Jump to main content
Jump to site search

Issue 40, 2014
Previous Article Next Article

Distinguishing isobaric phosphated and sulfated carbohydrates by coupling of mass spectrometry with gas phase vibrational spectroscopy

Author affiliations

Abstract

An original application of the coupling of mass spectrometry with vibrational spectroscopy, used for the first time to discriminate isobaric bioactive saccharides with sulfate and phosphate functional modifications, is presented. Whereas their nominal masses and fragmentation patterns are undifferentiated by sole mass spectrometry, their distinctive OH stretching modes at 3595 cm−1 and 3666 cm−1, respectively, provide a reliable spectroscopic diagnostic for distinguishing their sulfate or phosphate functionalization. A detailed analysis of the 6-sulfated and 6-phosphated D-glucosamine conformations is presented, together with theoretical scaled harmonic spectra and anharmonic spectra (VPT2 and DFT-based molecular dynamics simulations). Strong anharmonic effects are observed in the case of the phosphated species, resulting in a dramatic enhancement of its phosphate diagnostic mode.

Graphical abstract: Distinguishing isobaric phosphated and sulfated carbohydrates by coupling of mass spectrometry with gas phase vibrational spectroscopy

Back to tab navigation

Supplementary files

Publication details

The article was received on 02 Jul 2014, accepted on 26 Aug 2014 and first published on 28 Aug 2014


Article type: Paper
DOI: 10.1039/C4CP02898H
Author version available: Download Author version (PDF)
Citation: Phys. Chem. Chem. Phys., 2014,16, 22131-22138
  •   Request permissions

    Distinguishing isobaric phosphated and sulfated carbohydrates by coupling of mass spectrometry with gas phase vibrational spectroscopy

    B. Schindler, J. Joshi, A. Allouche, D. Simon, S. Chambert, V. Brites, M. Gaigeot and I. Compagnon, Phys. Chem. Chem. Phys., 2014, 16, 22131
    DOI: 10.1039/C4CP02898H

Search articles by author

Spotlight

Advertisements