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Exploring Complex Mixtures by Cyclic Ion Mobility High-Resolution Mass Spectrometry: Application Toward Petroleum
Christopher P Rüger1,2,3, Johann Le Maître2,4, Julien Maillard2,5
1Joint Mass Spectrometry Centre (JMSC)/Chair of Analytical Chemistry, University of Rostock, 18059 Rostock, Germany.
Analytical Chemistry
|March 30, 2021
Summary
Cyclic ion mobility coupled with mass spectrometry enhances the analysis of complex organic mixtures. This advanced technique improves resolution, enabling detailed isomeric and isobaric descriptions for petrochemical applications.
Area of Science:
- Analytical Chemistry
- Petrochemistry
- Separation Science
Background:
- Analyzing ultra-complex organic mixtures for isomeric and isobaric details is a significant analytical challenge.
- Ion mobility coupled with high-performance mass spectrometry offers an additional structural dimension but faces limitations in resolving power.
- Commercial devices struggle with isobaric species and complex isomeric patterns, necessitating advanced analytical approaches.
Purpose of the Study:
- To explore the capabilities of cyclic ion mobility high-resolution mass spectrometry for analyzing ultra-complex organic mixtures.
- To enhance the resolution of isobaric interferences and complex isomeric patterns in petrochemical samples.
- To develop a data processing workflow for resolving challenging mass splits.
Main Methods:
- Utilizing quadrupole-selected ion mobility mass spectrometry for detailed isomeric distribution analysis.
- Employing ion mobility dimension slicing to remove isobaric interferences.
- Applying collision-induced dissociation (CID) with multiple passes in a cyclic ion mobility device for structural separation.
- Developing a data processing workflow combining ion mobility and mass spectrometry for high-resolution mass difference analysis.
Main Results:
- Quadrupole-selected ion mobility mass spectrometry provided deeper insights into isomeric distributions.
- Ion mobility dimension slicing significantly reduced isobaric interferences.
- Collision-induced dissociation effectively separated structural groups of polycyclic aromatic hydrocarbons and heterocycles (PAH/PASH).
- A novel data processing workflow successfully resolved the 3.4 mDa SH4/C3 mass split.
Conclusions:
- Cyclic ion mobility high-resolution mass spectrometry offers a powerful approach to address the complexity of ultra-complex organic mixtures.
- Intelligent experimental design and processing routines are crucial for resolving isobaric and isomeric complexities.
- This technique holds significant promise for advanced petrochemical applications requiring detailed mixture analysis.
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