NMR-Based Chromatography Readouts: Indispensable Tools to Translate Analytical Features into Molecular Structures

Gaining structural information is a must to allow the unequivocal structural characterization of analytes from natural sources. In liquid state, NMR spectroscopy is almost the only possible alternative to HPLC-MS and hyphenating the effluent of an analyte separation device to the probe head of an NMR spectrometer has therefore been pursued for more than three decades. The purpose of this review article was to demonstrate that, while it is possible to use mass spectrometry and similar methods to differentiate, group, and often assign the differentiating variables to entities that can be recognized as single molecules, the structural characterization of these putative biomarkers usually requires the use of NMR spectroscopy.

Automated summary

NMR spectroscopy is essential for determining the structural information of analytes from natural sources in liquid state. While mass spectrometry can differentiate and group biomarkers, the structural characterization often requires the use of NMR spectroscopy.