It performs automatic suspect and non-target screening for high resolution mass spectrometry data

Some of the features are

  • Advanced and optimized peaks picking procedure
  • Removal false positive features (due to contaminations or analytical procedural method)
  • Trend analysis (TrendTrAMS) and basic chemometrics (PCA, vocano plot and differential analysis)
  • MS-ready databases
  • Molecular formula evaluation
  • Retention time prediction
  • MS/MS evaluation with both data in/dependent acquisition mode (DDA/DIA)
  • Evaluation of experimental retention time indices
  • Modified and flexible comparison of MS/MS fragments with literature spectra