Dataset for: Trace analysis of surfactants in Corexit oil dispersant formulations and seawater: Analytical laboratory method data for detecting surfactants and standard NMR spectra

We developed a quantitative analytical method to detect four classes of surfactants, and the enantiomeric mixture of α- and β-ethylhexyl sulfosuccinate (α-/β-EHSS). The enantiomeric mixture of α-/β-EHSS is the hydrolysis product of bis-(2-ethylhexyl) sulfosuccinate (DOSS) The four surfactants studied were DOSS, Span 80, Tween 80, and Tween 85. These surfactants were used to study long term stability at a single temperature, short term stability at 3 temperatures, matrix effects, and recovery after filtration. Results were generated through sample analysis using liquid-chromatography tandem mass spectrometry (LC-MS/MS). These results are presented in the related paper: Place, B. J., Perkins, M. J., Sinclair, E., Barsamian, A. L., Blakemore, P. R., and Field, J. A. (2014). Trace analysis of surfactants in Corexit oil dispersant formulations and seawater. Deep Sea Research Part II: Topical Studies in Oceanography. doi:10.1016/j.dsr2.2014.01.015. The results of seawater analysis for surfactants are presented in the related dataset R1.x132.134:0036. [13C]4-α-EHSS and [13C]4-β-EHSS were synthesized in the lab due to their potential use as analytical standards and their constitutional isomers were analyzed using Nuclear Magnetic Resonance (NMR) spectroscopy in Fourier transform mode using 5 mm diameter tubes. 1H and 13C NMR spectra for the constitutional isomers of 13C EHSS (Sodium [13C]4-1-carboxy-2-(2-ethylhexyloxycarbonyl)ethanesulfonate (α-EHSS) and sodium [13C]4-2-carboxy-1-(2-ethylhexyloxycarbonyl)ethanesulfonate (β-EHSS) are provided in this dataset, as described in the paper: Barsamian, A. L., Perkins, M. J., Field, J. A., and Blakemore, P. R. (2014). Regioselective syntheses of [13C] 4 labelled sodium 1-carboxy-2(2-ethylhexyloxycarbonyl)ethanesulfonate and sodium 2-carboxy-1-(2-ethylhexyloxycarbonyl)ethanesulfonate from [13C] 4-maleic anhydride . Journal of Labelled Compounds and Radiopharmaceuticals, 57(5), 397–401. doi:10.1002/jlcr.3189