Presentation Profile
An Example of Hybrid: UHRMS and Software Data Processing for Crude Oil Fractionation
Currently Scheduled: 10/15/2019 - 8:00 AM - 8:20 AM
Room: Hibiscus Room
Main Author
Junho Jeon - Dow Inc.
- Tony Gies - Dow Inc.
- Bill Winniford - Dow Inc.
- Praveenkumar Boopalachandran - Dow Inc.
- Daniel Baugh - Dow Inc.
- Anna Leal - Dow Inc.
Abstract:
Ultra-high resolution mass spectrometry (UHRMS) has been reshaping the fundamentals of characterization in highly complex mixture analysis. The measurement of m/z with high resolving power unambiguously determines molecular formulae and isotopic signatures of unknowns within few ppm level mass accuracy. However, the increase of confidence level in this new technique requires cross-validation with conventional methods to evaluate the identification accurately. The characterization of crude oil fractionation using the combination of Orbitrap FUSION LUMOS and PETROORG software package presents an example of this type of analysis. Due to the nature of the sample complexity, the measurement of N, O, & S and any possible combined species was a major goal along with the distributions in selected m/z ranges using von Krevelen plot and Kendrick plots for the visualization of differences. Also, assisted by elemental analysis, NMR, MS/MS and FTIR, the result provided the correlation between the scan mode MS data and the composition of heterogeneous species. This approach enables quick turn-around and insights of structure and physical/chemical properties from a single sample run in time-efficient way.
