Assignments

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You can easily assign structures to chromatogram peaks by following the menu 'Mass Analysis/Assign' (or from the context menu of a mass assignment label). 

 

MS_assignments

 

Clicking on the 'Assign' button will allow you to load your molecular structures (if you do not have any). Next, click (or click and drag to select a range) on the chromatogram peak that you want to assign. If you have several molecules loaded, you will be allowed to select the desired structure by using your mouse wheel (or the up/down arrow keys).

 

assign_MS

 

Clicking on the 'plus' button will allow you to load additional molecules:

 

add_new_molecule

 

The assignments will be displayed in the MS Assignments table. By default, the assignment label in the chromatogram will show the Compound Label (which you could change from the Compounds Table), but the user could add a different label from the Mass Assignments table:

 

MS_assignments table

 

The table can be reported in the page or copied to the clipboard (to be pasted in a third party application). When hovering the mouse over a row in the table, the assignment label is highlighted on the chromatogram and viceversa (When hovering the mouse over the assignment label, the structure and molecule info shows in a pop up message):

 

MS_assign_highlight.

 

Right clicking on the assignment label, will allow you to change the content of the label (which can also be edited from the MS Assignments table)

 

The label can be customized from the Assignments tab of Mass Spectrum Properties:

 

MS_Assign_prop

 

When setting a color for each compound in the Compounds table, they could be used also for the assignment label. 

 

You can delete assignments by using the applicable button on the ribbon, from the context menu or from the Mass Assignments table:

 

Delete_ms Assignment