A rapid UHPLC-MS/MS method for simultaneous quantitation of 23 perfluoroalkyl substances (PFAS) in estuarine water

Mulabagal, Vanisree; Liu, Lan; Qi, Jingyi; Wilson, Caleb; Hayworth, Joel S.

doi:10.1016/j.talanta.2018.07.053

Cited by 50 publications

(25 citation statements)

References 29 publications

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“…Over 7,500 per-and polyfluoroalkyl substances (PFAS) are compiled in the US EPA's CompTox Chemistry Dashboard ("The PFAS Master List"), 1,2 yet most targeted PFAS analyses cover fewer than 30 compounds [3][4][5] . Rarely screened and replacement PFAS may prove to have similar or higher toxicity compared with traditionally-measured PFAS.…”

Section: Introductionmentioning

confidence: 99%

Toward Comprehensive Per- and Polyfluoroalkyl Substances Annotation Using FluoroMatch Software and Intelligent High-Resolution Tandem Mass Spectrometry Acquisition

et al. 2020

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Thousands of per-and polyfluoroalkyl substances (PFAS) exist in the environment and pose a potential health hazard. Suspect and non-target screening with liquid chromatography (LC) high-resolution tandem mass spectrometry (HRMS/MS) can be used for comprehensive characterization of PFAS. To date no automated open source PFAS data analysis software exists to mine these extensive datasets. We introduce FluoroMatch, which automates file conversion, chromatographic peak picking, blank feature filtering, PFAS annotation based on precursor and fragment masses, and annotation ranking. The software library currently contains ~7,000 PFAS fragmentation patterns based on rules derived from standards and literature and the software This document is the postprint version of an article published in

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Section: Introductionmentioning

confidence: 99%

Toward Comprehensive Per- and Polyfluoroalkyl Substances Annotation Using FluoroMatch Software and Intelligent High-Resolution Tandem Mass Spectrometry Acquisition

et al. 2020

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“…In response to increased regulation of long-chain so-called legacy PFAS [eight or more carbons (C8) in the alkyl chain and no ether bonds], industrial applications have shifted toward short-chain (C4-C7) and ultrashort-chain (C2 and C3) PFAS alternatives, with or without ether bonds (Wang et al 2019;Mulabagal et al 2018). As reported by the Interstate Technology and Regulatory Council (ITRC 2020), alternative PFAS-based chemical replacements are being marketed and some are appearing in the environment (Munoz et al 2019;Gustavsson et al 2018;Hopkins et al 2018;Wang et al 2015b), especially several subclasses of ether-PFASs, including the most well-known F-53B [major component (9-chlorohexadecafluoro-3-oxanonane-1-sulfonic acid) or 9Cl-PF3ONS and minor component (11-chloroeicosafluoro-3-oxaundecane-1-sulfonic acid) or 11Cl-PF3OUdS], Gen-X (hexafluoropropylene oxide dimer acid or HFPO-DA), and ADONA (4,8-dioxa-3H-perfluorononanoic acid) compounds (named in their acid forms).…”

Section: Introductionmentioning

confidence: 99%

Per- and Polyfluoroalkyl Substances Presence, Pathways, and Cycling through Drinking Water and Wastewater Treatment

et al. 2022

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“…Current analytical methods to investigate PFAS contamination or exposure typically target between twenty to forty compounds via gas or liquid chromatography coupled to tandem mass spectrometry (MS/MS) [12][13][14][15][16]. These targeted analyses detect only a subset of a wide range of PFAS, consisting of thousands of variations and isomers of these compounds from variable chain lengths, branching, functional groups and partially fluorinated components and therefore, are generally not able to accurately reflect the actual levels and species of PFAS in a sample [17].…”

Section: Introductionmentioning

confidence: 99%

“Simultaneous targeted and non-targeted analysis of per- and polyfluoroalkyl substances in environmental samples by liquid chromatography-ion mobility-quadrupole time of flight-mass spectrometry and mass defect analysis”

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et al. 2021

Journal of Chromatography A

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Per-and polyfluoroalkyl substances (PFAS) represent a large group of synthetic organic compounds which exhibit unique properties and have been extensively used for consumer and industrial products, resulting in a widespread presence in the environment. Regulation requiring PFAS monitoring has been implemented worldwide due to their potential health and eco-toxicological effects. Targeted methods are commonly used to monitor between twenty to forty PFAS compounds, representing only a small fraction of the number of compounds that may be present. Consequently, there is an increasing interest in complementary non-targeted methods to screen and identify unknown PFAS compounds with the aim to improve knowledge and to generate more accurate models regarding their environmental mobility and persistence.This work details the development of a method that simultaneously provided targeted and nontargeted PFAS analysis. Ultra-high performance liquid chromatography (UHPLC) was coupled to ion mobility-quadrupole time of flight-mass spectrometry (IMS-QTOF-MS) and used to quantify known and screen unknown PFAS in environmental samples collected within the greater Sydney basin (Australia). The method was validated for the quantification of 14 sulfonate-based PFAS, and a non-targeted data analysis workflow was developed using a combination of mass defect analysis with common fragment and neutral loss filtering to identify fluorine-containing species. The optimised method was applied to the environmental samples and enabled the determination of 3-7 compounds from the targeted list and the detection of a further 56-107 untargeted PFAS. This simultaneous analysis reduces the complexity of multiple analyses, and allows for greater interrogation of the full PFAS load in environmental samples.

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A rapid UHPLC-MS/MS method for simultaneous quantitation of 23 perfluoroalkyl substances (PFAS) in estuarine water

Cited by 50 publications

References 29 publications

Toward Comprehensive Per- and Polyfluoroalkyl Substances Annotation Using FluoroMatch Software and Intelligent High-Resolution Tandem Mass Spectrometry Acquisition

Toward Comprehensive Per- and Polyfluoroalkyl Substances Annotation Using FluoroMatch Software and Intelligent High-Resolution Tandem Mass Spectrometry Acquisition

Per- and Polyfluoroalkyl Substances Presence, Pathways, and Cycling through Drinking Water and Wastewater Treatment

“Simultaneous targeted and non-targeted analysis of per- and polyfluoroalkyl substances in environmental samples by liquid chromatography-ion mobility-quadrupole time of flight-mass spectrometry and mass defect analysis”

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