mestrenova multiplet analysis not working

Finally click on the ‘New Spectrum’ button to generate the ‘Caffeine’ spectrum: Do the same with the ‘Ethoxyethanol’ to get the applicable spectrum You can download from here the final document containing the mixture and the extracted spectra of each compound. You will get the applicable peaks labels for each compound as you can see below: Finally, click on the ‘Filter’ button of the Peaks Table and select ‘Peaks assigned to Caffeine’: You will see how the Peaks table will only contain the peaks of the Caffeine. Next click on ‘Set Compound’ and select the applicable molecule. Click on the ‘Select Peaks’ button and drag&drop over the peaks which belong to Caffeine: Finally, click on the ‘Set Compound’ button of the Peaks Table and select ‘Caffeine’: Click again on the ‘Select Peaks’ button and select the peaks of the Ethoxyethanol. the problem is that while the integrals I previously calculated with manual integration make sense, with manual mu. Run an automatic ‘Peak Picking’ analysis and follow the menu ‘View/Tables/Peaks’. so I recently got my hands on the full version of mestrenova which includes multiplet analysis, which I needed in order to print the peak report for my thesis (I previously used the lite version which only has the integration tool). 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.

Mestrenova multiplet analysis not working