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Petroleomics: advanced molecular probe for petroleum heavy ends
Author(s) -
Hsu Chang S.,
Hendrickson Christopher L.,
Rodgers Ryan P.,
McKenna Amy M.,
Marshall Alan G.
Publication year - 2011
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/jms.1893
Subject(s) - chemistry , petroleum , organic chemistry
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. Copyright © 2011 John Wiley & Sons, Ltd.