Application of Phase Correction to Improve the Interpretation of Crude Oil Spectra Obtained Using 7 T Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

作者：Cho Yunju; Qi Yulin; O'Connor Peter B; Barrow Mark P; Kim Sunghwan^*

来源：Journal of the American Society for Mass Spectrometry, 2014, 25(1): 154-157.

DOI：10.1007/s13361-013-0747-1

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

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 C-3 and SH4 (3.4 mDa), and C-13 and CH (4.5 mDa). This results in incorrect assignments of molecular formulae, and discontinuous double bond equivalents (DBE) and carbon number distributions of S-1, 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.

• 出版日期2014-1