title: LC-SPE-NMR-MS: a total analysis system for bioanalysis.
abstract: Liquid chromatography (LC)-solid-phase extraction (SPE)-nuclear magnetic resonance (NMR)-mass spectrometry (MS) coupling is a key technology for fast and thorough structure elucidation of valuable mass-limited samples. Laborious serial isolation and purification procedures of metabolites, byproducts or impurities from complex biomatrices, natural product extracts or other mixtures of several components can be circumvented by the use of this integrated modular system. This combination of high-end analytical technology significantly accelerates the structure-elucidation process for valuable samples present in minute quantities in mixtures. The information depth is significantly increased by the concurrent availability of NMR and MS data of one chromatographic peak. Thus, this flexible technique is well on its way to becoming the gold standard in analytical chemistry of mixtures. LC-SPE-NMR-MS overcomes the limitations of directly coupled LC-NMR. Full flexibility regarding chromatographic conditions and NMR acquisition is gained by this modular technique. LC-SPE-NMR-MS allows for a rapid structure-elucidation process that would not be possible on the basis of MS or NMR data alone.
authors.affiliation: F Hoffmann-La Roche Ltd, Pharmaceuticals Division, CH-4070 Basel, Switzerland. goetz.schlotterbeck@roche.com
authors.forename: Götz
authors.initials: G
authors.lastname: Schlotterbeck
authors.forename: Simona M
authors.initials: SM
authors.lastname: Ceccarelli
mesh_terms: D002853:Chromatography, Liquid; D009682:Magnetic Resonance Spectroscopy; D013058:Mass Spectrometry; D004364:Pharmaceutical Preparations / Q000032:analysis* / Q000737:chemistry / Q000378:metabolism*; D052616:Solid Phase Extraction
chemical_list: D004364:Pharmaceutical Preparations