{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Joseph KM"],"funding":["Intramural NIH HHS","NIEHS NIH HHS","Fonds National de la Recherche Luxembourg (National Research Fund)","U.S. Environmental Protection Agency (US Environmental Protection Agency)"],"pagination":["150"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11763048"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["12(1)"],"pubmed_abstract":["As the occurrence of human diseases and conditions increase, questions continue to arise about their linkages to chemical exposure, especially for per-and polyfluoroalkyl substances (PFAS). Currently, many chemicals of concern have limited experimental information available for their use in analytical assessments. Here, we aim to increase this knowledge by providing the scientific community with multidimensional characteristics for 175 PFAS and their resulting 281 ion types. Using a platform coupling reversed-phase liquid chromatography (RPLC), electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI), drift tube ion mobility spectrometry (IMS), and mass spectrometry (MS), the retention times, collision cross section (CCS) values, and m/z ratios were determined for a"],"journal":["Scientific data"],"pubmed_title":["Multidimensional library for the improved identification of per- and polyfluoroalkyl substances (PFAS)."],"pmcid":["PMC11763048"],"funding_grant_id":["P42 ES027704","ZIC ES103363","A18/BM/12341006","STAR RD 84003201"],"pubmed_authors":["Dodds JN","Kirkwood-Donelson KI","Bolton EE","Zhang J","Sapozhnikova Y","Thiessen PA","Schymanski EL","Ryan JP","Baker ES","Joseph KM","Boatman AK","Rusyn I","Valdiviezo A"],"additional_accession":[]},"is_claimable":false,"name":"Multidimensional library for the improved identification of per- and polyfluoroalkyl substances (PFAS).","description":"As the occurrence of human diseases and conditions increase, questions continue to arise about their linkages to chemical exposure, especially for per-and polyfluoroalkyl substances (PFAS). Currently, many chemicals of concern have limited experimental information available for their use in analytical assessments. Here, we aim to increase this knowledge by providing the scientific community with multidimensional characteristics for 175 PFAS and their resulting 281 ion types. Using a platform coupling reversed-phase liquid chromatography (RPLC), electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI), drift tube ion mobility spectrometry (IMS), and mass spectrometry (MS), the retention times, collision cross section (CCS) values, and m/z ratios were determined for a","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Jan","modification":"2025-04-21T23:51:53.768Z","creation":"2025-04-05T19:23:21.818Z"},"accession":"S-EPMC11763048","cross_references":{"pubmed":["39863618"],"doi":["10.1038/s41597-024-04363-0"]}}