Chemical structures are used at every stage in the Database Manager module and can be easily added to corresponding record. A particularly useful feature of Mass Frontier is its ability to create user libraries with structures including isotopes, ions, radicals and optically active compounds. Structures in Database Manager can be used in connection with the Fragments & Mechanism module to check the consistency of a mass spectrum and chemical structure. Database Manager allows you to perform structure elucidation through modification of input structure and regeneration of product fragments.

Structure(s) can be added to Database Manager record in three ways:

1. Opening Structure Editor directly from structure pane and drawing new structure.
   
   
2. Pasting the structure(s).
   
   
3. Loading the structure(s) from an external file.

When dealing with spectral trees structures are associated with nodes and not with entire tree. If you want to add structure to a record that contains a tree please select the appropriate node by clicking on any spectrum in that node. This allows you to assign fragments for product spectra which is very useful for elucidation and database maintenance of CID spectra. The top level node MS¹ holds structural information about neutral compound. Structure displayed in Database Manager is associated with selected node.

You can add structure not only to a spectrum or tree node but also to any peak. To do so click Assign Structure to Any Peak button. New Structure Editor will open and you can draw fragment. After you finish drawing program tries automatically connect your structure with spectral peak according the fragment's m/z value. If you for what ever reason need to connect drawn fragment to different peak just drag the connecting circle with mouse and move it to any other peak. The drawn fragment can be resized.   Please note that structures assigned to spectral peaks are not searchable.