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  "doi": "doi:10.18434/mds2-2905",
  "title": "Database Infrastructure for Mass Spectrometry - Per- and Polyfluoroalkyl Substances",
  "contactPoint": {
    "fn": "Benjamin Place",
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    "Data here contain and describe an open-source structured query language (SQLite) portable database containing high resolution mass spectrometry data (MS1 and MS2) for per- and polyfluorinated alykl substances (PFAS) and associated metadata regarding their measurement techniques, quality assurance metrics, and the samples from which they were produced. These data are stored in a format adhering to the Database Infrastructure for Mass Spectrometry (DIMSpec) project. That project produces and uses databases like this one, providing a complete toolkit for non-targeted analysis. See more information about the full DIMSpec code base - as well as these data for demonstration purposes - at GitHub (https://github.com/usnistgov/dimspec) or view the full User Guide for DIMSpec (https://pages.nist.gov/dimspec/docs).",
    "Files of most interest contained here include the database file itself (dimspec_nist_pfas.sqlite) as well as an entity relationship diagram (ERD.png) and data dictionary (DIMSpec for PFAS_1.0.1.20230615_data_dictionary.json) to elucidate the database structure and assist in interpretation and use."
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      "mediaType": "image/png",
      "format": {
        "description": "Portable Network Graphics (PNG) image file"
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      "mediaType": "application/pdf",
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      "description": "The license for use and reuse accompanying these data.",
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  "annotated": "2023-10-04T12:45:26.882227",
  "revised": "2023-10-04T12:45:26.882227",
  "issued": null,
  "firstIssued": "2023-10-03T01:29:46.878682",
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