title: Analysis of hydraulic fracturing additives by LC/Q-TOF-MS.
abstract: The chemical additives used in fracturing fluids can be used as tracers of water contamination caused by hydraulic fracturing operations. For this purpose, a complete chemical characterization is necessary using advanced analytical techniques. Liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (LC/Q-TOF-MS) was used to identify chemical additives present in flowback and produced waters. Accurate mass measurements of main ions and fragments were used to characterize the major components of fracking fluids. Sodium adducts turned out to be the main molecular adduct ions detected for some additives due to oxygen-rich structures. Among the classes of chemical components analyzed by mass spectrometry include gels (guar gum), biocides (glutaraldehyde and alkyl dimethyl benzyl ammonium chloride), and surfactants (cocamidopropyl dimethylamines, cocamidopropyl hydroxysultaines, and cocamidopropyl derivatives). The capabilities of accurate mass and MS-MS fragmentation are explored for the unequivocal identification of these compounds. A special emphasis is given to the mass spectrometry elucidation approaches used to identify a major class of hydraulic fracturing compounds, surfactants.
authors.affiliation: Center for Environmental Mass Spectrometry, University of Colorado, 1111 Engineering Drive, ECOT 441, 428 UC, Boulder, CO, 80309, USA, imma.ferrer@colorado.edu.
authors.forename: Imma
authors.initials: I
authors.lastname: Ferrer
authors.forename: E Michael
authors.initials: EM
authors.lastname: Thurman
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D013058:Mass Spectrometry / Q000379:methods*; D014873:Water Pollutants / Q000032:analysis*
chemical_list: D014873:Water Pollutants