Petroleomics: Advanced molecular probe for petroleum heavy ends

摘要

To look into complex mixtures of petroleum heavy ends at the molecular level, ultra high-resolution mass spectrometry, i.e. resolving power > 50 000, is needed to resolve overlapping components for accurate determination of molecular composition of individual components. Recent progress in Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) incorporated with soft ionization techniques adaptable to liquid chromatography enables analysis of petroleum high ends, i.e., heavy oils, residua and asphaltenes. FT-ICR MS at the Future Fuels Institute of Florida State University and the National High Magnetic Field Laboratory (NHMFL) routinely provides 1 000 000 resolving power at 400 Da, with root mean square (rms) mass measurement accuracy between 30 and 500 ppb for 5000-30 000 identified species in a single mass spectrum. Phase correction of the detected ion signal increases resolving power 40-100%, improving mass accuracy up to twofold. Overlapping ionic species that differ in mass by as little as one electron mass (548 ?μDa) can be resolved. A database of more than 100 000 components of different elemental composition has been generated at NHMFL.