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Now, let´s extract the spectrum of each compound from the mixture.

In the example below we have assigned the atoms to the applicable peak (for more information about how to make assignments, see this tutorial): Follow the menu ‘View/Tables/Compounds’ and select a different color for each molecular structure (purple for Ethoxyethanol and red for Caffeine): Follow the menu ‘Edit/Properties/Assignments’ and make sure that you have checked the ‘Use Compound Color’ box: This property will show the assignment labels with the color that you have selected for each compound (purple for Ethoxyethanol and red for Caffeine): Extracting spectra from the mixture Assignmentsįirst of all, load your dataset with the applicable molecular structures (you can download the Mnova document from here).

Let's see how to assign a spectrum containing a mixture of two compounds and how to extract the spectrum of each compound from the mixture.