UniCarb-DB: An MS/MS Experimental Glycomic Fragmentation Database
碎片(计算)
数据库
计算机科学
化学
操作系统
作者
Chunsheng Jin,Vignesh Venkatakrishnan,Kristina A. Thomsson,Nobuyuki P. Aoki,Daisuke Shinmachi,Kiyoko F. Aoki‐Kinoshita,Catherine Hayes,Frédérique Lisacek,Niclas G. Karlsson
出处
期刊:Methods in molecular biology日期:2024-01-01卷期号:: 77-96
Glycosylation is a unique posttranslational modification that dynamically shapes the surface of cells. Glycans attached to proteins or lipids in a cell or tissue are studied as a whole and collectively designated as a glycome. UniCarb-DB is a glycomic spectral library of tandem mass spectrometry (MS/MS) fragment data. The current version of the database consists of over 1500 entries and over 1000 unique structures. Each entry contains parent ion information with associated MS/MS spectra, metadata about the original publication, experimental conditions, and biological origin. Each structure is also associated with the GlyTouCan glycan structure repository allowing easy access to other glycomic resources. The database can be directly utilized by mass spectrometry (MS) experimentalists through the conversion of data generated by MS into structural information. Flexible online search tools along with a downloadable version of the database are easily incorporated in either commercial or open-access MS software. This chapter highlights UniCarb-DB online search tool to browse differences of isomeric structures between spectra, a peak matching search between user-generated MS/MS spectra and spectra stored in UniCarb-DB and more advanced MS tools for combined quantitative and qualitative glycomics.