Chapter 13. Software Tools for Semi-automatic Interpretation of Mass Spectra of Glycans

  1. Claus-Wilhelm von der Lieth3,
  2. Thomas Lütteke4 and
  3. Martin Frank3
  1. Kai Maass1 and
  2. Alessio Ceroni2

Published Online: 13 NOV 2009

DOI: 10.1002/9780470029619.ch13

Bioinformatics for Glycobiology and Glycomics: An Introduction

Bioinformatics for Glycobiology and Glycomics: An Introduction

How to Cite

Maass, K. and Ceroni, A. (2009) Software Tools for Semi-automatic Interpretation of Mass Spectra of Glycans, in Bioinformatics for Glycobiology and Glycomics: An Introduction (eds C.-W. von der Lieth, T. Lütteke and M. Frank), John Wiley & Sons, Ltd, Chichester, UK. doi: 10.1002/9780470029619.ch13

Editor Information

  1. 3

    Molecular Structure Analysis Core Facility, Deutsches Krebsforschungszentrum (German Cancer Research Center), Heidelberg, Germany

  2. 4

    Faculty of Veterinary Medicine, Institute of Biochemistry and Endocrinology, Justus-Liebig University Gießen, Gießen, Germany

Author Information

  1. 1

    Institute of Biochemistry, University of Gießen, 35392 Gießen, Germany

  2. 2

    Division of Molecular Biosciences, Imperial College London, London SW7 2AZ, UK

Publication History

  1. Published Online: 13 NOV 2009
  2. Published Print: 11 DEC 2009

ISBN Information

Print ISBN: 9780470016671

Online ISBN: 9780470029619

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Keywords:

  • Automatic peak annotation;
  • Candidate structures;
  • Composition analysis;
  • Cross-ring cleavages;
  • Glycan structure Analysis;
  • Glycosidic cleavages;
  • In-silico fragmentation;
  • Mass spectra

Summary

Mass spectrometry is the main analytical technique currently used to address the challenges of glycomics as it offers unrivalled levels of sensitivity and the ability to analyse complex mixtures of different glycans. Modern MS techniques are capable to produce mass spectra of fragmented carbohydrates which can be exploited to determine the structure of glycan molecules. However, interpretation of mass spectra is still a major bottleneck in high-throughput glycomics projects. The EUROCarbDB initiative intends to overcome this situation by providing two new and freely available analytical software tools for the semi-automatic structure elucidation: Glyco-Peakfinder, a web-tool for composition analysis of glycans and GlycoWorkbench, a software suite for final structure assignment.