Use the Fragmentation view on the Database Manager window to create and manage
fragmentation mechanism databases. The Fragmentation view contains a full-featured graphical editor for entering fragmentation reactions that you can store in a database, together with complementary information for the reaction. You can query all the fields of the database, for example: authors, ionization method, or molecular mass. All the library structures from the reactions are also fully searchable.
The Fragmentation Library contains an expert system that automatically extracts a
decomposition mechanism for each fragmentation reaction in the database and determines the compound class range where you can apply the mechanism. This expert system applies database mechanisms to your structure and automatically predicts the fragmentation reactions for a specified compound.
The Mass Frontier application includes approximately 31
000 fragmentation schemes that contain approximately 130
000 individual reactions collected from mass spectrometry literature. The collected mechanisms are stored in the HighChem Fragmentation Library.