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Running verifications in single mode is really easy with Mnova Just import a set of spectra (any combination of a 1H spectrum, a HSQC and a LCMS or GCMS) and a single structure (.mol or .sdf).
Once the data have been imported, invoke the ‘Analysis/Verification/Verification’ menu. In the example below, we will use just a 1H-NMR spectrum:
Once you have selected ‘Analysis/Verification/Verification’; the ‘verification setup’ dialog box will be displayed:
After having clicked on the OK button, you will get your spectrum, a table of verification results and the structure, annotated with color coded assignments (green is a good assignment, yellow is poorer assignment and red is a bad assignment but which still allows the software to make a total assignment of the structure).
Mnova Verify can also be used to run one set of spectra against more than one potential structural candidate (or viceversa). Taking as an example a situation where we have one single spectra set (1H only, for example), as we can see in the figure below:
It is possible to use Mnova Verify to rank these 2 structural candidates on the basis of their NMR. To do so, we would run the ´Analysis/Verification´ command, but in this case making sure that the ´Verify one molecule against one spectrum´ option is unticked, as the count of structures and spectral groups to verify against differ:
The software will run the spectral set against both structures and present the user with a score for each structural proposal, which may in many cases allow the user to differentiate between 2 possible candidate structures.