Mestrelab

Mestrelab

Reviewed by Hans Grant and Kim Troensegaard Nielsen 
LEO Pharma, Denmark 

SOFTWARE-6-Mestrelab-200

The Mnova Suite is already a well known package for handling nuclear magnetic resonance (NMR) data and in version 6.1.1, a mass spectrometry (MS) plug-in is added. This new suite also contains prediction plug-ins and customisation possibilities through Java-based scripting, making Mnova attractive for companies who want to optimise their workflow. 

The MS plug-in can read MS data from a variety of vendors and offer all the basic routines such as elemental composition, molecule matching and extraction of mass chromatograms needed for viewing and analysing MS data. The user interface operates in an intuitive user friendly manner that even a non-skilled MS operator can handle without any guidance.

The possibility to make Java-based scripts is one of Mnova’s big advantages compared to other competitors. The scripts can deal with customising layout and processing parts. It is also possible to create dialogue boxes that offer different possibilities for processing, saving etc. In this way the scripts offer a unique possibility to shape one’s optimal workflow. At LEO Pharma, we have designed dialogue boxes and layouts for automation of MS integration and registration of NMR data in our databases, respectively. 

However some options are missing. Possibilities for peak detection and background subtraction seem to be limited. For example, possibilities to choose a time range, thresholds in absolute values, choosing height instead of area, smoothing and background subtraction with a range instead of single scans chosen by the software. Another limitation in the MS plug-in is the missing ability to read photodiode array ultraviolet (PDA/UV) traces. However, Mestrelab Research has promised that this will be implemented very soon. 

There is no doubt - if Mestrelab Research manages to incorporate the ability to read PDA/UV traces - that the Mnova Suite will perfectly fulfil our needs for a walk-up software that should handle both NMR and MS data for organic and/or formulation chemists.

For more information and a downloadable demo version go to the website.


Topics