Infrared spectroscopy of fragments of protonated peptides: direct evidence for macrocyclic structures of b5 ions.

@article{Erlekam2009InfraredSO,
  title={Infrared spectroscopy of fragments of protonated peptides: direct evidence for macrocyclic structures of b5 ions.},
  author={Undine Erlekam and Benjamin J Bythell and Debora Scuderi and Michael J van Stipdonk and B{\'e}la Paizs and Philippe Ma{\^i}tre},
  journal={Journal of the American Chemical Society},
  year={2009},
  volume={131 32},
  pages={
          11503-8
        }
}
b ions are of fundamental importance in peptide sequencing using tandem mass spectrometry. These ions have generally been assumed to exist as protonated oxazolone derivatives. Recent work indicates that medium-sized b ions can rearrange by head-to-tail cyclization of the oxazolone structures generating macrocyclic protonated peptides as intermediates. Here, we show using infrared spectroscopy and density functional theory calculations that the b(5) ion of protonated G(5)R exists in the mass… CONTINUE READING
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