title: Development and validation of a multiresidue method for the analysis of more than 500 pesticides and drugs in water based on on-line and liquid chromatography coupled to high resolution mass spectrometry.
abstract: Screening of a large number of emerging pollutants is highly desirable for the control of water quality. In this respect, a novel, fully automated contaminant screening method based on an integrated sample preconcentration and liquid chromatography coupled to high resolution mass spectrometry (SPE-UHPLC-HRMS) has been developed. The optimal chromatographic column and experimental conditions allowing the retention and subsequent elution of the maximum number of analytes were defined. Liquid chromatography and Q-exactive (Orbitrap™) parameters were optimized to obtain the best separation of molecules of interest, and the lowest detection limits. Due to the large amount of data to compare, a script written in R language was developed to evaluate the quality of the data generated by the comparison of 14 experimental conditions. The developed method enables the simultaneous semi quantitative analysis of 539 compounds (pesticides and drug residues), in 36 min with only 5 mL of water. Method validation was achieved through studies of repeatability, selectivity, linearity and matrix effect. Application to 20 tap water samples collected in and around Paris showed the presence of 34 different compounds all with concentrations below 0.1 μg/L, the European Union limit for drinking water. Pesticides and transformation products frequently found in water resources such as atrazine and its metabolites, hexazinone, oxadixyl, propazine and simazine were detected. Drug residues such as valsartan and carbamazepine, usually not monitored, were also found. The next step will be to assess the ability of this method to highlight the presence of unexpected contaminants not present in our database.
authors: Profilomic, 31 rue d'Aguesseau, 92100 Boulogne Billancourt, France.
authors: Jérôme
authors: J
authors: Cotton
authors: Profilomic, 31 rue d'Aguesseau, 92100 Boulogne Billancourt, France.
authors: Fanny
authors: F
authors: Leroux
authors: Profilomic, 31 rue d'Aguesseau, 92100 Boulogne Billancourt, France.
authors: Simon
authors: S
authors: Broudin
authors: Profilomic, 31 rue d'Aguesseau, 92100 Boulogne Billancourt, France.
authors: Marion
authors: M
authors: Poirel
authors: Profilomic, 31 rue d'Aguesseau, 92100 Boulogne Billancourt, France.
authors: Bruno
authors: B
authors: Corman
authors: Laboratoire d'Etude du Métabolisme des Médicaments, CEA-INRA UMR 0496 DRF/iBiTec-S/SPI, Université Paris Saclay, MetaboHUB-Paris, 91191 Gif-sur-Yvette cedex, France.
authors: Christophe
authors: C
authors: Junot
authors: Profilomic, 31 rue d'Aguesseau, 92100 Boulogne Billancourt, France. Electronic address: celine.ducruix@profilomic.com.
authors: Céline
authors: C
authors: Ducruix
mesh_terms: D002851:Chromatography, High Pressure Liquid; D002853:Chromatography, Liquid; D057230:Limit of Detection; D013058:Mass Spectrometry; D010575:Pesticides; D014867:Water; D014874:Water Pollutants, Chemical / Q000737:chemistry
chemical_list: D010575:Pesticides; D014874:Water Pollutants, Chemical; D014867:Water
keywords: Drinking water; Drugs; Multiresidue; Pollutants; Screening; UHPLC–HRMS