Mestrelab qNMR plugin for Mnova software

Quantitative NMR analysis made easy!

A wide range of analysis types, from manual to assisted or fully automated batch processing, for all your qNMR concentration and purity determinations.

A dedicated workflow developed to streamline qNMR!

Dealing with big batches of samples routinely? Automate your Purity and Concentration data workflows from end to end with our dedicated Mnova Gears solutions. Please check Gears Purity and Gears Concentration for more information.

Visit MestreLab Research qNMR product page to learn more!

Mnova qNMR is FREE FOR ACADEMIC LICENSES with an Mnova NMR license.

Mestrelab Research: Mestrelab qNMR plugin for Mnova software - Wide range of quantitative analysis from manual analysis to assisted automated batch processing.

What’s new in Mnova qNMR 3.2?

The new version of this qNMR plugin has been released with Mnova 14.3.2 and brings a number improvements together with its related Gears automation workflows listed below:

qNMR:

• Updated parameter names for References to enhance user-friendliness: Reference, Reference Name, and RN

Gears Purity:

• Additional methods for extracting molecular weight
  • From the molecule in the document, if it exists
  • From the SMILES text in the parameters table, if it exists
  • From “MW” or “Molecular Weight” fields in the parameters, if they exist

Gears Concentration:

• Increased reporting choices available
• Added units to the average concentration and CCF values in the report
• Reconfigured the settings layout dialogue to enhance visualization

qNMR Highlights

• Works on the basis of identified multiplets for a compound, and the number of Hs for each.
• A “response factor” is determined for a particular instrument and experimental setup, and is used without further reference.
• Automatic detection of all peaks to be excluded from the analysis: residual protic solvent, water, impurities.
• Save and reuse optimized analysis parameters.
• Easily manage replicate samples.
• Validated against a dataset that was analysed by hand, by an expert.
• For purity, input data for your own certified reference standard compounds.
• Define a Standard Operating Procedure (SOP) that can be used by others.

qNMR Features

CONFIGURE THE CONCENTRATION DETERMINATION METHOD

Configure the concentration determination method to use a “concentration conversion factor” (CCF), an artificial signal, or the residual solvent signal. If necessary, automatically compensate for changes in the receiver gain or number of scans.

Mestrelab Research: Mestrelab qNMR plugin for Mnova software - Configure the concentration determination method

PURITY DETERMINATIONS

This module uses the Concentration “engine”, and therefore has all its features. However, this capability has been built to make NMR “Purity” (a.k.a. “Potency”) measurements simple and accurate. As an aside, the same basic functionality can be used to measure salt ratios, and solvent contamination levels.

Mestrelab Research: Mestrelab qNMR plugin for Mnova software - Purity determinations

‘ONE CLICK’ Q-NMR (PURITY)

Optimised tool to obtain your Purity results in one single click using the ‘Advised Analysis’ button. This feature firstly will find your parameters (molecular weight, sample weight, reference compound etc.) Then it will apply optimized settings to carry out the NMR analysis and finally calculate your compounds purity.

Mestrelab Research: Mestrelab qNMR plugin for Mnova software - ‘One click’ q-NMR (purity)

ASSISTED BY STANDARDIZED OPERATIONS

By saving a procedure, easily work with repetitions, or create a SOP for others to always use. The automatic multiplet selection can make the analysis so simple that the hardest task is entering relevant sample-to-sample specific details!

Mestrelab Research: Mestrelab qNMR plugin for Mnova software - Assisted by standardized operations

qNMR Users

• Active Pharmaceutical Ingredients (APIs)
• Drug analysis
• Natural products
• Pharmaceutical compound libraries
• Forensic analysis
• Food sciences and many more!

Mestrelab Research: Mestrelab qNMR plugin for Mnova software - qNMR Users.

Case Studies

Automated qNMR data processing and analysis in the behind the scenes of fragment-based drug discovery

Bringing new drugs into the market is a long, complex process that often requires several years of investigation and considerable human, technological, and economic resources. In the labs of the Cancer Research UK Cancer Therapeutics Unit at The Institute of Cancer Research, London, a Fragment-Based Drug Discovery (FBDD) program has been established for screening and identifying lead compounds with potential therapeutic effects that may serve as starting points for the development of potent drug candidates… Continue reading