Application of phase correction to improve the interpretation of crude oil spectra obtained using 7 T Fourier transform ion cyclotron resonance mass spectrometry

Yunju Cho, Yulin Qi, Peter B. O'Connor, Mark P. Barrow, Sunghwan Kim

Research output: Contribution to journalArticlepeer-review

23 Scopus citations

Abstract

In this study, a phase-correction technique was applied to the study of crude oil spectra obtained using a 7 T Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). 7 T FT-ICR MS had not been widely used for oil analysis due to the lower resolving power compared with high field FT-ICR MS. For low field instruments, usage of data that has not been phase-corrected results in an inability to resolve critical mass splits of C3 and SH4 (3.4 mDa), and 13C and CH (4.5 mDa). This results in incorrect assignments of molecular formulae, and discontinuous double bond equivalents (DBE) and carbon number distributions of S1, S 2, and hydrocarbon classes are obtained. Application of phase correction to the same data, however, improves the reliability of assignments and produces continuous DBE and carbon number distributions. Therefore, this study clearly demonstrates that phase correction improves data analysis and the reliability of assignments of molecular formulae in crude oil anlayses.

Original languageEnglish
Pages (from-to)154-157
Number of pages4
JournalJournal of the American Society for Mass Spectrometry
Volume25
Issue number1
DOIs
StatePublished - Jan 2014

Keywords

  • FT-ICR
  • High resolution mass spectrometry
  • Mass resolving power
  • Petroleum
  • Phase correction

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