title: Prediction of collision-induced dissociation spectra of common N-glycopeptides for glycoform identification.
abstract: Confident identification of the glycan moieties in glycopeptides by collision-induced dissociation (CID) requires accurate prediction of the CID spectrum of the glycopeptides. In this Article, the kinetic model for the prediction of peptide CID spectra is extended to predict the CID spectra of N-glycopeptides. The model was trained with 1831 ion-trap CID spectra of N-glycopeptides and is able to predict ion-trap CID spectra with excellent accuracy in ion intensities for N-glycopeptides up to 8000 u in mass. A total of 524 common glycoforms including complex N-glycans with 2-4 antennas, plus high-mannose type and hybrid type, can be predicted.
authors.affiliation: Process and Product Development, Amgen Inc., One Amgen Center Drive, Thousand Oaks, California 91320, United States. zzhang@amgen.com
authors.forename: Zhongqi
authors.initials: Z
authors.lastname: Zhang
authors.forename: Bhavana
authors.initials: B
authors.lastname: Shah
mesh_terms: D006020:Glycopeptides / Q000032:analysis*; D007700:Kinetics; D037102:Lectins / Q000032:analysis; D008970:Molecular Weight; D011134:Polysaccharides / Q000032:analysis*; D013057:Spectrum Analysis / Q000379:methods*
chemical_list: D006020:Glycopeptides; D037102:Lectins; D011134:Polysaccharides