Open source software for PFAS analysis, lipidomics, and more
FluoroMatch provides a fully automated approach compiling all mass spectrometric evidence to discern PFAS homologous series and structures from non-targeted datasets.
Provides interactive visualizations combining mass spectrometric evidence to discern PFAS homologous series and structures from non-targeted datasets.
Use EI and PCI data from GC-HRMS to annotate the spectrum of important PFAS poorly covered by LC.
Link compounds in your dataset using unique identifiers to built-in or user uploaded libraries containing chemical metadata
A fully automated approach compiling all mass spectrometric evidence to discern polymer homologous series and structures from non-targeted datasets.
Covers all steps of the lipidomics workflow including file-conversion, peak picking, blank filtering, annotation, scoring, homologous series detection, combining positive and negative polarity, basic statistics, and interactive visualization of the results.
Provides interactive visualizations combining mass spectrometric evidence to discern lipid homologous series and structures from non-targeted datasets.
Automate relative quantification using any set of lipid standards and LC-MS workflows.
Benchmark your lipid relative quantitation against 31 other laboratories.
Type in a lipid name and calculate its mass and formula on the fly.
A rapid, open-source software, which intakes mzXML files and exports deconvoluted fragmentation spectra in .ms2 format, reconstructing precursor/fragment relationships.
Double your annotations in mass spectrometry experiments by improving MS/MS coverage.