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*   Marking Fragments
You can use the generated fragments for fragment comparison of different structures or for export to an Excel spreadsheet. The automated generator can predict a large number of theoretically possible fragments. To extract only selected fragments for use during further processing, mark fragments (m/z values) that should be either considered or ignored.
The fragment marks apply to bar code spectra, the Fragments Comparator window, and copying to an Excel spreadsheet.
For additional information, see Bar Code Spectra or Comparing Fragments.
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To mark an m/z value using the toolbar buttons
Select the tab for the m/z value and click one of the following buttons:
The Set mark has the highest priority. When any m/z values are marked Set, only these values are considered.
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To mark an m/z value using the check boxes in the m/z list
1.
Click the check box for an m/z value in the m/z list until it displays the correct state.
The check box can have one of three states:
2.
To mark all the m/z values as Default, click the Default button, ,
at the bottom of the list.
Note  Changes you make to marks are instantly reflected in the Bar Code spectrum. After you send or copy a list of fragments with specific marks to the Fragments Comparator, the application ignores all subsequent changes. The same applies for a fragment list copied to an Excel spreadsheet. For additional information, see Comparing Fragments.


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Related Topics:
  Linking Generated Fragments with a Spectrum
  Eliminating Generated Fragments Not Present in a Spectrum
  Simulating Fragmentation Processes in MS/MS Experiments
  Unexplained Peaks
  Bar Code Spectra
  Specifying Precision and Isobaric Differentiation
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