qNMR

qNMR is the “gold standard” of compound quantification and has found many uses and applications. qNMR stands for “quantitative NMR”, and refers to the use of NMR to determine the concentration of one or more chemical species in solution.

The area of an NMR signal is directly proportional to its concentration, and this “response” will be the same for all molecules.

And this is also what sets qNMR apart from almost all other metrological techniques used to quantify compounds. Each suffers with problems such as compound-specific response factors (UV), chemical considerations (NCLD), or relative volatility (ELSD). The qNMR method only requires that (a) the sample dissolves completely in a (normally fully deuterated) solvent, and (b) it contains NMR-active nuclides – and that some care and attention is paid to data collection and processing.

Our new module provides a mechanism to quantify compounds that is:

➢Accurate

➢Versatile

➢Automatic

The basics of qNMR require simply the Absolute Integral per nuclide for one or more spectral regions, and a factor to convert this to concentration.

We have designed a competent, flexible, and sophisticated program for quantitation by NMR. It may be run fully automatically and is thereby incorporated into automated procedures and combined to streamline processes such as compound Verification and quantitation.

This new feature needs its own license and it is located under the Quantitation menu of Mnova.

qNMR

You will need to install the qNMR plugin separately, by following the menu 'File/Advanced Plugins' and checking the applicable box.

Once you have installed the advanced plugin, you can move the folder to a shared location and create a defaults.ini file (in the Mnova installation folder) pointing to it. After doing that, all users accounts will have the advanced plugin installed.

Here you can see an example of a.defaults.ini file:
[%General]

AdvancedPluginsDir=C:\Your\Path\To\Plugins\Here

For further information about qNMR:

http://mestrelab.com/blog/what-is-qnmr/

http://mestrelab.com/blog/qnmr-the-best-pulse-length-for-acquisition/

http://mestrelab.com/blog/edited-sum-integration-for-qnmr/

http://mestrelab.com/blog/determining-concentrations-when-using-nmr-to-model-chemical-reactions/

http://mestrelab.com/blog/nmr-quantification/

http://mestrelab.com/blog/automating-qnmr/

http://mestrelab.com/blog/qnmr-purity-recipe-book-i/

http://mestrelab.com/blog/qnmr-purity-recipe-book-ii/

http://mestrelab.com/blog/qnmr-purity-recipe-book-iii/

http://mestrelab.com/resources/getting-picky-with-q-nmr/

http://mestrelab.com/blog/new-qnmr-experiments/