Abstract:

Oil samples were placed on pure water and exposed to simulated sunlight. Water soluble organic photoproducts were collected, and molecular formulas were determined by electrospray high resolution mass spectrometry. This dataset contains the observed molecular formulas and their relative abundances in each acquired mass spectrum.

Suggested Citation:

Tarr, Matthew A., et al.. 2016. Macondo Oil Water Soluble Organic Photoproducts. Distributed by: GRIIDC, Harte Research Institute, Texas A&M University–Corpus Christi. doi:10.7266/N78G8HPX

Publications:

Ray, P. Z., Chen, H., Podgorski, D. C., McKenna, A. M., & Tarr, M. A. (2014). Sunlight creates oxygenated species in water-soluble fractions of Deepwater horizon oil. Journal of Hazardous Materials, 280, 636–643. doi:10.1016/j.jhazmat.2014.08.059

Purpose:

To determine the water soluble photoproducts after exposing oil in water to simulated sunlight.

Data Parameters and Units:

ESI Neg_12hr_Dark_Water with oil removed_12hr_Irr_GRIIDC.xls: This file contains data for the water soluble organics irradiated in water with the original oil removed. The acid fraction was analyzed by negative electrospray MS. General: Class; Number of peaks; % Total; % Total (No hits discarded); AMW average: average molecular weight; AW average C#; AW Average DBE: double bond equivalent; AW Average H/C Combined R. Abundances: Class; R. Abundance; AMW Average; AW Average C#; AW Average DBE; AW Average H/C No Hit: % Total; Mass; Relative abundance HC: Mass; Theoretical Mass; Error; Relative Abundance; DBE; Molecular Formula; H/C; AMW Average; AW Average DBE; AW Average C#; AW Average H/C Remaining Worksheets: Mass; Theoretical Mass; Error; Relative abundance; Double bond equivalents (DBE); Molecular formula; AMW Average; AW Average DBE; AW Average C#; AW Average H/C; AW Average O/C; AW Average S/C; H/C; O/C; S/C ESI Neg_DWH_12hr_Dark_NPW - ICR_GRIIDC.xls: This file contains data for the dark sample acid fraction analyzed by negative electrospray MS. General: Class; Number of peaks; % Total; % Total (No hits discarded); AMW average; AW average C#; AW Average DBE; AW Average H/C Combined R. Abundances: Class; R. Abundance; AMW Average; AW Average C#; AW Average DBE; AW Average H/C No Hit: % Total; Mass; Relative abundance HC: Mass; Theoretical Mass; Error; Relative Abundance; DBE; Molecular Formula; H/C; AMW Average; AW Average DBE; AW Average C#; AW Average H/C Remaining Worksheets: Mass; Theoretical Mass; Error; Relative abundance; Double bond equivalents (DBE); Molecular formula; AMW Average; AW Average DBE; AW Average C#; AW Average H/C; AW Average O/C; AW Average S/C; H/C; O/C; S/C ESI Neg_DWH_12hr_Irr_NPW - ICR_GRIIDC.xls: This file contains data for the irradiated sample acid fraction analyzed by negative electrospray MS. General: Class; Number of peaks; % Total; % Total (No hits discarded); AMW average; AW average C#; AW Average DBE; AW Average H/C Combined R. Abundances: Class; R. Abundance; AMW Average; AW Average C#; AW Average DBE; AW Average H/C No Hit: % Total; Mass; Relative abundance HC: Mass; Theoretical Mass; Error; Relative Abundance; DBE; Molecular Formula; H/C; AMW Average; AW Average DBE; AW Average C#; AW Average H/C Remaining Worksheets: Mass; Theoretical Mass; Error; Relative abundance; Double bond equivalents (DBE); Molecular formula; AMW Average; AW Average DBE; AW Average C#; AW Average H/C; AW Average O/C; AW Average S/C; H/C; O/C; S/C The sheets in this file include all identified peaks above the detection limit as well as the matched molecular formulas.

Methods:

Oil from the Macondo well (MC252) was placed on water and equilibrated for one week with stirring. Samples were then irradiated with a solar simulator for 12 h with stirring or kept in the dark. The dose was approximately equal to 3 days of sunlight in the northern Gulf of Mexico. After irradiation, the oil and water were separated. The water was made basic, extracted with dichloromethane to yield the base/neutral fraction, then filtered to remove precipitated metal oxides/hydroxides. The filtered water was then acidified and again extracted with dichloromethane to yield the acid fraction. The dichloromethane extracts were then evaporated to dryness and stored until mass spectral (MS) analysis. Immediately prior to MS analysis, the acid samples were redissolved in toluene/methanol 1/1 and made basic with ammonium hydroxide. Samples were then analyzed by high resolution FTICR MS using electrospray in negative ion mode. Observed m/z values were matched to molecular formulas. Peaks with intensity less than 6 times the standard deviation of the background were excluded. Further assessment of the data is necessary to make any conclusions beyond those reported in J. Haz. Mat., 2014, 280, 636-643.

Individual Files: