| 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.
