Compound sets are groups containing compounds found in your Library. You can use compound sets that you have created in Library Manager to make the task of profiling your spectra easier, by placing compounds that interest you the most at your fingertips.
The Compound Sets view lets you modify the contents of the Compound Table to include any combination of the Compound Sets that you have created in Library Manager. The panel contains a list of every compound set that is currently defined. Contents of the checked compound sets appear in the Compound Table.
| Menu Location | View > Sidebars > Left Sidebar > Compound Sets |
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| Menu Location | View > Sidebars > Right Sidebar > Compound Sets |
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How do I select multiple compound sets?
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Click the checkbox next to the Compound Sets that you want to add to the Compound Table.
How do I select a single compound set?
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Click on the name (as opposed to the checkbox) of the Compound Set that you want to select. All other Compound Sets will be deselected.
Tips and Tricks
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Reference Compound Sets, which contain any Chenomx Reference Compounds in your library, appear automatically in the Compound Sets view. If your library contains any non-Chenomx compounds, including ones that you created yourself, they will appear in a separate compound set called Custom Compounds.
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When you filter the Compound Table by frequency or range, only compounds from all the currently active compound sets are considered, since these are the only compounds in the table. You can use this, for example, by creating a compound set containing only compounds that appear in urine samples. Then, when this urine compound set is the only one active, any quick searches that you perform will only return compounds that appear in urine samples as potential hits.
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A compound set called Profiled Compounds always appears at the top of the Compound Sets view in Profiler. The Profiled Compounds set includes all compounds in the current spectrum that have modified fits, custom colors, pins or stars.
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Profiled Compounds also contains subsets that appear as you start profiling compounds. These sets are automatically updated as you work, and allow you to quickly select profiled compounds that meet specific critia. For example, you can select to view only the compounds that have a defined fit, or only the starred compounds.
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The Profiled Compounds set updates continuously, so if you clear a compound, it immediately disappears from Profiled Compounds. In this case, you can still select the compound from its original compound set.
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If you change the contents of a compound set in Library Manager, your changes immediately appear in Profiler, including modified selection rules for Smart Compound Sets, manual changes to Compound Sets by adding or removing compounds, and created or deleted compound sets.