All the pertinent information for recreation of the published (hopefully) tables and figures. This dataset is associated with the following publication: Newton, S., R. McMahen, J. Stoeckel, M. Chislock, A. Lindstrom, and M. Strynar. Novel Polyfluorinated Compounds Identified Using High Resolution Mass Spectrometry Downstream of Manufacturing Facilities near Decatur, Alabama. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 51(3): 1544-1552, (2017).

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).

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).

Zipped UCMR3 data. This dataset is associated with the following publication: HU, X., D. Andrews, T. Bruton, A. Lindstrom, L. Schaider, P. Grandjean, R. Lohmann, C. Carignan, A. Blum, S. Balan, E. Sunderland, and C. Higgins. Detection of Poly- and Perfluoroalkyl Substances (PFASs) in U.S. Dinking Water: Linked to Industrial Sites, Military fire Training Areas and Wastewater Treatment Plants. Environmental Science & Technology Letters. American Chemical Society, Washington, DC, USA, 3(0): 344-350, (2017).

Zipped UCMR3 data. This dataset is associated with the following publication: HU, X., D. Andrews, T. Bruton, A. Lindstrom, L. Schaider, P. Grandjean, R. Lohmann, C. Carignan, A. Blum, S. Balan, E. Sunderland, and C. Higgins. Detection of Poly- and Perfluoroalkyl Substances (PFASs) in U.S. Dinking Water: Linked to Industrial Sites, Military fire Training Areas and Wastewater Treatment Plants. Environmental Science & Technology Letters. American Chemical Society, Washington, DC, USA, 3(0): 344-350, (2017).

Supporting Info. This dataset is associated with the following publication: Washington , J., and T. Jenkins. Abiotic Hydrolysis of Fluorotelomer-Based Polymers as a Source of Perfluorocarboxylates at the Global Scale. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 49(24): 14129-14135, (2015).

Supporting Info. This dataset is associated with the following publication: Washington , J., and T. Jenkins. Abiotic Hydrolysis of Fluorotelomer-Based Polymers as a Source of Perfluorocarboxylates at the Global Scale. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 49(24): 14129-14135, (2015).

This dataset includes spreadsheets containing raw data that were used to create the figures and tables in the publication. Target responses, retention times, and calculations associated with mass spectrometry analyses of Other Test Method 50 canister standards and samples are included. These data were used to construct calibration curves and to calculate percent recoveries and biases of target compounds in the presence of high carbon dioxide (CO2) levels. The dataset also include calculations of average concentrations, standard deviations, relative standard deviations, and percent recoveries for replicate injections to calculate method detection limits (MDLs) and to evaluate percent increases and in sample concentrations by analyzing samples using different thermal desorption method parameters. The data also include an evaluation of method precision, including averages, relative standard deviations, and percent differences between canister samples collected in the absence and presence of high CO2 levels. This dataset is associated with the following publication: Wallace, A., S. Jackson, B. Preston, L. Miles, H. Calder, S. Davies, and M. Cumbes. Overcoming analytical challenges of Other Test Method 50: Analysis of volatile fluorinated compounds in passivated canisters from stationary source emissions. JOURNAL OF CHROMATOGRAPHY A. Elsevier Science Ltd, New York, NY, USA, 1759: 1, (2025).