Mestrelab Research Mnova 14.1.0

Smarter manual assignments with 1H and HSQC NMR spectra
When manually assigning an atom from the molecule to a 1H NMR multiplet, the program will automatically deduce corresponding HSQC correlation even if the latter has no multiplets created. Furthermore, this process works in the other direction: when assigning a HSQC multiplet, the program will automatically assign corresponding 1H multiplet even if the 1H spectrum has no multiplets. (Note: this type of assignments deduction works only for multiplets and not for other spectral elements such as peaks, regions or integrals). These new automatic deductions become very handy when assigning diastereotopic protons.

qNMR and Concentration determination: Improved usability, reporting, and many new features
The Concentration plugin now supports the PULCON method. The qNMR/Purity plugin has been simplified, and benefits from significant, new functionality. Analyses are more robust and convenient than ever. qGSD support is improved. A host of smaller features round out the new release. Our unique spectrum suitability testing tool, SQA, can be seamlessly built into the analysis.
- “Prescribed analysis” is a one-button press option. Use our standard integration methods or choose customized to your needs.
- Reporting has been vastly improved, and is equally applicable to singleton measurements or repeats/replicates.
- Label your integration limits with the integration method, and whether qGSD reached an acceptable convergence tolerance.
- Save an expiry date and lot number of your reference compounds.
Use our standard integration methods or customized to your needs. You can be assured that the same analysis methods will be used every time.

Data Analysis panel for stacked chromatograms
You can now stack chromatograms from MS or UV detectors. The Data Analysis Panel then allows you to define the region(s) to integrate, display the data points, and fit to a function. It is also possible to edit the X values (time values) for each trace or manually adjust each trace to better align them. The Data Analysis report and table can be pasted in the document. This functionality will be useful for reaction monitoring.

Import processed Varian files to Mnova
The capability to load processed Varian files has been implemented in Mnova 14.1. Phasefile files, i.e. Varian VNMR, can be loaded via:
- Drag & drop from the Operating System browser
- Mnova “Data Browser”
- “Open” dialog
Customize your default line fitting parameters and save them as default, with the new Save and Restore buttons.
Improved cutting tool
Now, the cutting tool is aware of dimension and nucleus of the selected items. For example, if there are selected one HSQC, one COSY, one 1H and one 13C:
– If we cut the HSQC (in both dimensions): the cut in f1 will be applied to the 13C spectrum, the cut in f2 will be applied to the 1H spectrum, and to both dimensions in the COSY.
– If we cut the COSY (in both dimensions): the cuts in f1 and f2 will be applied to the HSQC in f2 dimension and to the 1H spectrum. The 13C spectrum will be unaltered.
– If we cut the 13C spectrum: the cut will be applied to the HSQC in the f1 dimension.
– If we cut the 1H spectrum: the cut will be applied to the HSQC in the f2 dimension, and to the COSY in both dimensions.
“Same as horizontal” option added to Manual Zoom
When applying a Manual Zoom in homonuclear experiments (COSY, TOCSY and NOESY), the option “Same as horizontal” is now. When checked, the ranges you type into one dimension are automatically used in the other dimension.

Use MSC to preprocess stacked spectra in Mnova ElViS
Multiplicative Scatter Correction, MSC, is now available for the preprocessing of stacked spectra. MSC is useful to eliminate scatter effects, particularly in NIR spectra. We have also added the “Invert Sign” action. These new features are added to a host of other processing actions already available in Mnova ElViS (see image below)

Drill down into NMR Predictor results
For some time Mnova has allowed you to train the prediction engine using experimental assigned data to improve both the prediction accuracy and precision. What is new in this version is that, in the case of 13C NMR Prediction, it is now possible to drill down into those User 13C assigned data sets to review the information of each compound from the databases.

Polymer brackets improvements
We have improved how Mnova opens SDX and SKC files generated when the molecule includes brackets. We hope this make life easier for those of you working with polymers & Mnova.
New molecules format accepted
Mnova can now read SKC files created with BIOVIA. Other SKC files Mnova could already open include those generated with ChemDraw, MarvinSketch or ISISDraw
Molecular composition now displayed in Compounds Table ‘Properties’ Column
A new property named “Molecular Composition” is displayed in the compounds table. The information shown corresponds with the elemental analysis of the molecule, i.e. the ratio of elements from within the sample.

…. and more

Minimum system requirements
- Windows 7 or higher
- Pentium 300 MHz, 128MB RAM, Video Adapter Super VGA (800 x 600) with X11, OpenSSL and OpenGL libraries.