Home arrow Fragments & Mechanisms arrow Reaction Restrictions
Reaction Restrictions

Reaction Restrictions can be used to change the default settings of the ionization method and of the basic fragmentation and rearrangement mechanisms. The m/z precision of calculated fragments can be set in the Options | Mass Settings menu item. The isobaric differentiation of calculated fragments can be set in the Resolution Settings

To start the Reaction Restrictions dialog window:

  • Choose the Options | Reaction Restrictions menu item.

 

The Reaction Restrictions window contains six tabs: Knowledge Base, Ionization & Cleavage, H-Rearrangement, Resonance, Additional and Sizes.

 

If you have established restriction settings that you wish to apply frequently to a specific compound class, you can save the current reaction restrictions to a file (*.rrs file extension) by clicking the Save button in the Reaction Restrictions dialog box. When you open a reaction restriction file by clicking the Open button, the dialog window adopts the restrictions saved in the file. You must then press the OK button, to make these restrictions active in Mass Frontier.

 

Note:

All changes in the Reaction Restrictions window take effect after the regeneration of fragments and mechanisms. The existing Fragments & Mechanisms windows are not affected by changes in Reaction Restriction. In addition the changes in the Reaction Restrictions window affect all subsequent generations, unless you restore default settings. Therefore, when changing the settings, keep in mind that the default reaction restrictions should be restored when the changes are no longer needed.