Compositional characterization of petroleum by ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry with multiple ionization sources

PETR 167

Alan G. Marshall, marshall@magnet.fsu.edu1, Do-Gyun Kim1, Geoffrey C. Klein, gklein@chem.fsu.edu2, Lateefah A. Stanford3, Jeremiah M Purcell, jpurcell@magnet.fsu.edu4, Tanner M Schaub, schaub@magnet.fsu.edu1, Donald F. Smith, dsmith@magnet.fsu.edu1, Christopher L. Hendrickson, hendrick@magnet.fsu.edu1, and Ryan P. Rodgers, rodgers@magnet.fsu.edu1. (1) Ion Cyclotron Resonance Program, National High Magnetic Field Laboratory, 1800 East Paul Dirac Drive, Florida State University, Tallahassee, FL 32310-4005, (2) Ion Cyclotron Resonance Program, National High Magnetic Feild Laboratory, Florida State University, 1800 E. Paul Dirac Dr, Tallahassee, FL 32310, (3) Department of Chemistry and Biochemistry, Florida State University, National High Magnetic Field Lab, 1800 E. Paul Dirac Dr, Tallahassee, FL 32310, (4) Ion Cyclotron Resonance Program, Florida State University, National High Magnetic Field Laboratory, 1800 East Paul Dirac Drive, Tallahassee, FL 32310
"Petroleomics" denotes the correlation (and ultimately prediction) of the properties and behavior of petroleum-based mixtures, based on their detailed chemical composition. Elemental composition may be determined by accurate mass measurements derived from ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). However, no single means can efficiently ionize all of the kinds of neutral molecules found in petroleum. Electron ionization (EI) is suitable for most volatiles except for saturated hydrocarbons, which tend to fragment on ionization. Positive-ion and negative-ion electrospray ionization (ESI) are optimal for ionization of basic (e.g., pyridinic) and acidic (e.g., pyrollic) polar species, but not hydrocarbons or low-polarity neutrals (e.g., thiophenes, furans, polycyclic aromatic hydrocarbonds). Field desorption (FD) and atmospheric pressure photoionization (APPI) can ionize all but saturates. Here, we report representative applications of each of the above ionization methods for characterization of petroleum fractions ranging from vacuum gas oils to asphaltenes.
 

Characterization, On-Line Monitoring, and Sensing of Petroleums and Petrochemicals
1:30 PM-4:30 PM, Thursday, 14 September 2006 Palace -- Telegraph Hill, Oral

Division of Petroleum Chemistry

The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006