Molecular characterization of petroporphyrins in crude oil by electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry

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Abstract

Petroporphyrin compositional analysis of a heavy crude oil has been realized by isolation and subsequent ESI-FT-ICR mass spectrometric analysis of the porphyrin-containing fractions. Vanadium octaethyl (V=O(II)OEP) and nickel octaethyl (Ni(II)OEP) porphyrin standards were analyzed to determine favorable electrospray ionization conditions and provide insight as to the molecular species present (e.g., adducts, multimers). Standard V=O(II)OEP and Ni(II)OEP solutions revealed the presence of both monomer and dimer species with a greater relative abundance of monomers. In contrast, mass spectral analysis of a porphyrin fraction from Cerro Negro crude oil was dominated by dimeric species. MS3 analysis identified a dioctylphthalate (DOP) contaminant, likely introduced during fractionation of the crude oil. DOP-porphyrin complexes and porphyrin-porphyrin dimers were then identified. Infrared multiphoton dissociation (IRMPD) of dimeric species produced the corresponding monomers with minimal fragmentation. The monomeric petroporphyrins were analyzed to reveal the metal (Ni(II) or V=O(II)), porphyrin type (e.g., etio vs. DPEP), and distribution of alkylation.

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Keywords

  • Electrospray ionization
  • Fourier transform
  • FT-ICR
  • FTMS
  • ICR
  • Ion cyclotron resonance
  • Mass spectrometry
  • Petroleum
  • Petroporphyrin
  • Porphyrin

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Molecular characterization of petroporphyrins in crude oil by electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry. / Rodgers, R. P.; Hendrickson, C. L.; Emmett, Mark; Marshall, A. G.; Greaney, M.; Qian, K.

In: Canadian Journal of Chemistry, Vol. 79, No. 5-6, 2001, p. 546-551.

Research output: Contribution to journalArticle