Experiments for the Editing of Singlet Peaks and Simplification of 1H NMR Spectra of Complex Mixtures

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Title: Experiments for the Editing of Singlet Peaks and Simplification of 1H NMR Spectra of Complex Mixtures
Authors: Manuel Martin-Pastor
Date: 01/16/2014
Reference: J. Agric. Food Chem., 2014, 62 (5), pp 1190–1197
DOI: http://dx.doi.org/10.1021/jf4044869
Download link: http://pubs.acs.org/doi/abs/10.1021/jf4044869

 

A 1D NMR singlet filtered experiment (s-filter) is presented for the clean editing of singlets peaks in crowded ¹H NMR spectra. The experiment affords a clean editing of singlet peaks and weak coupled signals ((n)JHH < 3 Hz), while the remaining multiplets peaks are strongly attenuated to a factor over 90% of its original intensity.

The experiment provided a useful simplification of the typically congested ¹H NMR spectra of foodstuffs, and the edited signals retained most of the sensitivity and quantitativity.

The versatility of the s-filter scheme permitted its easy incorporation as excitation building block into other 1D and 2D experiments, providing a further editing of the singlet responses. The combination of the 1D s-filter experiment and difference spectroscopy provided a 1D reverse singlet filtered experiment (s-filter(rev)) for the clean editing of multiplet peaks and strong suppression of singlets. The experiments proposed could be valuable to facilitate the detection and/or quantification of target compounds in complex mixtures of metabolites.

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