GlycoSearchMS

GlycoSearchMS identifies glycans by matching measured mass spectra peak values to theoretical glycan fragments to support structural interpretation of glycans from mass spectrometry.

Key Features:

• Mass Spectrum Analysis: Accepts mass spectra peak values and performs detailed comparisons with theoretical glycan fragments.
• Database Integration: Integrates with the SweetDB database of glycan structures and its pre-calculated fragments for spectrum-to-structure matching.
• Efficient Algorithms: Utilizes efficient algorithms to process large series of mass spectra automatically for high-throughput glycan identification.

Scientific Applications:

• Glycan Identification: Enables high-sensitivity identification of complex carbohydrates (glycans) for studies of glycosylation processes.
• Mass Spectra Interpretation Support: Provides systematic interpretation of mass spectra to derive glycan structural information relevant to immunology, oncology, and infectious disease research.

Methodology:

Calculates all theoretically possible fragments of complex carbohydrates, compares these calculated fragments with each peak from an input mass spectrum, and ranks best-matching spectra and associated structures by decreasing similarity.