Suspect, non-target and target screening of emerging pollutants using data independent acquisition: Assessment of a Mediterranean River basin
| Autor: | Xavier Ortiz, Alexander Ccanccapa-Cartagena, Eric J. Reiner, Yolanda Picó |
|---|---|
| Přispěvatelé: | Ministerio de Economía y Competitividad (España), Agencia Estatal de Investigación (España), European Commission, Generalitat Valenciana, Ministerio de Ciencia, Innovación y Universidades (España), Picó, Yolanda, Picó, Yolanda [0000-0002-9545-0965] |
| Rok vydání: | 2019 |
| Předmět: |
Mediterranean climate
Environmental Engineering 010504 meteorology & atmospheric sciences Drainage basin 010501 environmental sciences 01 natural sciences Environmental impact of pharmaceuticals and personal care products Suspected screening Contamination profiling Non target Environmental Chemistry Data-independent acquisition Waste Management and Disposal 0105 earth and related environmental sciences Pollutant geography geography.geographical_feature_category Pollution High-resolution-mass-spectrometry Isotopic ratio Aquatic environment Environmental chemistry Non-target screening Environmental science Turia river Target screening |
| Zdroj: | Digital.CSIC. Repositorio Institucional del CSIC instname |
| ISSN: | 0048-9697 |
| Popis: | A single workflow based on three approaches (target, suspected and non-target screening) using liquid chromatography coupled to quadrupole-time-of-flight mass spectrometry (LC-QTOF-MS) in data independent acquisition mode (DIA) was developed to assess the presence of emerging pollutants (EPs) in water and sediments from a Mediterranean River Basin. Identification of potential contaminants was based on mass accuracy, isotopic ratio pattern, theoretical fragmentation, and retention time using Waters UNIFI software. In the suspect screening against a library containing 2200 components, 68 contaminants were tentatively identified, 6 of which were confirmed and quantified with analytical standards. Non-target screening (NTS) required additional manual processing and the aid of an on-line database (ChemSpider) to tentatively identify compounds. Eprosartan, an antihypertensive drug not included in the library used for suspected screening, was confirmed and semi-quantified. The identification of Eprosartan proved the workflow to be functional for NTS. Target screening of 171 pesticides and 33 pharmaceuticals and personal care products (PPCPs) including the compounds confirmed using suspect and non target screening achieved monitoring of the most abundant contaminants from the head to the mouth of the Turia basin to establish their spatial distribution. QTOF-MS screening versatility with its high-resolution capability allows for a comprehensive assessment of EPs in the aquatic environment. This work has been supported by the Spanish Ministry of Science, Innovation and Universities and the ERDF (European Regional Development Funds) through the project GCL2015-64454-C2-1-R (ECO2risk-dds) and the project RTI2018-097158-B-C31(Wetanpack) and through the Generalitat Valenciana (ANTROPOCEN@, PROMETEO/2018/155). A. Ccanccapa gratefully acknowledges the Conselleria D'Educació, Cultura i Sport de la Generalitat Valenciana for the financial support through “Santiago Grisolía” Scholarship Program. |
| Databáze: | OpenAIRE |
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