We are glad to announce that we recently released MassMetasite 4.8.0!
Overview:
No more workflow interruptions when the parent peak is missing. Even in challenging scenarios, like poor parent ionization or samples with only adduct ions, MassMetaSite can now complete the workflow. Check out the Fragment editor tool: you now have the option to select and draw your expected substrate fragments. Your changes will be automatically applied during the scoring of MS/MS spectra for the metabolites.
Recommendation level: Suggested
New Features
- Processing of files even when a substrate proton adduct is not available
- Optional manual curation/depiction of substrate fragments prior to processing
Improvements
- Display of chemical structures for compound adducts or neutral losses
- Use of MS/MS scans from metabolites even when no MS/MS scan is available for the substrate
- Reporting of the charge states used for compound area calculation
Get the new release!
You can download the new version at the product page: