Identification and quantification of perfluorooctane sulfonamide isomers by liquid chromatography–tandem mass spectrometry

Shan, Guoqiang; Yang, Liping; Zhao, Jiong‐Peng; Liu, Ning; Cui, Haochen; Zhong, Wenjue; Zhu, Lingyan

doi:10.1016/j.chroma.2019.02.008

Cited by 7 publications

(21 citation statements)

References 33 publications

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“…Referring to the elution order of PFOS isomers, the 2mand 3m-PFHxS isomers should be eluted as A3 peak between the iso-, 1m-, and di-substituted isomers we have identified [32].…”

Section: Chromatographic and Ms/ms Resolution Of Pfhxsmentioning

confidence: 93%

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

Yang

Zhu

Wang

et al. 2022

Journal of Analytical Methods in Chemistry

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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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“…Referring to the elution order of PFOS isomers, the 2mand 3m-PFHxS isomers should be eluted as A3 peak between the iso-, 1m-, and di-substituted isomers we have identified [32].…”

Section: Chromatographic and Ms/ms Resolution Of Pfhxsmentioning

confidence: 93%

“…e mass spectrum of A3 presented multiple fragment ions with m/z 319, 269, 261, 219, 211, 197, 180, 169, 147, 130, 99, 80, etc (Figure 3(a)). e 3(c)) based on the 2m-and 3m-PFOS fragment appointment [32], which were tentatively appointed to 2m-and 3m-PFHxS, respectively (Table 2).…”

Section: Chromatographic and Ms/ms Resolution Of Pfhxsmentioning

confidence: 95%

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

Yang

Zhu

Wang

et al. 2022

Journal of Analytical Methods in Chemistry

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“…The technical products of PFOS (98%, purity) and PFOSA (98%) were purchased from Kasei Kogyo Co. (Tokyo, Japan) and Qinhuangdao Chembright Products Co. (Qinhuangdao, China), respectively. The isomer profiles of the two technical products were measured by liquid chromatography coupled with mass spectrometry (LC-MS) according to the previously reported method . Chromatography-grade acetonitrile was purchased from Dikma Technology Inc. (Beijing, China).…”

Section: Materials and Methodsmentioning

confidence: 99%

“…The isomers of PFOSA and PFOS were analyzed on a Waters Ultra performance liquid chromatography (UPLC) system coupled with a Waters Xevo TQS tandem mass spectrometer (MS/MS) operated in negative electrospray ionization (ESI) mode. The instrumental conditions for identification and quantitation of PFOS and PFOSA isomers were the same as our previous study . Briefly, 10 μL of solution was injected onto a FluoroSep RP Octyl high-performance liquid chromatography (HPLC) column (ES Industries, West Berlin, NJ) at 38 °C.…”

Section: Materials and Methodsmentioning

confidence: 99%

“…As one of the major manufacturing techniques of PFASs, electrochemical fluorination (ECF) generates the PFOS and PreFOSs industrial products comprising of branched carbon-chain skeleton isomers . For example, the ECF PFOS products generally consist of ∼70% linear ( n -) and ∼30% branched isomers ( br -, mainly monomethyl isomers, including iso -, 1 m -, 2 m -, 3 m -, 4 m -, and 5 m -isomers; for details see the Supporting Information [SI]) and one of the representative PreFOSs, PFOSA, also has such a similar isomer pattern . These ECF products would retain their special isomer fingerprints in environmental matrices.…”

Section: Introductionmentioning

confidence: 99%

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Quantitative Estimation of Relative Contributions of Direct and Indirect Exposures to Perfluorooctane Sulfonate in Organisms Using the Isomer Profiling Technique

et al. 2022

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It remains a big challenge to estimate the relative importance of direct vs indirect (via precursors) exposures of animals and humans to perfluorooctane sulfate (PFOS). In this study, fish as a biological model were exposed to PFOS and its typical precursor, perfluorooctane sulfonamide (PFOSA), singly and combined with different ratios in water for 76 days, followed by a 21-day depuration. Isomer-specific kinetic parameters including uptake, elimination, and biotransformation rates as well as bioconcentration factor (BCF) and biotransformation accumulation factor (BTAF) of PFOS were obtained based on single exposures. Single exposure to PFOS or PFOSA led to an opposite change in the % n-PFOS (increase vs decrease) in the fish blood. Based on the obtained kinetic parameters of each isomer, a quantitative model describing the relationship between % n-PFOS in blood and the relative concentration percentage of PFOSA in water was established. As verified by the coexposure tests, the model exhibited a promising performance in quantitative prediction of relative contribution of precursor exposure in water to the body burden of PFOS in fish. Field application of the model suggested that in addition to gill uptake, dietary exposure should be considered to generate more accurate results.

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Spherical mesoporous covalent organic framework as a solid-phase extraction adsorbent for the ultrasensitive determination of sulfonamides in food and water samples by liquid chromatography-tandem mass spectrometry

Wen

Liu

Wang

et al. 2020

Journal of Chromatography A

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Identification and quantification of perfluorooctane sulfonamide isomers by liquid chromatography–tandem mass spectrometry

Cited by 7 publications

References 33 publications

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

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

Quantitative Estimation of Relative Contributions of Direct and Indirect Exposures to Perfluorooctane Sulfonate in Organisms Using the Isomer Profiling Technique

Spherical mesoporous covalent organic framework as a solid-phase extraction adsorbent for the ultrasensitive determination of sulfonamides in food and water samples by liquid chromatography-tandem mass spectrometry

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