The Fragmentation Library™ module allows the creation and management of fragmentation mechanism databases. This module contains a full-featured graphical editor for entering fragmentation reactions, which can be stored in a database, together with complementary information for the reaction. All the fields of the database can be queried, for example: authors, ionization method, or mass analyzer. All the library structures from the reactions are also fully searchable.

This module contains an expert system that automatically extracts a decomposition mechanism for each fragmentation reaction in the database and determines the compound class range that the mechanism can be applied to. Mass Frontier uses this expert system to apply database mechanisms to a user provided structure and automatically predicts the fragmentation reactions for a given compound.

The current version of Mass Frontier comes complete with almost 5,000 fragmentation schemes that contain around 19,000 reactions collected from mass spectrometry literature. The collected mechanisms are stored in the HighChem database that automatically appears when the Fragmentation Library module is opened.

HighChem Fragmentation Library™ and Fragmentation Library™ are trademarks of HighChem, Ltd., Slovak Republic