qNMR

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!

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

What’s new in Mnova qNMR 3.1?

This new version of the qNMR plugin has been released with Mnova 14.3 and brings a few improvements to both concentration and purity determination workflows.

  • Concentration:
    • Fixed some bugs to maintain the compatibility between Concentration /Batch Concentration
    • Fixed a bug that was causing critical error after applying line fitting
    • The restrictions in decimal places for compensation factors has been removed
    • The Apply nuclides and multiplicity factor options now work correctly

 

  • Purity:
    • It is now possible to modify the number of decimal places from the Purity Results table
    • Custom scripts can now be applied to create custom reports
    • Purity now ignores case when reading the string provided in the parameters table to detect the purity experiment to use in the analysis. That string can start with “Ex”, “Exp”, and “Experiment”

Mnova qNMR: 45-day FREE trial

product_icon_download 1. Download

qNMR is a plugin integrated in MnovaNo extra installer is required.

product_icon_install 2. Installation

Open Mnova and go to ‘Help/Get-Install Licenses’. Select ‘Evaluate’.

product_icon_license 3. License

Fill in the license request form and you will receive your trial license via e-mail.

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.

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.

‘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.

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!

Markets

qNMR Users

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

Success Stories

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 complex and long 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… Read More