GlycoMob: an ion mobility-mass spectrometry collision cross section database for glycomics

Area of Science:

• Analytical Chemistry
• Biochemistry
• Glycoscience

Background:

• Ion mobility mass spectrometry (IM-MS) is an emerging technique in glycomics.
• IM-MS separates glycan ions by collision cross section (CCS), aiding identification through precursor and fragment masses.
• Isomeric oligosaccharides can be resolved and identified using IM-MS based on CCS and fragmentation patterns.

Purpose of the Study:

• To enhance glycan identification confidence and accuracy in glycomics.
• To develop a comprehensive, publicly accessible database of glycan collision cross section (CCS) values.
• To establish a valuable resource for researchers in the field of glycomics.

Main Methods:

• Utilized ion mobility mass spectrometry (IM-MS) for glycan analysis.
• Measured absolute CCS values for various calibration standards, biologically derived N-glycans, and synthetic N-glycans.
• Acquired data for glycans ionized with different adducts in both positive and negative modes.

Main Results:

• Developed GlycoMob, a free online database (http://www.glycomob.org) containing over 900 CCS values for glycans and their fragments.
• Demonstrated the separation and identification of isomeric oligosaccharides using IM-MS.
• Collected CCS data for diverse glycan types under various ionization conditions.

Conclusions:

• Incorporating CCS information into glycan databases and analysis pipelines significantly increases identification accuracy.
• The GlycoMob database serves as a crucial resource for advancing glycomics research.
• Continued updates to the GlycoMob database will further support the glycomics community.