title: Access to experimentally infeasible spectra by pure-shift NMR covariance.
abstract: Covariance processing is a versatile processing tool to generate synthetic NMR spectral representations without the need to acquire time-consuming experimental datasets. Here we show that even experimentally prohibited NMR spectra can be reconstructed by introducing key features of a reference 1D CHn-edited spectrum into standard 2D spectra. This general procedure is illustrated with the calculation of experimentally infeasible multiplicity-edited pure-shift NMR spectra of some very popular homonuclear (ME-psCOSY and ME-psTOCSY) and heteronuclear (ME-psHSQC-TOCSY and ME-psHMBC) experiments.
authors: Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona, E-08193 Bellaterra, Catalonia, Spain.
authors: André
authors: A
authors: Fredi
authors: Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona, E-08193 Bellaterra, Catalonia, Spain.
authors: Pau
authors: P
authors: Nolis
authors: Mestrelab Research, Santiago de Compostela, E-15706 A Coruña, Spain.
authors: Carlos
authors: C
authors: Cobas
authors: Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona, E-08193 Bellaterra, Catalonia, Spain. Electronic address: teodor.parella@uab.cat.
authors: Teodor
authors: T
authors: Parella
keywords: Covariance NMR; Multiplicity-edited COSY; Multiplicity-edited HMBC; Multiplicity-edited TOCSY; Pure shift NMR