An Improved Approach for N-linked Glycan Structure Identification from HCD MS/MS Spectra.

Glycosylation is a frequently observed posttranslational modification on proteins. Currently, tandem mass spectrometry (MS/MS) serves as an efficient analytical technique for characterizing structures of oligosaccharides. However, developing effective computational approaches for identifying glycan structures from mass spectra is still a great challenge in glycoproteomics research. In this study, we proposed an approach for matching the input spectra with glycan structures acquired from a glycan structure database by incorporating a de novo sequencing assisted ranking scheme. The proposed approach is implemented as a software tool, GlycoNovoDB, for automated glycan structure identification from HCD MS/MS of glycopeptides. Experimental results showed that GlycoNovoDB can identify glycans effectively and has better performance than our previously proposed de novo sequencing algorithm as well as another software GlycoMaster DB.