GNPS FlouroMatch Modular and FlouroMatch Flow Software v2.3

Updated software that allows you to generate your own MS/MS spectra based on fragmentation rules or simply use the default 7000+ MS/MS spectra for annotation and processing of your non-targeted PFAS LC-HRMS/MS data. Contains three software: FluoroMatch Generator can be used to generate MS/MS spectra based on class/type specific fragmentation rules and SMILES strings indicating repeating units. For FluoroMatch Flow simply drag the correctly named vendor files onto the interface, select an output directory, and click Run. Performs file conversion, peak picking, blank filtering, identification, and combining positive and negative mode data. FluoroMatch Modular can be used to annotate PFAS from feature tables generated by user's upstream data-processing strategies. Data-dependent, targeted MS/MS, and/or AIF (Thermo only) scans are required for annotation. FlouroMatch Modular is compatible only with Negative mode data.