Processing & analyzing LC GC MS data that emphasizes minimalism, simplicity, and agility.
By providing a common interface for different vendor data and automating all functionality (data read in and display, integration, background subtraction and complicated computational analysis), Mnova MS opens the power of the technique to all non expert users). This allows you to remove bottlenecks in your organization by taking routine work off the hands of your experts and by maximizing the time they can spend in higher value work.
Important: Mnova MS in only available for Windows
Take advantage of a same powerful framework for all our plugins and techniques
Multiplatform: Linux, Mac and Windows versions
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Easily generate Extracted Chromatograms for a given mass range or a certain m/z value. Compare these EMCs with the peaks in the TIC for better information on overlapped peaks.
Structure confirmation is a common objective when working with analytical chemistry data. Often, several techniques are combined for this purpose, most commonly NMR and LC/GC/MS. 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 from MOL or SD file formats, or copy/paste from ChemDraw, Isis/Draw and ChemSketch, 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.
With appropriate 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.
Once the processing and analysis of LC/GC/MS data have been completed, frequently it will be necessary to report on such analysis, very often in combination with similar analysis carried out by NMR. Mnova allows the user to combine both techniques seamlessly for reporting, even within the same document.
In addition, Mnova also makes it possible to automate most of any organization’s repetitive and non-value-adding tasks using Mnova Scripting Capabilities and its multi-technique environment (which allows our users to combine NMR LC GC MS in the same document).
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 the one on the right. 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.
