Paul K. Wojtal, Brett Davidheiser-Kroll, Chad S. Lane, Ralph N. Mead
{"title":"微流-高压液相色谱-轨道阱质谱法分析全氟辛酸（PFOA）的稳定碳同位素","authors":"Paul K. Wojtal, Brett Davidheiser-Kroll, Chad S. Lane, Ralph N. Mead","doi":"10.1002/rcm.10139","DOIUrl":null,"url":null,"abstract":"<div>\n \n \n <section>\n \n <h3> Rationale</h3>\n \n <p>As contamination of perfluoroalkyl and polyfluoroalkyl substances (PFAS) in the environment becomes better understood, it is increasingly important to develop forensic tools capable of tracing contamination to emission sources. Isotopic methods have been previously inaccessible for PFAS due to limitations of the instrumentation, but high-pressure liquid chromatography (HPLC) coupled to Orbitrap mass spectrometry (Orbitrap MS) through electrospray ionization (ESI) allows measurement of the isotopic composition of individual PFAS compounds, such as perfluorooctanoic acid (PFOA).</p>\n </section>\n \n <section>\n \n <h3> Methods</h3>\n \n <p>Six separate supplier-procured powders of PFOA were analyzed for their <i>δ</i><sup>13</sup>C isotopic composition by microflow-HPLC-ESI-Orbitrap MS.</p>\n </section>\n \n <section>\n \n <h3> Results</h3>\n \n <p>The method presented replicated, within error, the <i>δ</i><sup>13</sup>C values measured using an elemental analyzer-isotope ratio mass spectrometer (EA-IRMS) for the six different supplier-procured PFOA powders. The offset from the EA-IRMS values for repeated analysis was between 0.2‰ and 1.1‰ and the error was between 0.8‰ and 1.5‰. Our Orbitrap-MS method requires approximately 0.04% of the material required to make an EA-IRMS measurement.</p>\n </section>\n \n <section>\n \n <h3> Conclusions</h3>\n \n <p>We developed a method capable of measuring the carbon isotopic composition of PFOA, using HPLC-Orbitrap MS, with high precision and accuracy. This will allow future research to expand analytical capabilities for additional isotopologues of PFOA and other PFAS compounds.</p>\n </section>\n </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 24","pages":""},"PeriodicalIF":1.7000,"publicationDate":"2025-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.10139","citationCount":"0","resultStr":"{\"title\":\"Stable Carbon Isotope Analysis of Perfluorooctanoic Acid (PFOA) by Microflow-High Pressure Liquid Chromatography-Orbitrap Mass Spectrometry\",\"authors\":\"Paul K. Wojtal, Brett Davidheiser-Kroll, Chad S. Lane, Ralph N. Mead\",\"doi\":\"10.1002/rcm.10139\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div>\\n \\n \\n <section>\\n \\n <h3> Rationale</h3>\\n \\n <p>As contamination of perfluoroalkyl and polyfluoroalkyl substances (PFAS) in the environment becomes better understood, it is increasingly important to develop forensic tools capable of tracing contamination to emission sources. Isotopic methods have been previously inaccessible for PFAS due to limitations of the instrumentation, but high-pressure liquid chromatography (HPLC) coupled to Orbitrap mass spectrometry (Orbitrap MS) through electrospray ionization (ESI) allows measurement of the isotopic composition of individual PFAS compounds, such as perfluorooctanoic acid (PFOA).</p>\\n </section>\\n \\n <section>\\n \\n <h3> Methods</h3>\\n \\n <p>Six separate supplier-procured powders of PFOA were analyzed for their <i>δ</i><sup>13</sup>C isotopic composition by microflow-HPLC-ESI-Orbitrap MS.</p>\\n </section>\\n \\n <section>\\n \\n <h3> Results</h3>\\n \\n <p>The method presented replicated, within error, the <i>δ</i><sup>13</sup>C values measured using an elemental analyzer-isotope ratio mass spectrometer (EA-IRMS) for the six different supplier-procured PFOA powders. The offset from the EA-IRMS values for repeated analysis was between 0.2‰ and 1.1‰ and the error was between 0.8‰ and 1.5‰. Our Orbitrap-MS method requires approximately 0.04% of the material required to make an EA-IRMS measurement.</p>\\n </section>\\n \\n <section>\\n \\n <h3> Conclusions</h3>\\n \\n <p>We developed a method capable of measuring the carbon isotopic composition of PFOA, using HPLC-Orbitrap MS, with high precision and accuracy. This will allow future research to expand analytical capabilities for additional isotopologues of PFOA and other PFAS compounds.</p>\\n </section>\\n </div>\",\"PeriodicalId\":225,\"journal\":{\"name\":\"Rapid Communications in Mass Spectrometry\",\"volume\":\"39 24\",\"pages\":\"\"},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2025-09-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.10139\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Rapid Communications in Mass Spectrometry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/rcm.10139\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"BIOCHEMICAL RESEARCH METHODS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Rapid Communications in Mass Spectrometry","FirstCategoryId":"92","ListUrlMain":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/rcm.10139","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
Stable Carbon Isotope Analysis of Perfluorooctanoic Acid (PFOA) by Microflow-High Pressure Liquid Chromatography-Orbitrap Mass Spectrometry
Rationale
As contamination of perfluoroalkyl and polyfluoroalkyl substances (PFAS) in the environment becomes better understood, it is increasingly important to develop forensic tools capable of tracing contamination to emission sources. Isotopic methods have been previously inaccessible for PFAS due to limitations of the instrumentation, but high-pressure liquid chromatography (HPLC) coupled to Orbitrap mass spectrometry (Orbitrap MS) through electrospray ionization (ESI) allows measurement of the isotopic composition of individual PFAS compounds, such as perfluorooctanoic acid (PFOA).
Methods
Six separate supplier-procured powders of PFOA were analyzed for their δ13C isotopic composition by microflow-HPLC-ESI-Orbitrap MS.
Results
The method presented replicated, within error, the δ13C values measured using an elemental analyzer-isotope ratio mass spectrometer (EA-IRMS) for the six different supplier-procured PFOA powders. The offset from the EA-IRMS values for repeated analysis was between 0.2‰ and 1.1‰ and the error was between 0.8‰ and 1.5‰. Our Orbitrap-MS method requires approximately 0.04% of the material required to make an EA-IRMS measurement.
Conclusions
We developed a method capable of measuring the carbon isotopic composition of PFOA, using HPLC-Orbitrap MS, with high precision and accuracy. This will allow future research to expand analytical capabilities for additional isotopologues of PFOA and other PFAS compounds.
期刊介绍：
Rapid Communications in Mass Spectrometry is a journal whose aim is the rapid publication of original research results and ideas on all aspects of the science of gas-phase ions; it covers all the associated scientific disciplines. There is no formal limit on paper length ("rapid" is not synonymous with "brief"), but papers should be of a length that is commensurate with the importance and complexity of the results being reported. Contributions may be theoretical or practical in nature; they may deal with methods, techniques and applications, or with the interpretation of results; they may cover any area in science that depends directly on measurements made upon gaseous ions or that is associated with such measurements.
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