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Using NMR for Quantitative Analysis

Do you currently use NMR for quantitative analysis?

At the University of Ottawa NMR Facility Blog, Glenn Facey provides some acquisition tips for 1H NMR spectra.

If you perform quantitative analysis on your spectra, how do you do it? Do you do it manually by hand, or do you use some software to help?

I am not sure how many of you are aware of Quanalyst, a quantitation tool available in ACD/1D and 2D NMR Processor that can measure different spectral attributes and automatically measure the result.

For example, some common applications of the tool are to:

  • Calculate the ratio of components in a sample mixture. ( I think this application is especially useful for those in the chemical industry)
  • Reaction Monitoring
  • Finding and quantifying a multiplet for a specific atom
  • Quantifying coupling constant changes in a specific multiplet across a series of spectrum

Here are a couple of application notes available that describe a few of the different applications of Quanalyst:

Reaction Monitoring with Quanalyst (PDF)

Optimizing the Process of Quantifying: From Manual to High-Throughput (PDF)

I will also provide you with a link to an old movie on Quanalyst from an older version of ACD/1D NMR Processor that I still think will give you an idea of how Quanlyst works. Note, if you can’t view the movie, you can download it here.

Perhaps it’s time for a new version of this movie!…I’ll try to get to that and share it with you.

In the meantime, if you are currently doing quantitative analysis, I invite you to share your thoughts, insights, workflows, etc. in the comments section.