Journal Highlight: Nuclear magnetic resonance structure elucidation of peptide b2 ions

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  • Published: Feb 1, 2015
  • Author: spectroscopyNOW
  • Channels: NMR Knowledge Base
thumbnail image: Journal Highlight: Nuclear magnetic resonance structure elucidation of peptide <em>b</em><sub>2</sub> ions
A strategy has been introduced to elucidate MS fragment ion structures using NMR spectroscopy for the first time, illustrated by the peptide b2 fragment ion.

Nuclear magnetic resonance structure elucidation of peptide b2 ions

Angewandte Chemie International Edition, 2015, 54, 1547-1550
Pengyuan Liu, R. Graham Cooks and Hao Chen

Abstract: 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 b2 fragment ion, a subject of longstanding debate in MS-based proteomics.

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