title: LC-QTOF MS screening of more than 1,000 licit and illicit drugs and their metabolites in wastewater and surface waters from the area of Bogotá, Colombia.
abstract: A large screening of around 1,000 emerging contaminants, focused on licit and illicit drugs and their metabolites, has been made in urban wastewaters (both influent and effluent) and surface waters from the area of Bogotá, Colombia. After a simple generic solid-phase extraction (SPE) step with Oasis hydrophilic-lipophilic balanced (HLB) cartridges, analyses were made by ultra high-performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UHPLC-QTOF MS) under MS(E) mode (sequential acquisition of mass spectra at low energy (LE) and high collision energy (HE)). Accurate mass measurements and the information provided by MS(E) on the presence of the (de)protonated molecule and fragment ions allowed the reliable identification of the compounds detected, even without reference standards being available in some cases (tentative identification). The compounds most frequently found were acetaminophen/paracetamol, carbamazepine and its dihydro-dihydroxylated metabolite, clarithromycin, diclofenac, ibuprofen, gemfibrozil, lincomycin, losartan, valsartan, the two metabolites of metamizole (4-acetamido-antipyrine and 4-formylamino-antipyrine), sucralose, and cocaine and its main metabolite benzoylecgonine. Caffeine, the sweetener saccharin, and two hydroxylated metabolites of losartan were tentatively identified in almost all samples analyzed. Pharmaceutical lidocaine was tentatively identified and subsequently confirmed with reference standard. For the first time, a general overview of the occurrence of drugs and their metabolites in the aquatic environment of Colombia has been reported. In the near future, target methodologies, typically based on liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS), will need to be set up for accurate and sensitive quantification of the contaminants selected on the basis on the information provided in the present paper.
authors.affiliation: Research Institute for Pesticides and Water, University Jaume I, Avda. Vicent Sos Baynat, s/n. Campus del Riu Sec, 12071, Castellón, Spain, hernandf@uji.es.
authors.forename: Félix
authors.initials: F
authors.lastname: Hernández
authors.forename: María
authors.initials: M
authors.lastname: Ibáñez
authors.forename: Ana-María
authors.initials: AM
authors.lastname: Botero-Coy
authors.forename: Richard
authors.initials: R
authors.lastname: Bade
authors.forename: Martha Cristina
authors.initials: MC
authors.lastname: Bustos-López
authors.forename: Javier
authors.initials: J
authors.lastname: Rincón
authors.forename: Alejandro
authors.initials: A
authors.lastname: Moncayo
authors.forename: Lubertus
authors.initials: L
authors.lastname: Bijlsma
mesh_terms: D002853:Chromatography, Liquid / Q000379:methods*; D003105:Colombia; D013287:Illicit Drugs / Q000032:analysis*; D013058:Mass Spectrometry / Q000379:methods*; D004364:Pharmaceutical Preparations / Q000032:analysis*; D062065:Wastewater / Q000737:chemistry*; D014874:Water Pollutants, Chemical / Q000032:analysis*
chemical_list: D013287:Illicit Drugs; D004364:Pharmaceutical Preparations; D062065:Wastewater; D014874:Water Pollutants, Chemical