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

• Published in: Cells (Basel, Switzerland) Vol. 11; no. 21; p. 3526
• Main Authors: Seger, Christoph, Sturm, Sonja
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 07.11.2022; MDPI
• Subjects: Biological research; Biology, Experimental; capNMR; Chromatography; Chromatography, High Pressure Liquid - methods; Discriminant analysis; HPLC; HPLC-NMR; HPLC-SPE-NMR; Identification; Magnetic resonance spectroscopy; Magnetic Resonance Spectroscopy - methods; Mass spectrometry; Mass Spectrometry - methods; Mass spectroscopy; Medical research; Methods; Molecular Structure; NMR; NMR spectroscopy; Nuclear magnetic resonance; Nuclear magnetic resonance spectroscopy; Review; Science; Scientific imaging; structure elucidation; Austria; HPLC–MS/MS; HPLC-SPE-NMR; metabolomics; HPLC-NMR; liquid chromatography; mass spectrometry; capNMR; structure elucidation; NMR spectroscopy; HPLC
• ISSN: 2073-4409; 2073-4409
• DOI: 10.3390/cells11213526

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.