Using Single Compound Search

When you run a Single Compound Search, the Single Compound Search tab of the MS Search dialog opens.

  1. In Search in Ret. Time ①, you can specify a single retention time or a retention time range in which to search.
  2. Set Max Hits ② – this defines how many results will be returned to Clarity. This setting applies only if the MS Search application is closed when you press Search.
  3. Optionally, limit the search by selecting Restrict m/z Range ⓐ and/or Use Selected m/z ⓑ. This can make the search faster but the search may be more inaccurate. Additionally, Background Subtraction ⓒ option may be applied.
  4. Select the library/libraries to search in using Search in Libraries ③ section. Here, both the Demo_ms and MAINLIB libraries are chosen.
  5. Click the Search ④ button to start the search.

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.

  1. Review the results, which are sorted by Match Factor . Click a row to display the matching library spectrum overlaid with the actual spectrum in the graph for visual comparison.
  2. When you are satisfied with the match (or multiple matches), use the check box ⑤ for the chosen compound and click Add Selected to Method ⑥ to add the compound to the MS Method.