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Nuclear Magnetic Resonance Structure Elucidation of Peptide b 2 Ions
Author(s) -
Liu Pengyuan,
Cooks R. Graham,
Chen Hao
Publication year - 2015
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201410250
Subject(s) - mass spectrometry , chemistry , ion , tandem mass spectrometry , nuclear magnetic resonance spectroscopy , top down proteomics , analytical chemistry (journal) , tandem , protein mass spectrometry , stereochemistry , materials science , chromatography , organic chemistry , composite material
Tandem mass spectrometry (MS/MS) is powerful for chemical identification but it is still insufficient for explicit ion structure determination. A strategy is introduced to elucidate MS fragment ion structures using NMR spectroscopy for the first time. In our experiments, precursor ions are dissociated at atmospheric pressure and the resulting fragment ions are identified by mass spectrometry but collected outside the mass spectrometer, making the subsequent NMR measurements possible. This new strategy has been applied to determine the chemical structure of the characteristic b 2 fragment ion, a subject of longstanding debate in MS‐based proteomics.