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The relevant role of ion mobility separation in LC-HRMS based screening strategies for contaminants of emerging concern in the aquatic environment.
Celma, Alberto; Ahrens, Lutz; Gago-Ferrero, Pablo; Hernández, Félix; López, Francisco; Lundqvist, Johan; Pitarch, Elena; Sancho, Juan Vicente; Wiberg, Karin; Bijlsma, Lubertus.
Afiliación
  • Celma A; Environmental and Public Health Analytical Chemistry, Research Institute for Pesticides and Water, University Jaume I, Castelló, E-12071, Spain.
  • Ahrens L; Department of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences (SLU), Box 7050, SE-750 07, Uppsala, Sweden.
  • Gago-Ferrero P; Institute of Environmental Assessment and Water Research (IDAEA) Severo Ochoa Excellence Center, Spanish Council for Scientific Research (CSIC), Jordi Girona 18-26, E-08034, Barcelona, Spain.
  • Hernández F; Environmental and Public Health Analytical Chemistry, Research Institute for Pesticides and Water, University Jaume I, Castelló, E-12071, Spain.
  • López F; Environmental and Public Health Analytical Chemistry, Research Institute for Pesticides and Water, University Jaume I, Castelló, E-12071, Spain.
  • Lundqvist J; Department of Biomedicine and Veterinary Public Health, Swedish University of Agricultural Sciences, Box 7028, SE-750 07, Uppsala, Sweden.
  • Pitarch E; Environmental and Public Health Analytical Chemistry, Research Institute for Pesticides and Water, University Jaume I, Castelló, E-12071, Spain.
  • Sancho JV; Environmental and Public Health Analytical Chemistry, Research Institute for Pesticides and Water, University Jaume I, Castelló, E-12071, Spain.
  • Wiberg K; Department of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences (SLU), Box 7050, SE-750 07, Uppsala, Sweden.
  • Bijlsma L; Environmental and Public Health Analytical Chemistry, Research Institute for Pesticides and Water, University Jaume I, Castelló, E-12071, Spain. Electronic address: bijlsma@uji.es.
Chemosphere ; 280: 130799, 2021 Oct.
Article en En | MEDLINE | ID: mdl-34162120
Ion mobility separation (IMS) coupled to high resolution mass spectrometry (IMS-HRMS) is a promising technique for (non-)target/suspect analysis of micropollutants in complex matrices. IMS separates ionized compounds based on their charge, shape and size facilitating the removal of co-eluting isomeric/isobaric species. Additionally, IMS data can be translated into collision cross-section (CCS) values, which can be used to increase the identification reliability. However, IMS-HRMS for the screening of contaminants of emerging concern (CECs) have been scarcely explored. In this study, the role of IMS-HRMS for the identification of CECs in complex matrices is highlighted, with emphasis on when and with which purpose is of use. The utilization of IMS can result in much cleaner mass spectra, which considerably facilitates data interpretation and the obtaining of reliable identifications. Furthermore, the robustness of IMS measurements across matrices permits the use of CCS as an additional relevant parameter during the identification step even when reference standards are not available. Moreover, an effect on the number of true and false identifications could be demonstrated by including IMS restrictions within the identification workflow. Data shown in this work is of special interest for environmental researchers dealing with the detection of CECs with state-of-the-art IMS-HRMS instruments.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Espectrometría de Movilidad Iónica Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: Chemosphere Año: 2021 Tipo del documento: Article País de afiliación: España Pais de publicación: Reino Unido

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Espectrometría de Movilidad Iónica Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: Chemosphere Año: 2021 Tipo del documento: Article País de afiliación: España Pais de publicación: Reino Unido