title: Analysis of psychoactive substances in water by information dependent acquisition on a hybrid quadrupole time-of-flight mass spectrometer.
abstract: Emerging drugs of abuse, belonging to many different chemical classes, are attracting users with promises of "legal" highs and easy access via internet. Prevalence of their consumption and abuse through wastewater-based epidemiology can only be realized if a suitable analytical screening procedure exists to detect and quantify them in water. Solid-phase extraction and ultra-high performance liquid chromatography quadrupole time-of-flight-mass spectrometry (UHPLC-QqTOF-MS/MS) was applied for rapid suspect screening as well as for the quantitative determination of 42 illicit drugs and metabolites in water. Using this platform, we were able to identify amphetamines, tryptamines, piperazines, pyrrolidinophenones, arylcyclohexylamines, cocainics, opioids and cannabinoids. Additionally, paracetamol, carbamazepine, ibersartan, valsartan, sulfamethoxazole, terbumeton, diuron, etc. (including degradation products as 3-hydroxy carbamazepine or deethylterbuthylazine) were detected. This method encompasses easy sample preparation and rapid identification of psychoactive drugs against a database that cover more than 2000 compounds that ionized in positive mode, and possibility to identify metabolites and degradation products as well as unknown compounds. The method for river water, influent and effluents samples was fully validated for the target psychoactive substances including assessment of matrix effects (-88-67.8%), recovery (42-115%), precision (<19%) and limits of quantification (1-100ngL(-1)). Method efficiency was thoroughly investigated for a wide range of waste and surface waters. Robust and repeatable functioning of this platform in the screening, identification and quantification of traditional and new psychoactive drugs biomarkers and other water contaminants is demonstrated.
authors.affiliation: Environmental and Food Safety Research Group (SAMA-UV), Desertification Research Centre CIDE (CSIC-UV-GV), Faculty of Pharmacy, University of Valencia. Burjassot, Valencia, Spain. Electronic address: m.jesus.andres@uv.es.
authors.forename: María Jesús
authors.initials: MJ
authors.lastname: Andrés-Costa
authors.affiliation: Landscape Chemistry and Environmental Forensics Group, CIDE (CSIC-UV-GV), Moncada, Valencia, Spain.
authors.forename: Vicente
authors.initials: V
authors.lastname: Andreu
authors.affiliation: Environmental and Food Safety Research Group (SAMA-UV), Desertification Research Centre CIDE (CSIC-UV-GV), Faculty of Pharmacy, University of Valencia. Burjassot, Valencia, Spain.
authors.forename: Yolanda
authors.initials: Y
authors.lastname: Picó
mesh_terms: D002851:Chromatography, High Pressure Liquid; D062126:Databases, Chemical; D006801:Humans; D013287:Illicit Drugs / Q000032:analysis* / Q000378:metabolism; D011619:Psychotropic Drugs / Q000032:analysis* / Q000378:metabolism; D045483:Rivers / Q000737:chemistry*; D052616:Solid Phase Extraction / Q000379:methods; D053719:Tandem Mass Spectrometry / Q000379:methods*; D062065:Wastewater / Q000737:chemistry*; D014874:Water Pollutants, Chemical / Q000032:analysis* / Q000378:metabolism
chemical_list: D013287:Illicit Drugs; D011619:Psychotropic Drugs; D062065:Wastewater; D014874:Water Pollutants, Chemical
keywords: High resolution mass spectrometry; Psychoactive drugs; Quantification; Screening; Water