Software for Peak Finding and Elemental Composition Assignment for Glycosaminoglycan Tandem Mass Spectra.

ABSTRACT: Glycosaminoglycans (GAGs) covalently linked to proteoglycans (PGs) are characterized by repeating disaccharide units and variable sulfation patterns along the chain. GAG length and sulfation patterns impact disease etiology, cellular signaling, and structural support for cells. We and others have demonstrated the usefulness of tandem mass spectrometry (MS²) for assigning the structures of GAG saccharides; however, manual interpretation of tandem mass spectra is time-consuming, so computational methods must be employed. In the proteomics domain, the identification of monoisotopic peaks and charge states relies on algorithms that use averagine, or the average building block of the compound class being analyzed. Although these methods perform well for protein and peptide spectra, t

SUBMITTER: Hogan JD 

PROVIDER: S-EPMC6030731 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature