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Setting up the DB Server

Before you start using Mnova DB you need to set up the DB Server. Fortunately this task has been greatly simplified since version 7.1.2. Find out how to do it or have a look at the Mnova DB plugin page.

Saving items to the Database

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’ (or click on the applicable icon of the toolbar, highlighted in red in the picture below):

After having selected ‘Save to Database’, you will get a new dialog box where you will see how the spectrum and the molecule 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:

Searching in the DB

You can use the applicable commands to search ‘structures’, ‘substructures’, ‘formulas’, ‘peaks’, ‘multiplets’, ‘Massitems’, ‘numbers’, ‘texts’, etc’:

Let´s see for example how to search peaks in our database. If you have a spectrum loaded in Mnova and you select ‘Database/Peak Search’ (or right click/Peak Search’), the application will look for these peaks in the database:

After having selected the Peak Search feature, the Query Editor dialog box will be displayed:

After having clicked on the OK button, the peak search will be run. In the example below, we have obtained a match for the compound number 25, with a score of 1000 (maximum value):

Clicking on OK will display the dialog box below:

As you can see, you will get the molecular structure, a table with several fields, the query window, spectral views and the item list to change the compound or the spectrum of the preview (just by clicking on the applicable item of the list).

You will also find a couple of buttons to select the ‘display mode’ and to ‘show the reference information.

This is the template called ‘Search Result’, but there are several templates by default which you will find by following the ‘View’ menu (or by clicking on the ‘binoculars’ scroll down menu):

Here you can see for example the ‘Record view’, with information about molecular structure, a table with several fields, a spectral view and a button navigator to change the compound or the spectrum of the preview:

Last modified: July 8, 2014 by