|Title:||Access to experimentally infeasible spectra by pure-shift NMR covariance|
|Authors:||André Fredi, Pau Nolis, Carlos Cobas, Teodor Parella|
|Reference:||Journal of Magnetic Resonance. Volume 270, September 2016, Pages 161–168|
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.