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

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)

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)

© Analytical and Bioanalytical Chemistry, 2015, vol. 407, p. 4247-4259

Springer Verlag

Author: Picó, Yolanda
Farré, Marinella
Barceló i Cullerés, Damià
Date: 2015 January 30
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)
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)
Format: application/pdf
ISSN: 1618-2642 (versió paper)
1618-2650 (versió electrònica)
Document access: http://hdl.handle.net/10256/12589
Language: eng
Publisher: Springer Verlag
Collection: MICINN/PN 2009-2014/CSD2009-00065
Reproducció digital del document publicat a: http://dx.doi.org/10.1007/s00216-015-8459-y
Articles publicats (ICRA)
Is part of: © Analytical and Bioanalytical Chemistry, 2015, vol. 407, p. 4247-4259
Rights: Tots els drets reservats
Subject: Medicaments -- Aspectes ambientals
Drugs -- Environmental aspects
Cromatografia de líquids
Liquid chromatography
Espectrometria de masses
Mass spectrometry
Contaminants emergents en l’aigua
Emerging contaminants in water
Title: Quantitative profiling of perfluoroalkyl substances by ultrahigh-performance liquid chromatography and hybrid quadrupole time-of-flight mass spectrometry
Type: info:eu-repo/semantics/article
Repository: DUGiDocs

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