Communication with ELN (Customization development with Mestrelab).Database management of raw data and analysis results (with Mnova DB).Real-time or batch processing and reporting (with Mnova Gears).Batch or real-time data processing and databasing.Isotope cluster prediction starting from a molecular formula, with different adducts/losses considered.Elemental composition enumeration from high-resolution mass spectrum.Molecular match that automatically matches the expected molecular ion and isotope cluster patterns starting from a molecular structure or MF with different adducts and losses considered.Elemental composition enumeration, molecule match, mol.Automatic peak integration with easy manual correction.Extracted ion chromatograms to locate expected ions.User-defined display templates for easy reporting.Setup of initial display: TIC, mass spec, UV traces, and alignment of traces.PowerPoint-like, multi-page, and multi-document graphical interface.
