Analysis of Specific Perfluorohexane Sulfonate Isomers by Liquid Chromatography-Tandem Mass Spectrometry: Method Development and Application in Source Apportionment

Characterization of perfluorohexane sulfonate (PFHxS) isomers, a chemical proposed for listing under the Stockholm Convention, is important to elucidate its environmental behaviors and sources. Optimized chromatographic separation coupled with monitoring of the characteristic fragments enabled the i...

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Main Authors: Liping Yang, Xin Chen, Lingyan Zhu, Yixin Wang, Guoqiang Shan
Format: Article
Language:English
Published: Wiley 2022-01-01
Series:Journal of Analytical Methods in Chemistry
Online Access:http://dx.doi.org/10.1155/2022/8704754
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author Liping Yang
Xin Chen
Lingyan Zhu
Yixin Wang
Guoqiang Shan
author_facet Liping Yang
Xin Chen
Lingyan Zhu
Yixin Wang
Guoqiang Shan
author_sort Liping Yang
collection DOAJ
description Characterization of perfluorohexane sulfonate (PFHxS) isomers, a chemical proposed for listing under the Stockholm Convention, is important to elucidate its environmental behaviors and sources. Optimized chromatographic separation coupled with monitoring of the characteristic fragments enabled the identification of four mono-substituted and two di-substituted branched PFHxS isomers. The transitions of molecular ions m/z 399 to the fragments m/z 80 (n-), m/z 169 (iso-), m/z 319 (1m-), m/z 80 (2m-), and m/z 180 (3m-) were selected for quantifying the mono-substituted isomers. Method accuracy of the established LC-MS/MS was verified by comparing the results of technical products with those determined by 19F-nuclear magnetic resonance (NMR). The developed method was then used to quantify the isomeric compositions of PFHxS in the perfluorooctane sulfonate (PFOS) industrial products which contained PFHxS as an impurity, as well as in several kinds of water samples, with the limits of detection for all isomers in the range of 4 to 30 pg/L. For the first time, a liquid chromatography-tandem mass spectrometry method was established to separate and quantify the PFHxS isomers. The isomeric profiling of water samples suggested that PFHxS in the waters was mainly due to the direct contamination of PFHxS rather than from PFOS contamination.
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spelling doaj-art-994fb50eb2e04daa9abb0d5b50e3cf532025-08-20T03:37:03ZengWileyJournal of Analytical Methods in Chemistry2090-88732022-01-01202210.1155/2022/8704754Analysis of Specific Perfluorohexane Sulfonate Isomers by Liquid Chromatography-Tandem Mass Spectrometry: Method Development and Application in Source ApportionmentLiping Yang0Xin Chen1Lingyan Zhu2Yixin Wang3Guoqiang Shan4Key Laboratory of Pollution Processes and Environmental CriteriaKey Laboratory of Pollution Processes and Environmental CriteriaKey Laboratory of Pollution Processes and Environmental CriteriaKey Laboratory of Pollution Processes and Environmental CriteriaKey Laboratory of Pollution Processes and Environmental CriteriaCharacterization of perfluorohexane sulfonate (PFHxS) isomers, a chemical proposed for listing under the Stockholm Convention, is important to elucidate its environmental behaviors and sources. Optimized chromatographic separation coupled with monitoring of the characteristic fragments enabled the identification of four mono-substituted and two di-substituted branched PFHxS isomers. The transitions of molecular ions m/z 399 to the fragments m/z 80 (n-), m/z 169 (iso-), m/z 319 (1m-), m/z 80 (2m-), and m/z 180 (3m-) were selected for quantifying the mono-substituted isomers. Method accuracy of the established LC-MS/MS was verified by comparing the results of technical products with those determined by 19F-nuclear magnetic resonance (NMR). The developed method was then used to quantify the isomeric compositions of PFHxS in the perfluorooctane sulfonate (PFOS) industrial products which contained PFHxS as an impurity, as well as in several kinds of water samples, with the limits of detection for all isomers in the range of 4 to 30 pg/L. For the first time, a liquid chromatography-tandem mass spectrometry method was established to separate and quantify the PFHxS isomers. The isomeric profiling of water samples suggested that PFHxS in the waters was mainly due to the direct contamination of PFHxS rather than from PFOS contamination.http://dx.doi.org/10.1155/2022/8704754
spellingShingle Liping Yang
Xin Chen
Lingyan Zhu
Yixin Wang
Guoqiang Shan
Analysis of Specific Perfluorohexane Sulfonate Isomers by Liquid Chromatography-Tandem Mass Spectrometry: Method Development and Application in Source Apportionment
Journal of Analytical Methods in Chemistry
title Analysis of Specific Perfluorohexane Sulfonate Isomers by Liquid Chromatography-Tandem Mass Spectrometry: Method Development and Application in Source Apportionment
title_full Analysis of Specific Perfluorohexane Sulfonate Isomers by Liquid Chromatography-Tandem Mass Spectrometry: Method Development and Application in Source Apportionment
title_fullStr Analysis of Specific Perfluorohexane Sulfonate Isomers by Liquid Chromatography-Tandem Mass Spectrometry: Method Development and Application in Source Apportionment
title_full_unstemmed Analysis of Specific Perfluorohexane Sulfonate Isomers by Liquid Chromatography-Tandem Mass Spectrometry: Method Development and Application in Source Apportionment
title_short Analysis of Specific Perfluorohexane Sulfonate Isomers by Liquid Chromatography-Tandem Mass Spectrometry: Method Development and Application in Source Apportionment
title_sort analysis of specific perfluorohexane sulfonate isomers by liquid chromatography tandem mass spectrometry method development and application in source apportionment
url http://dx.doi.org/10.1155/2022/8704754
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AT lingyanzhu analysisofspecificperfluorohexanesulfonateisomersbyliquidchromatographytandemmassspectrometrymethoddevelopmentandapplicationinsourceapportionment
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