title: High resolution mass spectrometry to investigate omeprazole and venlafaxine metabolites in wastewater.
abstract: This study reports an investigation of omeprazole and venlafaxine parent substances and metabolites in Italian municipal influent wastewaters (IWWs). These pharmaceuticals were selected because they are widely consumed in Italy, but are poorly detected in waste and surface water. The aim of the study was to identify the most relevant pharmaceuticals metabolites in wastewater in order to improve the prioritization step and choose priority pollutants for environmental monitoring campaigns. This was done by investigating omeprazole, venlafaxine and their main metabolites in 30 IWWs from ten Italian cities and by comparing results with information from pharmacokinetic studies. Analysis was performed by solid phase extraction (SPE) and high-performance liquid chromatography (HPLC) coupled to high resolution mass spectrometry (HRMS). We searched for 23 omeprazole and four venlafaxine metabolites using data-dependent and MS/MS methods. Parent omeprazole was never present in the samples. Six omeprazole metabolites were found in IWWs. Venlafaxine and two metabolites were present in all the samples. The metabolic profiles in Italian IWW agreed with results in IWW from Spain and with urinary excretion profiles from pharmacokinetic studies. Comparing results from different sources was useful to improve the identification of pharmaceuticals metabolites in environmental samples and to focus the attention of future studies on the most relevant compounds.
authors.affiliation: Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat, E-12071 Castellón, Spain.
authors.forename: Clara
authors.initials: C
authors.lastname: Boix
authors.affiliation: Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat, E-12071 Castellón, Spain.
authors.forename: María
authors.initials: M
authors.lastname: Ibáñez
authors.affiliation: IRCCS-Istituto di Ricerche Farmacologiche "Mario Negri", Department of Environmental Health Sciences, Via La Masa 19, 20156 Milan, Italy.
authors.forename: Renzo
authors.initials: R
authors.lastname: Bagnati
authors.affiliation: IRCCS-Istituto di Ricerche Farmacologiche "Mario Negri", Department of Environmental Health Sciences, Via La Masa 19, 20156 Milan, Italy.
authors.forename: Ettore
authors.initials: E
authors.lastname: Zuccato
authors.affiliation: Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat, E-12071 Castellón, Spain.
authors.forename: Juan V
authors.initials: JV
authors.lastname: Sancho
authors.affiliation: Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat, E-12071 Castellón, Spain.
authors.forename: Félix
authors.initials: F
authors.lastname: Hernández
authors.affiliation: IRCCS-Istituto di Ricerche Farmacologiche "Mario Negri", Department of Environmental Health Sciences, Via La Masa 19, 20156 Milan, Italy. Electronic address: sara.castiglioni@marionegri.it.
authors.forename: Sara
authors.initials: S
authors.lastname: Castiglioni
mesh_terms: D006801:Humans; D013058:Mass Spectrometry; D009853:Omeprazole / Q000378:metabolism*; D000069470:Venlafaxine Hydrochloride / Q000378:metabolism*; D062065:Wastewater / Q000032:analysis*
chemical_list: D009853:Omeprazole; D000069470:Venlafaxine Hydrochloride; D062065:Wastewater
keywords: High resolution mass spectrometry; Liquid chromatography; Metabolites; Omeprazole; Untreated wastewater; Venlafaxine