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Updated: Jun 3, 2026

On-line Analysis of Nitrogen Containing Compounds in Complex Hydrocarbon Matrixes
Published on: August 5, 2016
Petroleomics: advanced molecular probe for petroleum heavy ends
Chang S Hsu1, Christopher L Hendrickson, Ryan P Rodgers
1Future Fuels Institute, Florida State University, Tallahassee, FL 32306, USA. hsu@magnet.fsu.edu
Ultra high-resolution mass spectrometry, specifically Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), is crucial for analyzing complex petroleum heavy ends at the molecular level. This advanced technique achieves exceptional resolving power and mass accuracy, enabling detailed compositional analysis.
Area of Science:
- Petroleum chemistry
- Analytical chemistry
- Mass spectrometry
Background:
- Petroleum heavy ends (heavy oils, residua, asphaltenes) are complex mixtures requiring molecular-level analysis.
- Ultra-high resolution mass spectrometry is essential for resolving overlapping components in these mixtures.
Purpose of the Study:
- To demonstrate the capability of FT-ICR MS for detailed molecular analysis of petroleum heavy ends.
- To highlight the advancements in resolving power and mass accuracy for complex sample analysis.
Main Methods:
- Utilized Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) with soft ionization and liquid chromatography.
- Achieved resolving power > 50,000, routinely 1,000,000 at 400 Da.
- Applied phase correction to enhance resolving power and mass accuracy.
Main Results:
- Identified 5,000-30,000 species per spectrum with 30-500 ppb mass accuracy.
- Resolved ionic species differing by as little as 548 µDa (one electron mass).
- Generated a database of over 100,000 components with diverse elemental compositions.
Conclusions:
- FT-ICR MS provides unprecedented molecular-level insights into petroleum heavy ends.
- Advancements in FT-ICR MS significantly improve the analysis of complex hydrocarbon mixtures.
- The developed methods and database facilitate comprehensive characterization of petroleum components.
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