Analysis of Carbohydrate Fragment Ion Spectra by MALDI TOF/TOF~(TM) Mass Spectrometry and MS/MS Database Searching

摘要

The structural analysis of carbohydrates by mass spectrometry is not routine. While modern MS/MS techniques like high energy CID e.g. on the 4800 PlusMALDI TOF/TOF~(TM) Analyzer provide a wealth of fragment information, data interpretation and structural assignment is challenging due to the high complexity of fragment ion spectra. We present novel software for the interpretation of carbohydrate MS/MS spectra, SimGlycan, which is able to deduce carbohydrate and glycan composition and structure from this data.