Software for analysing ion mobility mass spectrometry data to improve peptide identification

Dong Xia, Fawaz Ghali, Simon J. Gaskell, Ronan O'Cualain, Paul F G Sims, Andrew R. Jones

    Research output: Contribution to journalArticlepeer-review


    The development of ion mobility (IM) MS instruments has the capability to provide an added dimension to peptide analysis pipelines in proteomics, but, as yet, there are few software tools available for analysing such data. IM can be used to provide additional separation of parent ions or product ions following fragmentation. In this work, we have created a set of software tools that are capable of converting three dimensional IM data generated from analysis of fragment ions into a variety of formats used in proteomics. We demonstrate that IM can be used to calculate the charge state of a fragment ion, demonstrating the potential to improve peptide identification by excluding non-informative ions from a database search. We also provide preliminary evidence of structural differences between b and y ions for certain peptide sequences but not others. All software tools and data sets are made available in the public domain at. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
    Original languageEnglish
    Pages (from-to)1912-1916
    Number of pages4
    Issue number12
    Publication statusPublished - Jun 2012


    • Bioinformatics
    • Database search
    • Ion mobility
    • Peptide fragmentation
    • Peptide identification


    Dive into the research topics of 'Software for analysing ion mobility mass spectrometry data to improve peptide identification'. Together they form a unique fingerprint.

    Cite this