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10/05/2013. Mnova 8.1.2 has been released. Download it and do check our new qNMR plugin
Easily generate Extracted Chromatograms for a given mass range or a certain m/z value and UV Traces from a given wavelenght
Compare these EMCs with the peaks in the TIC for better information on overlapped peaks.
In addition to its many tools for structure confirmation by NMR, implemented in the NMR plugin, Mnova also implements tools for automatic structure confirmation by LC/GC/MS.
This functionality is extremely fast and easy to use, making this capability available to all users, even complete novices.
Import chemical structures and let the software confirm which ones match your experimental data. The assign match criteria can be customized by selecting the adducts and losses, mass accuracy and score thresholds; to find out more about this feature visit our Molecule Match in Mass Spectrometry Training Resource.
It is also possible to run a Molecular Match with a MS/MS spectrum and see the result directly in the MS/MS. Here you can see an example.
With high accuracy mass spectral data, determine potential elemental compositions for a given molecular ion. Using Mnova MS it is possible to do an ‘Elemental Composition’ analysis of any peak of the Mass spectrum. Just define your constraints and click on the desired peak to obtain a table like this one with proposed elemental composition sorted by goodness of fit.
To find out more about this feature visit our How to Compute Elemental Composition Training Resource.
Mnova also makes it possible to automate most of any organization’s repetitive and non-value-adding tasks using Mnova Scripting Capabilities.
In this example we show how it’s possible to start from an LC/MS dataset and expected structures (or MW) and automatically end up with a report similar to this one. This functionality can also be run in batch mode and exported as PDF or any other format. Watch the video to see how the automation works.
This script will auto analyze and report the following results in PDF and other types of outputs
This is another sample script incorporated in 7.1.0 which will allow users to subtract a blank background run from the run of interest, for example to ensure a good baseline for quantitation purposes, or to accurately measure differences between two or more runs.
Mnova MS is a vendor independent software. These are the currently supported formats:
[1]At present, Mnova MS supports Bruker Compass and Daltonics but it is necessary to have the Bruker software installed on the same computer for this to work. Please follow this tutorial to find out how to do it.
[2]At present, Mnova MS supports Analyst files, but it is necessary to have the Analyst software installed on the same computer for this to work. We will be updating this page with further information on the Analyst format. In the meantime, to find out more about downloading and installing Analyst to complement your Mnova installation, email us at support@mestrelab.com
Contact us if you have any doubts regarding your datasets and its compatibility with Mnova NMR.
