Abstract:
Comprehensive two-dimensional gas chromatography (GC x GC), a highly advanced analytical tool, was used to investigate the chemical composition of the Ixtoc reference oils in order to enable the fingerprinting of oil and the study of weathering patterns of released oil. More specifically, with the use of a GC × GC system coupled to a flame ionization detector and a high-resolution time-of-flight mass spectrometric detector, the types and families of GC-amenable compounds present in these crude oils were characterized and this consisted of the detection of alkylated carbazoles, alkylated sulfur-containing species, and other compounds. This dataset supports the publication: Nelson, R. K., Gosselin, K. M., Hollander, D. J., Murawski, S. A., Gracia, A., Reddy, C. M., & Radović, J. R. (2019). Exploring the complexity of two iconic crude oil spills in the Gulf of Mexico (Ixtoc I and Deepwater Horizon) using comprehensive two-dimensional gas chromatography (GC×GC). Energy & Fuels. doi:10.1021/acs.energyfuels.8b04384
Suggested Citation:
Christopher Reddy. 2019. Dataset for: Exploring the complexity of two iconic crude oil spills in the Gulf of Mexico (Ixtoc I and Deepwater Horizon) using comprehensive two-dimensional gas chromatography (GC×GC). Distributed by: GRIIDC, Harte Research Institute, Texas A&M University–Corpus Christi. doi:10.7266/n7-xx61-4h59
Purpose:
Characterize the chemical composition of the Ixtoc references oils in order to enable the fingerprinting of oil as part of understanding the fate and spreading of the spilled oil, and to study the weathering patterns of the released oil.
Data Parameters and Units:
The dataset contains GC x GC raw data that were used to create figures in the associated manuscript Nelson R. et al., (2019). The figure numbers mentioned here refers to the figures in the manuscript and the supporting information.
The GC×GC-HRT files provided in this dataset (DAT and PEG files) were used to create figures 2, 3, and 4. In particular, figure 2 refers to data in both the Ixtoc I and Deepwater Horizon GC×GC-HRT chromatograms. Figure 3 was produced from data in the Ixtoc I GC×GC-HRT chromatogram. Figure 4 was produced from data in the Ixtoc I GC×GC-HRT chromatogram. Figures S3, S4, S5, S6, S7, S8, S9, S10, S11, S12, S13, S14, S15, S16, S17, S18, S19, S20, S21, S22, S23, S24, S25, S26, and S27 were all produced using data from the Ixtoc I GC×GC-HRT chromatogram.
Note: GC = Gas chromatography, FID = Flame ionization detector, TOF = Time of fight.
Instruments:
An Agilent 6890 GC with a split/splitless auto-injector (7683B series) configuration was used for GC_FID analysis. A Leco system consisting of an Agilent 7890A GC with a split/splitless auto-injector (7683B series) configuration and a dual-stage cryogenic modulator (Leco, Saint Joseph, Michigan) was used for GC × GC−FID and −TOF chromatographic analyses.
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