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Q: Glycomics by MS at high throughput - a reality ?

Hui Gao

Wednesday, 07 May 2008 04:21 UTC

I am not sure that I should post this message here. But how could I get the message out if I felt that it would truely benefit our glycomics community?

In a 2008 paper (Proteomics, 2008, 8, 8-20, Parker et al.), experts in glycomics agree that there is an “urgent requirement for glycan specific databases and informatics”, and “key to the efforts in glycan structure analysis are bioinformatics tools that can rapidly interpret MS data”.

Maybe, such an informatics tool has become available, now.

We are inviting colleagues and experts to evaluate the software, GlycoPro, for automatic, high throughput N-glycan structure determination using MS/MS data of glycopeptides. ( text to link )

The software has an N-glycan structure library with over 140,000 entries based on biosynthetic rules. It’s built-in search engine can search thousands of ion trap MS/MS spectra against the library, assigns the glycan structure identified to each spectrum, and draws an N-glycan fragment picture for each of the MS/MS peaks matched.

Included in the library are structures with modified sugars, such as phosphorylated mannose, sulfated GlcNAc, and mono-, di- and tri-acetylated sialic acid.

While it is far from perfect, it may represent a significant step toward meeting some of the urgent needs of our glycomics community.

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    • The readers of this thread could find interesting to know that version 1.0 of GlycoWorkbench has just been released.

      GlycoWorkbench is a free tool for semi-automatic interpretation of MS data of glycans. GlycoWorkbench is not totally automated but also it is not restricted to mammalian n-glycans.

      With GlycoWorkbench the user can: draw glycan structures in CFG notation and export them in several standard formats
      • compute glycan masses for different type of markers and derivatization
      • find glycan compositions matching the desired mass values
      • find glycan structures in open access databases (CFG, CarbBank, GlycoSciences)
      • find the fragments of the drawn structures matching the mass values
      • annotate a peak list with both intact structures, compositions and fragments
        * load, explore and annotate raw mass spectra from several formats (mzXML, ABI, Bruker, Thermo, Waters)
      • create graphical reports of the annotated spectra similar to those found in the Functional Glycomics pages

      The basic features of the tool are described in a recent publication on the Journal of Proteome Research (link).

      The tool can be freely downloaded from link

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