GNPS - Data for Multidimensional Library for the Improved Identification of Per- and Polyfluoroalkyl Substances (PFAS)

Data used in the creation of the Baker Lab PFAS LC-IMS-MS Skyline Library as of 10/2024. Includes reversed-phase liquid chromatography retention times, collision cross section (CCS) values, and m/z ratios for 174 PFAS and their resulting 280 ion types in positive and negative modes with electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) sources. To use, please select the sheet which most accurately reflects your ionization method and mode, then copy and paste columns B-G, including column headers listed in row 4.