Recommendations for reporting ion mobility Mass Spectrometry measurements

Area of Science:

• Analytical Chemistry
• Physical Chemistry
• Spectrometry

Background:

• Ion mobility mass spectrometry (IM-MS) is a powerful technique for analyzing ions in the gas phase.
• Standardized reporting of IM-MS data is crucial for reproducibility and data sharing.
• Existing methods and reporting practices can lead to confusion and method-dependent results.

Purpose of the Study:

• To provide a comprehensive guide to ion mobility mass spectrometry experiments, covering linear and nonlinear methods.
• To clarify fundamental concepts and reporting recommendations for mobility and collision cross section (CCS) values.
• To promote confident reuse of IM-MS data through standardized reporting.

Main Methods:

• Detailed explanation of what is measured in IM-MS experiments.
• Description of how linear and nonlinear IM-MS measurements are performed.
• Guidance on reporting mobility (K0) and CCS values, including uncertainties.

Main Results:

• Mobility values (K0) are intrinsically dependent on ion structure, bath gas, temperature, and E/N.
• Collision cross section (CCS) values are derived from mobility, not direct surface measurements.
• Calibrated methods can be empirical and method-dependent if not aligned with primary methods.

Conclusions:

• Accurate reporting of IM-MS data is essential for reliable interpretation and reuse.
• There is an urgent need for community-wide efforts to establish primary standards and reference materials for ion mobility.
• Implementing the recommended reporting practices will improve the quality and comparability of IM-MS results.