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Quantitative profiling of perfluoroalkyl substances by ultrahigh-performance liquid chromatography and hybrid quadrupole time-of-flight mass spectrometry

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dc.contributor.author Picó, Yolanda
dc.contributor.author Farré, Marinella
dc.contributor.author Barceló i Cullerés, Damià
dc.date.issued 2015-01-30
dc.identifier.issn 1618-2642 (versió paper)
dc.identifier.issn 1618-2650 (versió electrònica)
dc.identifier.uri http://hdl.handle.net/10256/12589
dc.description.abstract The accurate determination of perfluoroalkyl substances(PFSAs) in water, sediment, fish, meat, and human milk was achieved by ultrahigh-performance liquid chromatography– quadrupole time-of-flight mass spectrometry (UHPLC–QqTOF-MS) with an ABSciex Triple TOF®. A group of 21 PFSAs was selected as target to evaluate the quantitative possibilities. Full scan MS acquisition data allows quantification at relevant low levels (0.1–50 ng L−1 in water, 0.05–2 ng g−1 in sediments, 0.01–5 ng g−1 in fish and meat, and 0.005–2 ng g−1 in human milk depending on the compound). Automatic information dependent acquisition product ion mass spectrometry (IDA-MS/MS) confirms the identity even for those compounds that presented only one product ion. The preparation of a homemade database using the extracted ion chromatogram (XIC) Manager of the software based upon retention time, accurate mass, isotopic pattern, and MS/MS library searching achieves not only the successful identification of PFSAs but also of some pharmaceuticals, such as acetaminophen, ibuprofen, salicylic acid, and gemfibrozid. Mean recoveries and relative standard deviation (RSD) were 67–99% (9–16% RSD) for water, 62–103 % (8– 18 % RSD) for sediment, 60–95 % (8–17 % RSD) for fish, 64–95 % (8–15 % RSD) for meat, and 63–95 % (8–16 %) for human milk. The quantitative data obtained for 60 samples by UHPLC–QqTOF-MS agree with those obtained by LC–MS/MS with a triple quadrupole (QqQ) cat
dc.description.sponsorship This work has been supported by the SpanishMinistry of Economy and Competitiveness through the projects BAssessing and predicting effects on water quantity and quality in Iberian rivers caused by global change (SCARCE)^ (No. CSD2009-00065, http:// www.scarceconsolider.es) and BEvaluation of emerging contaminants in the Turia River Basins: from basic research to the application of environmental forensics (EMERFOR)^ (GCL2011-29703-C02-02, http://mefturia.es) cat
dc.format.mimetype application/pdf cat
dc.language.iso eng cat
dc.publisher Springer Verlag cat
dc.relation MICINN/PN 2009-2014/CSD2009-00065 cat
dc.relation.isformatof Reproducció digital del document publicat a: http://dx.doi.org/10.1007/s00216-015-8459-y cat
dc.relation.ispartof © Analytical and Bioanalytical Chemistry, 2015, vol. 407, p. 4247-4259 cat
dc.relation.ispartofseries Articles publicats (ICRA) cat
dc.rights Tots els drets reservats cat
dc.subject Medicaments -- Aspectes ambientals cat
dc.subject Drugs -- Environmental aspects cat
dc.subject Cromatografia de líquids cat
dc.subject Liquid chromatography cat
dc.subject Espectrometria de masses cat
dc.subject Mass spectrometry cat
dc.subject Contaminants emergents en l'aigua cat
dc.subject Emerging contaminants in water cat
dc.title Quantitative profiling of perfluoroalkyl substances by ultrahigh-performance liquid chromatography and hybrid quadrupole time-of-flight mass spectrometry cat
dc.type info:eu-repo/semantics/article cat
dc.rights.accessRights info:eu-repo/semantics/closedAccess cat
dc.embargo.terms Cap cat
dc.type.version info:eu-repo/semantics/publishedVersion cat
dc.identifier.doi http://dx.doi.org/10.1007/s00216-015-8459-y
dc.contributor.funder Ministerio de Ciencia e Innovación (Espanya) cat

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