Infrared multiple photon dissociation spectroscopy and computational studies of O-glycosylated peptides

Anal Chem. 2012 Mar 6;84(5):2188-94. doi: 10.1021/ac202379v. Epub 2012 Feb 10.

Abstract

The infrared multiple photon dissociation (IRMPD) spectra of O-glycosylated peptides in the gas phase were studied in the IR scanning range of 5.7-9.5 μm. Fragmentation of protonated and sodiated O-glycopeptides was investigated using electrospray ionization (ESI) Fourier-transform ion cyclotron resonance (FTICR) mass spectrometry (MS) with a free electron laser (FEL). FEL is used in the IRMPD technique as a tunable IR light source. In the IRMPD spectroscopic analysis of the protonated O-glycopeptide, fragment ions of the b/y and B/Y types were observed in the range of 5.7-9.5 μm, corresponding to the cleavage of the backbone in the parent amino acid sequence and glycosyl bonds, whereas the spectra of the sodiated glycopeptide showed major peaks of photoproducts of the B/Y type in the range of 8.4-9.5 μm. The IRMPD spectra of the O-glycopeptides were compared with simulated IR spectra for the structures obtained from the molecular dynamics.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Sequence
  • Fourier Analysis
  • Gases / chemistry
  • Glycosylation
  • Peptides / chemistry*
  • Photons
  • Spectrometry, Mass, Electrospray Ionization*
  • Spectrophotometry, Infrared*

Substances

  • Gases
  • Peptides