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A rapid and efficient approach to metabolite identification using nuclear magnetic resonance spectroscopy, liquid chromatography/mass spectrometry and liquid chromatography/nuclear magnetic resonance spectroscopy/sequential mass spectrometry
Author(s) -
Dear G. J.,
Ayrton J.,
Plumb R.,
Sweatman B. C.,
Ismail I. M.,
Fraser I. J.,
Mutch P. J.
Publication year - 1998
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/(sici)1097-0231(19981230)12:24<2023::aid-rcm431>3.0.co;2-6
Subject(s) - chemistry , mass spectrometry , nuclear magnetic resonance spectroscopy , chromatography , spectroscopy , liquid chromatography–mass spectrometry , analytical chemistry (journal) , nuclear magnetic resonance , metabolite , high performance liquid chromatography , biochemistry , physics , organic chemistry , quantum mechanics
High‐performance liquid chromatography, nuclear magnetic resonance (NMR) spectroscopy and sequential mass spectrometry (MS n ) have been combined to allow rapid and effective identification of metabolites in urine following administration of the novel non‐nucleoside reverse transcriptase inhibitor, GW420867. The combination of these techniques has enabled structural and molecular weight information to be interpreted by the analyst with greater efficiency and accuracy. This work demonstrates the potential of coupling MS n using an ion trap spectrometer with NMR spectroscopy, providing an extremely powerful technique for structural elucidation. Copyright © 1998 John Wiley & Sons, Ltd.