Mestrelab Research:Chemistry Software for NMR and LC GC MS

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10/05/2013. Mnova 8.1.2 has been released. Download it and do check our new qNMR plugin

Mnova MS

Overview

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 on higher value work.

Check currently supported dataset formats.

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Purchase

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We have prepared a very short video explaining how Mnova MS can be useful to you.

The user interface operates in an intuitive user-friendly manner that even a non-skilled MS-person can handle without any guidance.

Hans H. Grant and Kim T. Nielsen. at LEO Pharma A/S

Highlighted features

View all features

Combine NMR and LC/GC/MS data in the same document

  • Open automatically, by simply dragging and dropping, LC, GC and/or MS data coming from Agilent, Bruker, JEOL, Thermo, Waters equipment, as well as data in mzData or mzXML formats. (Find the complete list of supported formats here)
  • Automatically or manually integrate peaks in the TIC, MS, and UV traces. Automatic peak picking and integration are carried out upon importing the spectrum, automatic results can be edited by manually interacting with the data.
  • Select spectra based on TIC peaks, with / without background subtraction
  • Co-add spectra manually
  • Display different TICs and MS Spectra from different functions, as well as DAD and PDA traces

Easily generate EMC (Mass Chromatograms) and UV traces

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.

Automatic molecule matching for structure confirmation

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.