Using Automatic Compound Search

When you run an Automatic Compound Search, the Automatic Compound Search tab of the MS Search dialog opens.

1. In Use Signal ①, choose the signal on which peaks will be detected and matched with the spectral libraries. You can select any standard signal (including TIC), an external signal, or a signal extracted from raw data (in which case select the desired m/z in the provided field).
2. Optionally adjust the search parameters as needed, i.e. Search In Ret. Time ②, Search Options ③ or Search in Libraries ④. These options are the same as in Single Compound Search.
3. Click the Search ⑤ button. The search will automatically run for all peaks identified in the TIC, BPI, or on the selected m/z in the chromatogram, using the selected libraries. By default, only the best match for each peak is displayed in the table.
4. To view additional matches for a peak, click the Expand icon ⑥ in that row. To expand or collapse results for all peaks, use the Expand/Collapse All Results checkbox ⑦.
5. After reviewing the results, select the desired matches in the Selected column using the check box ⑧ (maximum one search result per peak can be selected).
6. Click Add All Selected to Method ⑨ to add the chosen compounds to the MS Method.