Fast Visual Guide to process routine 2D-NMR datasets

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(Not available in Mnova Lite)

You will find the quinine datasets by following the menu 'File/Help/Download Example datasets'.

 

The procedure to process a 2D-NMR spectrum is very similar with the monodimensional one:

1. Drag&drop the folder containing the spectral files or click on the 'File/Open' button open icon and select the FID file (or SER file in Bruker) to obtain the processed 2D-NMR spectrum. Mnova will select the processing functions for you (FT, Phase Correction, etc) but, of course, you may change and optimize any of them and then re-process the data if you wish.

 

2D Guide 1

 

2. Mnova automatically detects the 1D spectra and use them as external traces of a 2D plot if the applicable option is checked under the 'File/Preferences/NMR/Import' menu.

 

If the 'Auto Attach Traces' option is not checked, you can drag and drop any currently opened 1D-NMR spectrum to a 2D NMR dataset in order to get them as traces. Here you can see how the page number 1, containing a 1H dataset is dropped to the HSQC to get the horizontal trace:

 

show trace dragging

 

The same can be done with the page 2 (containing a 13C spectrum) to get the vertical trace:

 

vertical trace

 

Here you can see the result:

 

result

 

3. To calibrate your spectrum, just click on the 'Reference' toolbar button TMS and then select the peak you want to be a reference point. Finally, select the desired reference along f2 and then along f1:

 

2D Guide 4

 

If you have your 1H and 13C NMR spectrum loaded, you can use the 'Absolute Reference' feature to reference 2D & C-13, by clicking on the 'Absolute Reference' button of the toolbar (or by following the menu 'Analysis/Reference/Absolute Reference'):

 

Absolute RefGuide

 

4. Click on the 'Peak Picking' icon Peak icon to run a Peak Picking analysis and follow the menu 'View/Tables/Parameters' to display the 'Parameters Table'.

 

Tables View2

 

5. Then, click on the 'Report' button to paste the table on your page and move it to the right (by clicking&dragging). Finally resize the 2D spectrum to get the report below:

 

report2D

 

See also:

Fast Visual Guide to process routine 1D-NMR experimental data

1D Processing Tour

2D Processing Tour

Manual Phase Correction in 2D-NMR

Watch a miniclip on this functionality at this link