Foundation for the Promotion of Health and Biomedical Research in the Valencian Region, FISABIO-Public Health, 21, Avenida Catalunya, 46020 Valencia, Spain; Analytical Chemistry Department, University of Valencia, Edifici Jeroni Muñoz, Dr. Moliner 50, 46100 Burjassot, Spain; Public Health Laboratory of Valencia, 21, Avenida Catalunya, 46020 Valencia, Spain. Electronic address: yusa_vic@gva.es.
authors.forename: Vicent
authors.initials: V
authors.lastname: Yusà
authors.affiliation: Institut de Chimie et Procedes pour l'Energie, l'Environnement et la Sante, ICPEES UMR 7515, Groupe de Physico-Chimie de l'Atmosphere, Université de Strasbourg/CNRS, France.
authors.forename: Maurice
authors.initials: M
authors.lastname: Millet
authors.affiliation: Foundation for the Promotion of Health and Biomedical Research in the Valencian Region, FISABIO-Public Health, 21, Avenida Catalunya, 46020 Valencia, Spain; Public Health Laboratory of Valencia, 21, Avenida Catalunya, 46020 Valencia, Spain.
authors.forename: Clara
authors.initials: C
authors.lastname: Coscollà
mesh_terms: D000388:Air / Q000032:analysis*; D053000:Analytic Sample Preparation Methods; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D013058:Mass Spectrometry / Q000379:methods*; D010573:Pesticide Residues / Q000032:analysis* / Q000378:metabolism
chemical_list: D010573:Pesticide Residues
keywords: Ambient air; High resolution mass spectrometry; Metabolites; Pesticides; Retrospective analysis; Transformation products