FluoroMatch for Ion Mobility
The first iteration of FluoroMatch (IM) provides interactive visualizations combining mass spectrometric evidence (CCS, drift time, retention time, and accurate mass) to discern PFAS homologous series and structures from non-targeted datasets. Simply upload your feature table (for example after using Agilent Mass Profiler), the CCS libraries, and homologous series file, select your parameters and run. FluoroMatch IM does CCS matching across 194+ PFAS contained in the CCS library (thank you David Weil, Agilent Technologies!). Results can be opened in FluoroMatch IM Visualizer and visualizations include normalized mass defect plots, retention time versus accurate mass plots, CCS/drift time versus accurate mass plots, 3D plots including retention time, m/z, and drift time, and tables of annotations and metadata. All graphs and tables are interactive and have cross-filtering such that when a user selects a feature or homologous series, all other visuals highlight the feature or series of interest. Check out this page for examples of our interactive datasets generated which can be shared online!
Collaborations: We are excited to publish this work, want to join us? If you have interesting Ion Mobility data for PFAS or if you have CCS libraries you are willing to share, contact us!
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