Using Single Compound Search

In case of Single Compound Search, the Single Compound Search tab of the MS Search dialog opens.

  • Set the Max Hits field – this governs the number of hits later returned to Clarity, but only applies if the MS Search application is closed when you press the Search button.
  • Decide whether you want to restrict the search parameters using the Restrict m/z Range and/or Use Selected m/z Only functions - the search is quicker, but may be imprecise.
  • Press the Search button.

Note:

Search parameters for the MS Search program are pre-set to Spectrum Search Type - Identity, Quick; Presearch: Off. The values may be changed, please see Appendix for more details.

  • For the first try, when the libraries were not successfully set, you might need to redo the search by pressing the Search button.
  • Once the search is successfully performed, return to Clarity using the Switch to Caller button.
  • The results will show, sorted by the Match Factor.
  • By clicking on the row in the table you can switch between the results found, which will change the library spectrum in the graph part overlayed with the real spectrum for visual confirmation. The graph allows standard operations like zooming etc.
  • Once content with the match, select the given row and press the Add Selected to Method button.