Improving Target and Suspect Screening High-Resolution Mass Spectrometry Workflows in Environmental Analysis by Ion Mobility Separation
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Otros documentos de la autoría: Celma, Alberto; Sancho, Juan V; Schymanski, Emma; Fabregat-Safont, David; Ibáñez, Maria; Goshawk, Jeff; Barknowitz, Gitte; Hernandez, Felix; Bijlsma, Lubertus
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Título
Improving Target and Suspect Screening High-Resolution Mass Spectrometry Workflows in Environmental Analysis by Ion Mobility SeparationAutoría
Fecha de publicación
2020-11-19Editor
American Chemical SocietyISSN
0013-936X; 1520-5851Cita bibliográfica
CELMA, Alberto, et al. Improving Target and Suspect Screening High-Resolution Mass Spectrometry Workflows in Environmental Analysis by Ion Mobility Separation. Environmental Science & Technology, 2020, vol. 54, no 23, p. 15120-15131.Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
https://pubs.acs.org/doi/10.1021/acs.est.0c05713Versión
info:eu-repo/semantics/acceptedVersionResumen
Currently, the most powerful approach to monitor
organic micropollutants (OMPs) in environmental samples is the
combination of target, suspect, and nontarget screening strategies
using high-resolution mass spectr ... [+]
Currently, the most powerful approach to monitor
organic micropollutants (OMPs) in environmental samples is the
combination of target, suspect, and nontarget screening strategies
using high-resolution mass spectrometry (HRMS). However, the
high complexity of sample matrices and the huge number of OMPs
potentially present in samples at low concentrations pose an
analytical challenge. Ion mobility separation (IMS) combined with
HRMS instruments (IMS−HRMS) introduces an additional
analytical dimension, providing extra information, which facilitates
the identification of OMPs. The collision cross-section (CCS)
value provided by IMS is unaffected by the matrix or chromatographic separation. Consequently, the creation of CCS databases
and the inclusion of ion mobility within identification criteria are of
high interest for an enhanced and robust screening strategy. In this work, a CCS library for IMS−HRMS, which is online and freely
available, was developed for 556 OMPs in both positive and negative ionization modes using electrospray ionization. The inclusion
of ion mobility data in widely adopted confidence levels for identification in environmental reporting is discussed. Illustrative
examples of OMPs found in environmental samples are presented to highlight the potential of IMS−HRMS and to demonstrate the
additional value of CCS data in various screening strategies. [-]
Publicado en
Environmental Science & Technology, 2020, vol. 54, no 23.Entidad financiadora
Ministerio de Economia y Competitividad | Ministerio de Educación, Cultura y Deporte | Swedish Research Council | Swedish Research Council Formas | ATTRACT fellowship from the Luxembourg National Research Fund (FNR) | Universitat Jaume I | Ministerio de Ciencia, Innovación y Universidades | Generalitat Valenciana
Código del proyecto o subvención
BES-2016-076914 | FPU15/02033 | 2018-02256 | A18/BM/12341006 | UJI-B2018-19 | UJI-B2018-55 | RTI2018-097417-B-100 | 2019/040
Derechos de acceso
© 2020 American Chemical Society. “This document is the Accepted Manuscript version of a Published Work that appeared in final form in Environmental Science and Technology, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.est.0c05713.”
http://rightsstatements.org/vocab/InC/1.0/
info:eu-repo/semantics/openAccess
http://rightsstatements.org/vocab/InC/1.0/
info:eu-repo/semantics/openAccess
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