GlycoFragment and GlycoSearchMS: web tools to support the interpretation of mass spectra of complex carbohydrates
German Cancer Research Center, Central Spectroscopic Department B090, Im Neuenheimer Feld 280, D-69120 Heidelberg, Germany
* To whom correspondence should be addressed. Tel: +49 6221 424670; Fax: +49 6221 424554; Email: k.lohmann{at}dkfz.de
Correspondence may also be addressed to Claus-W. von der Lieth. Email: w.vonderlieth{at}dkfz.de
The authors wish it to be known that, in their opinion, both authors should be regarded as joint First Authors
Received February 15, 2004; Revised March 15, 2004; Accepted March 24, 2004
In recent years, mass spectrometry has become the method of choice for high-sensitivity glycan identification. Currently, only a few tools assisting mass spectra interpretation are available. The web application GlycoFragment (www.dkfz.de/spec/projekte/fragments/) calculates all theoretically possible fragments of complex carbohydrates and aims to support the interpretation of mass spectra. GlycoSearchMS (www.dkfz.de/spec/glycosciences.de/sweetdb/ms/) compares each peak of a measured mass spectrum with the calculated fragments of all structures contained in the SweetDB database. The best-matching spectra and the associated structures are displayed in order of decreasing similarity. Since both algorithms work very efficiently, they are well suited to be used for automatic identification of series of mass spectra of complex carbohydrates.
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