Abstract:

We compared the detailed molecular analysis of hydrocarbons in oiled sands from Pensacola Beach to the Macondo wellhead oil (MWO) by electrospray (ESI) and atmospheric pressure photoionization (APPI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICRMS) to identify major environmental transformation products of polar, high molecular weight (C>25) “heavy ends” (high-boiling species) inaccessible by gas chromatography. This dataset reports detailed molecular-level data (molecular formulas) of petrogenic species identified from the wellhead oil and Pensacola Beach

Suggested Citation:

Ruddy, Brian. 2016. Dataset for: Targeted Petroleomics: Analytical Investigation of Macondo Well Oil Oxidation Products from Pensacola Beach. Distributed by: GRIIDC, Harte Research Institute, Texas A&M University–Corpus Christi. doi:10.7266/N7NV9G8Q

Publications:

Ruddy, B. M., Huettel, M., Kostka, J. E., Lobodin, V. V., Bythell, B. J., McKenna, A. M., … Rodgers, R. P. (2014). Targeted Petroleomics: Analytical Investigation of Macondo Well Oil Oxidation Products from Pensacola Beach. Energy Fuels, 28(6), 4043–4050. doi:10.1021/ef500427n

Purpose:

To assess the compositional differences between the wellhead oil and that which was isolated post-spill from Pensacola Beach, FL.

Data Parameters and Units:

Detailed molecular-level data (molecular formulas) of petrogenic species identified from the wellhead oil and Pensacola Beach. Kendrick Plot: Relative Abundance; Nominal Mass; KMD C & DBE: Class; Carbon Number; Double Bond Equivalent. Relative Abundance Class Distribution: Class Sum; Class DBE Distribution: Double Bond Equivalent; Relative Abundance; Class Sum. Class C Distribution: Measured Mass; Relative Abundance; Double Bond Equivalent; Double Bond Equivalent Sum; Class Sum. Class Processed: Measured Mass; Relative Abundance; Resolving Power; Kendrick Mass; Nominal Mass; KMD; DBE; DBE Sum; Class Sum; Class; Molecular Formula. Class Data: Class; Relative Abundance; PB (Pensacola Beach); TMAH (Tetramethylammonium hydroxide). S1a: Peak #; 1st Dimension Time (s); 2nd Dimension Time (s); Hit; Area. S2a: Peak #; 1st Dimension Time (s); 2nd Dimension Time (s); Hit; Area. S3a: Peak #; 1st Dimension Time (s); 2nd Dimension Time (s); Hit; Area

Methods:

GCxGC FID, GCxGC-TOF mass spectrometry, (+/-) ESI and (+/-) APPI FT-ICR mass spectrometry, anion exchange chromatography

Instruments:

LECO GCxGC and FT-ICR MS at the National High Magnetic Field Lab. Wellhead sample collected during spill, Pensacola Beach sediment collected June 30th, 2010

Individual Files: