title: Experiments for the editing of singlet peaks and simplification of ¹H NMR spectra of complex mixtures.
abstract: 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.
authors.affiliation: Unidade de Resonancia Magnética, RIADT, Campus Vida, University of Santiago de Compostela , Santiago de Compostela, A Coruña 15706, Spain.
authors.forename: Manuel
authors.initials: M
authors.lastname: Martin-Pastor
mesh_terms: D045424:Complex Mixtures / Q000032:analysis*; D009682:Magnetic Resonance Spectroscopy / Q000295:instrumentation* / Q000379:methods; D000069463:Olive Oil; D010938:Plant Oils / Q000032:analysis*; D014920:Wine / Q000032:analysis*
chemical_list: D045424:Complex Mixtures; D000069463:Olive Oil; D010938:Plant Oils