Abstract:

Two widely used extraction techniques, liquid/liquid extraction, and solid-phase extraction were applied with styrene-divinylbenzene (SDVB) polymer with a proprietary non-polar surface (Priority Pollutant, PPL), to water-soluble compounds generated through photodegradation and biodegradation of petroleum. The molecular composition of biodegraded and photo-degraded water-soluble organic acids was compared to identify analytical biases and compositional differences in these two widely used fractionation techniques by 21 tesla negative-ion electrospray ionization FT-ICR mass spectrometry (MS). The compositional differences between the two extraction techniques for abiotic and biotic degradation process were highlighted. Toxic species (naphthenic acids) produced through hydrocarbon biodegradation identified by LLE that are not recovered with SPE extraction of the same water sample were identified.

Suggested Citation:

Chen, Huan and Amy McKenna. 2021. Solid phase extraction and liquid/liquid extraction of MC252 water soluble compounds produced by photodegradation and biodegradation characterized by FT-ICR mass spectrometry. Distributed by: GRIIDC, Harte Research Institute, Texas A&M University–Corpus Christi. doi:10.7266/05CXNNY3

Purpose:

To identify compositional differences in acidic species derived from negative-ion ESI 21 T FT-ICR mass spectrometry.

Data Parameters and Units:

Noise std: Standard Deviation of the Baseline Noise Level % R.A.: % Relative Abundance A.M.W. average: Relative Abundance Weighted Average Molecular Weight A.W. average C#: Relative Abundance Weighted Average Carbon Number A.W. average DBE: Relative Abundance Weighted Average Double Bond Equivalents A.W. average H/C: Relative Abundance Weighted Average Hydrogen to Carbon Ratio Sum R.A.: Sum Relative Abundance RMS Error: Root-mean-square Mass Error R. Abundance: Relative Abundance Experimental m/z: Experimental Mass to Charge Ratio Recalibrated m/z: Recalibrated Mass to Charge Ratio Rel. Abundance: Relative Abundance Signal 2 Noise: Signal to Noise Ratio Theor. Mass: Theoretical Mass DBE: Double Bond Equivalence PAH: Polyaromatic Hydrocarbon

Methods:

Gulf of Mexico crude oil (NIST SRM 2779) from the Mississippi Canyon Block 252 (MC 252) was purchased from the National Institute of Standards and Technology (NIST, Gaithersburg, MD, USA). All solvents were HPLC grade from JT Baker Chemical Company (Phillipsburg, PA, USA) and used as received. Bond Elut PPL solid-phase extraction cartridges (1 mg, 1 mL) were obtained from Agilent Technologies (Santa Clara, CA), and biodegraded or photodegraded water-soluble organics derived from Deepwater Horizon. Water-soluble organics derived from microcosms were subjected to an SPE Priority Pollutant (SPE-PPL) extraction method Water-Soluble Organics species were isolated from microcosm samples according to a modified EPA method. Ions were generated at atmospheric pressure via negative ion micro-electrospray and analyzed by negative-ion electrospray 21 T FT-ICR MS.

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