PolyMatch provides a fully automated approach compiling all mass spectrometric evidence (e.g., retention time, isotopic pattern, fragmentation, and accurate mass) to discern polymer (fatty acid and PEG substituted polysorbates, polysorbides, PEGs, methylated PEGs, etc.) homologous series and structures from non-targeted datasets. For PolyMatch Flow simply drag the correctly named vendor files onto the interface, select an output directory, and click Run. PolyMatch Flow performs file conversion, peak picking, blank filtering, identification, homologous series detection, scoring, and generating visualizer files. PolyMatch Modular can be used to annotate PFAS from feature tables generated by user's upstream data-processing strategies. Results can be opened up in FluoroMatch Visualizer and visualizations include normalized mass defect plots, retention time versus accurate mass plots, MS/MS fragmentation spectra, MS1 spectra, EICs, statistical visualization (PCA, Volcano Plots, Violin Plots, etc.) and tables of annotations and metadata. All graphs and tables are interactive and have cross-filtering such that when a user selects a feature, all other visuals highlight the feature of interest.
Please read and agree to the following license for dependencies before downloading (also cite the following projects):
Free software is great! But integrating and developing an entire lipidomics workflow which best uses your resources and team's expertise is not easy. How can you best make use of the technologies available and comprehensively and accurately report lipid values in your lab or to your customers? Contact us to speak to an expert and see if we have the training or services to take your research to the next level.