Fluorine measurements for target PFAS and PFAS mixtures, fluorine mass balance calculations, non-targeted compound abundances. This dataset is not publicly accessible because: All data not included in the manuscript supplemental information is property of Harvard University. It can be accessed through the following means: Contact: Elsie Sunderland (ems@seas.harvard.edu). Format: Manuscript supplemental information contains tables of outputs of various assays in terms of concentrations. This dataset is associated with the following publication: Ruyle, B.J., C.P. Thackray, J. McCord, M. Strynar, K.A. Mauge-Lewis, S.E. Fenton, and E.M. Sunderland. Reconstructing the Composition of Per- and Polyfluoroalkyl Substances in Contemporary Aqueous Film-Forming Foams. Environmental Science & Technology Letters. American Chemical Society, Washington, DC, USA, 8(1): 59-65, (2021).

Data for "Koelmel JP, Stelben P, McDonough CA, Dukes DA, Aristizabal-Henao JJ, Nason SL, Li Y, Sternberg S, Lin E, Beckmann M, Williams AJ, Draper J, Finch JP, Munk JK, Deigl C, Rennie EE, Bowden JA, Godri Pollitt KJ. FluoroMatch 2.0-making automated and comprehensive non-targeted PFAS annotation a reality. Anal Bioanal Chem. 2022 Jan;414(3):1201-1215. doi: 10.1007/s00216-021-03392-7. Epub 2021 May 20. PMID: 34014358.". Portions of this dataset are inaccessible because: The link provided by UCSD doesn't seem to be working. They can be accessed through the following means: Contact Jeremy Koelmel at Yale University, jeremykoelmel@innovativeomics.com. Format: The final annotated excel sheets with feature intensities, annotations, homologous series groupings, etc., are available as a supplemental excel file with the online version of this manuscript. The raw Agilent “.d” files can be downloaded at: ftp://massive.ucsd.edu/MSV000086811/updates/2021-02-05_jeremykoelmel_e5b21166/raw/McDonough_AFFF_3M_ddMS2_Neg.zip (Note use Google Chrome or Firefox, Microsoft Edge and certain other browsers are unable to download from an ftp link). This dataset is associated with the following publication: Koelmel, J.P., P. Stelben, C.A. McDonough, D.A. Dukes, J.J. Aristizabal-Henao, S.L. Nason, Y. Li, S. Sternberg, E. Lin, M. Beckmann, A. Williams, J. Draper, J. Finch, J.K. Munk, C. Deigl, E. Rennie, J.A. Bowden, and K.J. Godri Pollitt. FluoroMatch 2.0—making automated and comprehensive non-targeted PFAS annotation a reality. Analytical and Bioanalytical Chemistry. Springer, New York, NY, USA, 414(3): 1201-1215, (2022).

CIMS calibration curves for the FTOHs and other PFAS for which standards were available. PFOA signals during calibrations and sampling. CIMS unit mass resolution difference mass spectrum for one commercial sample. Molecular composition assignment isotopic distributions. and a. This dataset is associated with the following publication: Riedel, T., J. Lang, M. Strynar, A. Lindstrom, and J. Offenberg. Gas-Phase Detection of Fluorotelomer Alcohols and Other Oxygenated Per- and Polyfluoroalkyl Substances by Chemical Ionization Mass Spectrometry. Environmental Science & Technology Letters. American Chemical Society, Washington, DC, USA, 6(5): 289-293, (2019).

Screening library of detectable PFAS ions, results from identified PFAS from suspect screening of AFFF materials on the market. This dataset is not publicly accessible because: Data Property of Texas A&M University. It can be accessed through the following means: Contact Ivan Rusyn . Format: Excel. This dataset is associated with the following publication: Luo, Y., N.A. Aly, J. McCord, M. Strynar, W.A. Chiu, J.N. Dodds, E.S. Baker, and I. Rusyn. Rapid Characterization of Emerging Per- and Polyfluoroalkyl Substances in Aqueous Film-Forming Foams Using Ion Mobility Spectrometry–Mass Spectrometry. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 54(23): 15024–15034, (2020).

Screening library of detectable PFAS ions, results from identified PFAS from suspect screening of AFFF materials on the market. This dataset is not publicly accessible because: Data Property of Texas A&M University. It can be accessed through the following means: Contact Ivan Rusyn . Format: Excel. This dataset is associated with the following publication: Luo, Y., N.A. Aly, J. McCord, M. Strynar, W.A. Chiu, J.N. Dodds, E.S. Baker, and I. Rusyn. Rapid Characterization of Emerging Per- and Polyfluoroalkyl Substances in Aqueous Film-Forming Foams Using Ion Mobility Spectrometry–Mass Spectrometry. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 54(23): 15024–15034, (2020).

Chemical ionization mass spectrometry data from thermal treatment of PFOA in EPA's pilot scale Rainbow furnace. Definitions of variables included in dataset. This dataset is associated with the following publication: Rocchio, C., J. Mattila, S. Sharma, J. Krug, G. Kogekar, W. Roberson, J. Offenberg, K. Pennell, W. Linak, and C.F. Goldsmith. Incineration of Perfluorooctanoic Acid Leads to Regeneration of Smaller Perfluorocarboxylic Acids. JOURNAL OF PHYSICAL CHEMISTRY A. American Chemical Society, Washington, DC, USA, 129(35): 8160–8169, (2025).

Data were generated at the University of Florida. This dataset is not publicly accessible because: Data are not owned by EPA/ORD. It can be accessed through the following means: contact the study lead Dr. Timothy Townsend (ttown@ufl.edu). Format: Data were generated at the University of Florida. This dataset is associated with the following publication: Thompson, J., N. Robey, T. Tolaymat, J. Bowden, H.M. Solo-Gabriele, and T. Townsend. Underestimation of Per- and Polyfluoroalkyl Substances in Biosolids: Precursor Transformation During Conventional Treatment. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 57(9): 3825-3832, (2023).

Per- and polyfluoroalkyl substances (PFAS) are environmental contaminants of emerging concern. The temperature dependent gas-solid reaction of four gas-phase PFAS compounds (fluorotelomer alcohols or FTOHS) with calcium oxide is examined. This reaction shows potential as a PFAS disposal method that forms a stable and environmentally friendly end product, calcium fluoride. In addition to monitoring the destruction of the primary PFAS compound, byproducts of the thermal treatment reaction are identified and monitored to determine whether such products of incomplete destruction, which could also be a source of PFAS in the environment, are removed during the treatment process. This dataset is associated with the following publication: Riedel, T., A. Wallace, E. Shields, J. Ryan, C. Lee, and B. Linak. Low Temperature Thermal Treatment of Gas-Phase Fluorotelomer Alcohols by Calcium Oxide. CHEMOSPHERE. Elsevier Science Ltd, New York, NY, USA, 272: 0, (2021).

Raw data (peak area and height, retention time) for each for each sample and 21 PFAS analytes. The targeted triplicate samples are MB_11A, MB_11B, and MB_11C at time points 0 min, 30 min, 2 hr, 4 hr, and 24 hr. Raw data (masses and peak areas) for non-targeted analysis of resin extracts. This dataset is associated with the following publication: Manning, I.M., N. Guan Pin Chew, H.P. Macdonald, K. Miller, M. Strynar, O. Coronell, and F.A. Leibfarth. Hydrolytically Stable Ionic Fluorogels for High-Performance Remediation of Per- and Polyfluoroalkyl Substances (PFAS) from Natural Water. Angewandte Chemie. John Wiley & Sons, Inc., Hoboken, NJ, USA, 61(41): e202208150, (2022).