NMR AS A TOOL FOR COMPOUND IDENTIFICATION IN MIXTURES

08 March 2023, Version 1

Abstract

Natural products and metabolomics are intrinsically linked by the efforts of analyzing complex mixtures for compound annotation. Although most of the studies that aims for compound identification in mixtures use MS as the main analysis technique, NMR has complementary advances that are worth exploring for enhanced structure confidence. This review intends to showcase a portfolio of the main tools available for compound identification using NMR. COLMAR, SMART-NMR, MADByTE, and NMRfilter are presented using examples collected with real samples from the perspective of a natural products chemist.

Keywords

NMR
Compound ID
complex mixtures

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