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
