Labeling the Chromatogram Peaks with MS Library Search Result Using MassHunter Qualitative Analysis

Answer

This Information Applies To: Agilent MassHunter qualitative analysis software

Content:

MassHunter can be configured to label TIC chromatographic peaks with the best match compound name from an MS library search. 

Steps to follow:

1. On the top tool bar click Compounds View to open the Method Editor window (Figure 1).

   Figure 1. Location of Compounds View button

2. Click Method Automation > Workflow, in the Options tab select Workflow > Compound Discovery, Compound mining > Find by Integration, select the Identify by check box, and select the Library to search (Figure 2).

    

   Figure 2. Set the method automation workflow

3. Click Compound Discovery, select Find by Integration, in the Results tab select New results >Highlight all compounds (Figure 3).

   
   Figure 3. Set the option of Highlight all compounds

4. Go to the chromatograph window. In the tool bar at the top of the chromatogram window, click the finger icon to open the chromatogram display options (Figure 4).

   Figure 4. Chromatogram Display Options icon

5. In the Chromatogram tab, select Peak Labels > Compound Label. You can also set individual Peak labels parameters including: Label top plot only (default), Vertical label orientation (horizontal is the default), in the Common tab select Allow overlap with other labels and font size (Figure 5).

   Figure 5. Chromatogram display options

6. Select Method > Save As to save the method as a new name.

7. Select Method > Run Method Workflow to run the method.

8. All of the chromatographic peaks integrated are highlighted in the Compound List with the best match compound name labeled on each peak in the TIC Chromatogram (Figure 6). 

   Figure 6. The TIC chromatogram labeled with the compound name

Learn how to operate your Agilent MassHunter Software:  Agilent 5977 GC/MSD with MassHunter Workstation Agilent 7000 or 7010 Triple Quadrupole GC/MS with MassHunter Workstation e-learning course available from Agilent education.