A table of known interferences for per- and polyfluoroalkyl substances using mass spectrometry.

Dataset for "Gaines LGT, Sinclair G, Williams AJ. A proposed approach to defining per- and polyfluoroalkyl substances (PFAS) based on molecular structure and formula. Integr Environ Assess Manag. 2023 Jan 11. doi: 10.1002/ieam.4735. Epub ahead of print. PMID: 36628931". This dataset is associated with the following publication: Gaines, L., G. Sinclair, and A. Williams. A proposed approach to defining per- and polyfluoroalkyl substances (PFAS) based on molecular structure and formula. Integrated Environmental Assessment and Management. Allen Press, Inc., Lawrence, KS, USA, 19(5): 1333-1347, (2023).

A list of structures (and other identifiers) of possible per- and polyfluoroalkyl substances (PFAS). The data provided in the PFAS Suspect List has been aggregated from public sources and users, including peer-reviewed literature, patent literature, and public websites. Therefore, the quality and accuracy of the compound names, structures, and other properties have not been validated. The National Institute of Standards & Technology does not endorse or provide any assessment of confidence with the information provided.

Supporting information for the NIST Internal Report entitled: Per- and Polyfluoroalkyl Substances - Non-Targeted Analysis Interlaboratory Study Final Report. The files include four comma-separated value (CSV) text files, three of the CSV text files contain summary tables of all per and polyfluoroalkyl substances (PFAS) detected in the three test samples from the interlaboratory report (sample_a_table.csv, sample_b_table.csv, sample_c_table.csv) including the individual laboratory reported identities and their associated identification confidence levels. The final CSV text file, all_pfas_table.csv, contains a summary of all PFAS detected in all of the samples and the highest level of confidence reported in each of the three test samples. These files are meant to supplement the abbreviated tables presented in the Final Report that reported the top 20 PFAS in each of the three test samples. These tables were produced through the analysis of the individual laboratory results and aggregation of the results by the reported PFAS identity.The Microsoft Excel file, PFASNTAILS_Reporting Form.xlsx, is the example form that was used by all participating laboratories to report their results. It is provided to provide readers of the interlaboratory report with context to the information that was provided by each laboratory.

Datafiles in TXT file formats listing PFAS chemicals and a list of all PFAS Chemical Lists publicly available on the CompTox Chemicals Dashboard. This dataset is associated with the following publication: Williams, A., L. Gaines, C. Grulke, C. Lowe, G. Sinclair, V. Samano, I. Thillainadarajah, B. Meyer, G. Patlewicz, and A. Richard. Assembly and Curation of Lists of Per- and Polyfluoroalkyl Substances (PFAS) to Support Environmental Science Research. Frontiers in Environmental Science. Frontiers, Lausanne, SWITZERLAND, 10: 850019, (2022).

Samples were collected for a comparison method development study with the University of Minnesota and the U.S. Geological Survey (USGS) National Water Quality Laboratory (NWQL) in Lakewood, Colorado. Widely used liquid chromatography-tandem mass spectrometry (LC-MS/MS) methods fail to capture large fractions of total organofluorine in environmental samples confounding the assessment and remediation of fluorinated pollution. Fluorine nuclear magnetic resonance (19F-NMR) is an inclusive method for organofluorine analysis that preserves chemical information about chemical compound classes of organofluorine.

This research effort represents our initial method development research for soil gas, sewer gas, and indoor air samples for PFAS analyses as related to vapor intrusion. The product and associated subsequent products will be consistently updated leading to a constantly expanding database incorporating additional experiments.

In the current study, soils obtained from a collaboration with a fluorotelomer-based polymer manufacturing facility in New Jersey, USA were subjected to both targeted and non-targeted analysis of PFCA precursors. Surface soil samples were screened for twenty-two volatile PFAS precursors using GC-positive chemical ionization (PCI)-MS (targeted) including eight nFTOHs, four secondary FTOHs (sFTOHs), six FT-acrylates (FT-Acrs) and four FT-acetates (Table S1) as well as the concentrations of their terminal transformation products (i.e., PFCAs, n=16) determined by LC-MS/MS. Targeted analysis confirmed the presence of these series, specifically the nFTOHs, and non-targeted analysis highlighted additional known and novel industrial manufacturing by-products likely unintentionally produced during the FT-polymerization process. This dataset is associated with the following publication: Henderson, W., M. Evich, J. Washington, T. Ward, B. Schumacher, J. Zimmerman, Y. Kim, E. Weber, A. Williams, M. Smeltz, and D. Glinski. Analysis of Legacy and Novel Neutral Per- and Polyfluoroalkyl Substances in Soils from an Industrial Manufacturing Facility. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 58(24): 10729–10739, (2024).

Data belongs to Detlef Knappe's research group at North Carolina State University, as this study was that of PhD students and postdoctoral researches from his laboratory. This dataset is not publicly accessible because: Non-EPA generated data. It can be accessed through the following means: Non-EPA generated data. Format: Non-EPA generated data. This dataset is associated with the following publication: Liberatore, H., A. McElroy, C. Zhang, N.L. Alexander, and D. Knappe. Stability of Per- and Polyfluoroalkyl Substances in Solvents Relevant to Environmental and Toxicological Analysis. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. American Chemical Society, Washington, DC, USA, na, (2021).