Nuclear magnetic resonance structure elucidation of peptide b2 ions

Pengyuan Liu, R. Graham Cooks, Hao Chen

Research output: Contribution to journalArticlepeer-review

11 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)1547-1550
Number of pages4
JournalAngewandte Chemie - International Edition
Issue number5
StatePublished - Jan 26 2015
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Catalysis
  • General Chemistry


  • Fragments
  • Mass spectrometry
  • NMR spectroscopy
  • Peptides
  • Structure elucidation


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