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Ion mobility resolved photo-fragmentation to discriminate protomers
Chang Min Choi1, Alexander Kulesza2, Steven Daly2
1Mass Spectrometry and Advanced Instrumentation Research Group, Div. of Scientific Instrumentation, Korea Basic Science Institute, Cheongju, Republic of Korea.
Rapid Communications in Mass Spectrometry : RCM
|June 10, 2018
Summary
Protonation state significantly impacts biomolecular ion fragmentation. Combining photo-fragmentation and ion mobility spectrometry (IMS) helps identify co-existing protomers in gas-phase analysis, aiding structural interpretation.
Area of Science:
- Structural biology
- Mass spectrometry
- Biophysics
Background:
- Interpreting gas-phase biomolecular ion structures is challenging due to factors like protomer co-existence.
- Understanding structural diversity is crucial for accurate biomolecular analysis.
Purpose of the Study:
- To investigate the influence of protonation state on gas-phase photo-fragmentation.
- To assess the sensitivity of ion mobility spectrometry (IMS) to conformational changes in biomolecular ions.
Main Methods:
- Utilized gas-phase photo-fragmentation and IMS on a model peptide.
- Employed tandem IMS to probe interconversion pathways between conformers.
- Analyzed excitation coupling via photo-fragmentation of mobility-selected ions.
- Interpreted data using molecular dynamics simulations.
Main Results:
- Protonation state significantly alters photo-fragmentation yields.
- Conformers with similar collision cross sections (CCSs) can exhibit distinct fragmentation patterns based on protonation.
- Demonstrated sensitivity of fragmentation to protonation patterns.
Conclusions:
- Photo-fragmentation combined with IMS can identify co-existing protomers in gas-phase biomolecular ion populations.
- This approach aids structural assignment, even for complex assemblies.
- Spectroscopic data are valuable for monitoring conformational changes.
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