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Eliminating Generated Fragments Not Present in Spectrum

The Fragments & Mechanisms module shows all m/z values that have been generated with given Reaction Restrictions settings. If the generated fragments are linked with a spectrum (i.e. the fragments were generated from a still existing Database Manager window which contains the given spectrum) you can eliminate the m/z values that do not have corresponding peaks in the spectrum. Mass Frontier will in some cases generate a large number of theoretically possible fragments with a variety of m/z values. It is, therefore, useful to have displayed only those fragments that can be linked with a spectrum (“explained” peaks).

 

To eliminate m/z values that cannot be linked with peaks in a given spectrum:

  • Click on Show m/z Values For Explained Peaks Only image\ButFragElim.gif button in the Fragments & Mechanisms window.

 

If you eliminate m/z values that do not correspond to a spectrum, these values will not be permanently deleted. While the button is in the down position Mass Frontier removes these values from the tab control or from the combo box depending on the selected settings of the m/z selector (Mechanism Layout dialog box). Reclicking the button to its up position restores the original state and all generated m/z values will again be listed.