Abstract:

The data are for the lab-based photo-oxidation of Macondo well oil (standard reference material SRM 2779) purchased from the National Institute of Standards and Technology (NIST, Gaithersburg, MD). After photo-oxidation, the modified oil was isolated and fractionated into interfacially active and interfacially non-active fractions. The water-soluble species were also isolated. All fractions were analyzed by Negative ESI FT-ICR mass spectrometry. This dataset supports the publication to be submitted by Chen, Huan, Amy M. McKenna, Sydney F. Niles, Joseph W. Frye, Taylor J. Glattke, and Ryan P. Rodgers. Time-dependent Molecular Progression and Acute Toxicity of Oil-soluble, Interfacially-active, and Water-soluble Species Reveals their Rapid Formation in the Photodegradation of Macondo Well Oil.

Suggested Citation:

Chen, Huan and Ryan Rodgers. 2021. Microcosm: Time-dependent molecular progression of oil-soluble, interfacially-active, and water-soluble species formed by the photodegradation of Macondo well oil. Distributed by: GRIIDC, Harte Research Institute, Texas A&M University–Corpus Christi. doi:10.7266/F30JSDGR

Publications:

Chen, H., McKenna, A. M., Niles, S. F., Frye, J. W., Glattke, T. J., & Rodgers, R. P. (2022). Time-dependent molecular progression and acute toxicity of oil-soluble, interfacially-active, and water-soluble species reveals their rapid formation in the photodegradation of Macondo Well Oil. Science of The Total Environment, 813, 151884. https://doi.org/10.1016/j.scitotenv.2021.151884

Purpose:

Track photogenerated acidic oil species via photodegradation from 1 h to 120 h for all 3 of the previously identified fractions: oil-soluble, oil-soluble but interfacially-active, and finally, water-soluble species.

Data Parameters and Units:

Measured molecular weight, assigned elemental compositions, and fraction type (water soluble, oil soluble, interfacial Material)

Methods:

Each oil sample was dissolved in toluene (1 mg/mL) that was further diluted to 250 µg/mL in 50:50 toluene/methanol (MeOH) (by volume). IM fractions were reconstituted in dichloromethane (DCM) and further diluted to 250 µg/mL in 50:50 DCM/MeOH. WSO concentrations were adjusted with MeOH to a final concentration of 100 µg of C/mL without additional modification. Oil and IM samples were spiked with 0.125% (by volume) tetramethylammonium hydroxide (TMAH, 25% by weight in MeOH) to facilitate deprotonation. Samples were analyzed on a custom-built FT-ICR MS equipped with a 9.4 Tesla superconducting solenoid magnet.

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