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J Magn Reson. 2016 May;266:16-22. doi: 10.1016/j.jmr.2016.03.003. Epub 2016 Mar 10.

Exploring the use of Generalized Indirect Covariance to reconstruct pure shift NMR spectra: Current Pros and Cons.

Author information

1
Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona, E-08193 Bellaterra, Catalonia, Spain.
2
Mestrelab Research, Santiago de Compostela, E-15706 A Coruña, Spain.
3
NMR Structure Elucidation, Process & Analytical Chemistry, Merck & Co. Inc., 126 E. Lincoln Avenue, Rahway, NJ 07065, United States.
4
Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona, E-08193 Bellaterra, Catalonia, Spain. Electronic address: teodor.parella@uab.cat.

Abstract

The current Pros and Cons of a processing protocol to generate pure chemical shift NMR spectra using Generalized Indirect Covariance are presented and discussed. The transformation of any standard 2D homonuclear and heteronuclear spectrum to its pure shift counterpart by using a reference DIAG spectrum is described. Reconstructed pure shift NMR spectra of NOESY, HSQC, HSQC-TOCSY and HSQMBC experiments are reported for the target molecule strychnine.

KEYWORDS:

Covariance NMR; Pure shift HSQC; Pure shift HSQC-TOCSY; Pure shift HSQMBC; Pure shift NMR

PMID:
27003379
DOI:
10.1016/j.jmr.2016.03.003

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