21 / 03 / 2020

I’m new to qNMR: where can I get basic guidance on how to do it?

qNMR starter pack

There’s no denying that there is a lot of literature on qNMR usage, and detailed uncertainty analyses and discourses on phase correction can make the topic appear impenetrable and daunting! Like many fields of NMR, the literature is sprinkled with jargon, acronyms, and (often debateable) “truths” and mantras.

qNMR analysis of catechin

So, where can you get started? Where can you learn the first, essential basics?

In this article I will suggest a few of my “favourites”, which will be among the many that are available.

A little time ago I wrote some blog articles, and I believe that they are still quite relevant. The “qNMR Recipe Book trio” blogs are quite easy to read, and I suggest you start here:

qNMR Purity Recipe Book (1 – Sample Preparation)

qNMR Purity Recipe Book (2 – NMR Acquisition)

qNMR Purity Recipe Book (3 – Data processing)

A number of journal articles have set out achieve a similar purpose, and I suggest that you might then read:

Bharti, S. K., & Roy, R. (2012). Quantitative 1H NMR spectroscopy. TrAC Trends in Analytical Chemistry, 35, 5–26. https://doi.org/10.1016/j.trac.2012.02.007

Pauli, G. F., Chen, S.-N., Simmler, C., Lankin, D. C., Gödecke, T., Jaki, B. U., … Napolitano, J. G. (2014). Importance of Purity Evaluation and the Potential of Quantitative 1H NMR as a Purity Assay. Journal of Medicinal Chemistry, 57(22), 9220–9231. https://doi.org/10.1021/jm500734a

The second article has sample data which you can use to test your processing skills.

As you become more knowledgeable with qNMR, I now suggest that you may be interested in a few of the “official” guidelines that are freely available. These are quite practical, but also talk about more advanced topics.

EUROLAB Guide to NMR Method Development and Validation – Part I: Identification and Quantification


QUANTITATIVE NMR - Technical Details and TraceCERT® - Certified Reference Materials


What's in the future for qNMR? This review article has the answers:

Diehl, B., Holzgrabe, U., Monakhova, Y., & Schönberger, T. (2020). Quo Vadis qNMR? Journal of Pharmaceutical and Biomedical Analysis, 177, 1–13. https://doi.org/10.1016/j.jpba.2019.112847

There, you have taken your first steps to a wonderful, new world of quantitation using NMR!