Saving items to Database

You will find the quinine datasets under the 'File/Help/Download Example datasets' menu)

It will be really easy to add objects (spectra, molecules, etc...) to a database; just open your Mnova document (containing for example a 1H-NMR spectrum, a molecule and some objects) and follow the menu 'Database/Save to Database'

You can also 'Save to Database' by right clicking on the spectrum to display the spectrum context menu.

After having selected 'Save to Database', you will get a new dialog box where you will see how the spectrum and the molecule(s) are selected by default to be added to the database. If you want to add also the other objects, you will need to check the corresponding boxes or click on the 'All' button.

Once you have done the selection just click on OK to save to the database. During this procedure, Mnova will check the database to find similar spectra or molecules.

If your dataset is new in the database, you will only get a 'Save Complete' message and your dataset will be added to the database:

If it finds a match during the saving procedure, it will ask you to add the new items to the compound (to avoid duplications). If you want to add a new item to an existing record, you will only need to check the OK button (highlighted in red in the picture below).

After having clicked on the OK button, a new dialog box will be displayed to ask you whether to add or replace (when existing items have been found matching those being saved).

If for some reasons, you do not want to add the 13C spectrum to the compound 1, just click on the 'New Record' button (highlighted in blue in the picture above).

You can add 2D NMR or MS datasets to the database. In the case of 2D datasets, if the file size is too big, we recommend to use the 'Compression' feature (under the Processing menu) before uploading the experiments to the database.

If your document contains more than one compound and several molecules are selected for saving, a warning message will be displayed:

When the user chooses to continue, several records (one for each selected molecule) are created in db and each of the records will contain all of the selected spectra.

You can delete any existing record by clicking on the 'Delete Record' button:

Selecting 'Delete Item' from the scroll down menu above, will allow you to delete the undesired item from that particular record.