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Practical application guide for the discovery of novel PFAS in environmental samples using high resolution mass spectrometry

Journal of Exposure Science & Environmental Epidemiology volume 33, pages 575–588 (2023)Cite this article

Abstract

Background

The intersection of the topics of high-resolution mass spectrometry (HRMS) and per- and polyfluoroalkyl substances (PFAS) bring together two disparate and complex subjects. Recently non-targeted analysis (NTA) for the discovery of novel PFAS in environmental and biological media has been shown to be valuable in multiple applications. Classical targeted analysis for PFAS using LC-MS/MS, though growing in compound coverage, is still unable to inform a holistic understanding of the PFAS burden in most samples. NTA fills at least a portion of this data gap.

Objectives

Entrance into the study of novel PFAS discovery requires identification techniques such as HRMS (e.g., QTOF and Orbitrap) instrumentation. This requires practical knowledge of best approaches depending on the purpose of the analyses. The utility of HRMS applications for PFAS discovery is unquestioned and will likely play a significant role in many future environmental and human exposure studies.

Methods/Results

PFAS have some characteristics that make them standout from most other chemicals present in samples. Through a series of tell-tale PFAS characteristics (e.g., characteristic mass defect range, homologous series and characteristic fragmentation patterns), and case studies different approaches and remaining challenges are demonstrated.

Impact statement

The identification of novel PFAS via non-targeted analysis using high resolution mass spectrometry is an important and difficult endeavor. This synopsis document will hopefully make current and future efforts on this topic easier to perform for novice and experienced alike. The typical time devoted to NTA PFAS investigations (weeks to months or more) may benefit from these practical steps employed.

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Data availability

There is no specific data available this effort. Any data available would be through the referenced work.

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Acknowledgements

We thank K. Miller, H. Liberatore, G. Hagler, K. Oshima, M. Medina-Vera and E. Trentacoste for helpful comments and suggestions during the drafting of this manuscript. It has been subjected to the EPA’s administrative review and approved for publication. Mention of trade names or commercial products does not constitute endorsement or recommendation for use. The views expressed in this article are those of the authors and do not necessarily represent the views or policies of the EPA.

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Authors and Affiliations

  1. USEPA Office of Research and Development Center for Environmental Measurement and Modeling, Durham, NC and Athens, GA, USA

    Mark Strynar, James McCord, Seth Newton & John Washington

  2. Elmira College, Elmira, NY, USA

    Krista Barzen-Hanson

  3. Section of Environmental Chemistry and Physics, Department of Plant and Environmental Sciences (PLEN), University of Copenhagen, Thorvaldsensvej 40, DK-1871, Frederiksberg, Denmark

    Xenia Trier

  4. State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, 100085, Beijing, China

    Yanna Liu

  5. Ateneo de Manila University, Loyola Heights, Quezon City, Philippines

    Ian Ken Dimzon

  6. Environmental Analytical Chemistry, Department of Geosciences, University of Tübingen, Schnarrenbergstr. 94-96, 72076, Tübingen, Germany

    Boris Bugsel & Christian Zwiener

  7. Université de Montréal, Montreal, QC, H3C 3J7, Canada

    Gabriel Munoz

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Contributions

MS conceived this idea of this manuscript and invited other authors to participate. The initial draft was created by MS, who also served as the lead and corresponding author. The remaining authors (JM, SN, JW, KB-H, XT, YL, IKD, BB, CZ, GM) all contributed to the writing effort in an iterative method of drafts and revisions. Figures and Tables were mainly created by MS, JM, CZ and BB but contributed to by all.

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Correspondence to Mark Strynar.

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Strynar, M., McCord, J., Newton, S. et al. Practical application guide for the discovery of novel PFAS in environmental samples using high resolution mass spectrometry. J Expo Sci Environ Epidemiol 33, 575–588 (2023). https://doi.org/10.1038/s41370-023-00578-2

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