title: Simultaneous determination of 20 trace organic chemicals in waters by solid-phase extraction (SPE) with triple-quadrupole mass spectrometer (QqQ-MS) and hybrid quadrupole Orbitrap high resolution MS (Q-Orbitrap-HRMS).
abstract: A sensitive method for simultaneous determination of 20 trace organic chemicals (TOrCs, including preservatives, antioxidants, disinfectants, oestrogens, alkyl-phenols and bisphenol-A) in surface water and wastewater has been developed and validated based on the optimisation of solid-phase extraction (SPE) followed by liquid chromatography-mass spectrometry (LC-MS) analysis. 500 mL acidified (pH = 2.5) water samples were pre-concentrated by Supel-Select HLB cartridge (200 mg, 6 mL) and eluted with 12 mL mixture of acetonitrile and ethyl acetate (50:50, v/v). This optimised SPE procedure could provide >75% recoveries for the majority of TOrCs. The instrumental methods were developed using two different LC-MS systems: a triple-quadrupole MS (QqQ-MS) and a hybrid quadrupole Orbitrap high resolution MS (Q-Orbitrap-HRMS). Both showed good performance data, but the former system provided better linearity and method precision, with the latter system providing 2-33 times lower detection limits. Different matrix effects were observed for both systems: No remarkable matrix effects were observed for Q-Orbitrap-HRMS but significant matrix effects were found in influent and river water samples for the QqQ-MS. This analytical method was subsequently employed to analyse the TOrCs in river waters and wastewaters from China successfully, which confirmed its applicability to environmental samples.
authors: Lancaster Environment Centre, Lancaster University, Lancaster, LA1 4YQ, UK.
authors: Wei
authors: W
authors: Chen
authors: State Key Laboratory of Biogeology and Environmental Geology & School of Environmental Studies, China University of Geosciences (CUG), Wuhan, 430074, China.
authors: Huanfang
authors: H
authors: Huang
authors: Lancaster Environment Centre, Lancaster University, Lancaster, LA1 4YQ, UK.
authors: Chang-Er
authors: CE
authors: Chen
authors: State Key Laboratory of Biogeology and Environmental Geology & School of Environmental Studies, China University of Geosciences (CUG), Wuhan, 430074, China.
authors: Shihua
authors: S
authors: Qi
authors: Safety and Environmental Assurance Centre, Unilever, Sharnbrook, MK44 1LQ, UK.
authors: Oliver R
authors: OR
authors: Price
authors: Lancaster Environment Centre, Lancaster University, Lancaster, LA1 4YQ, UK.
authors: Hao
authors: H
authors: Zhang
authors: Lancaster Environment Centre, Lancaster University, Lancaster, LA1 4YQ, UK.
authors: Kevin C
authors: KC
authors: Jones
authors: Lancaster Environment Centre, Lancaster University, Lancaster, LA1 4YQ, UK. Electronic address: a.sweetman@lancaster.ac.uk.
authors: Andrew J
authors: AJ
authors: Sweetman
mesh_terms: D000975:Antioxidants / Q000032:analysis; D001559:Benzhydryl Compounds / Q000032:analysis; D002681:China; D002853:Chromatography, Liquid / Q000379:methods; D004202:Disinfectants / Q000032:analysis; D004784:Environmental Monitoring / Q000379:methods*; D004967:Estrogens / Q000032:analysis; D057230:Limit of Detection; D009930:Organic Chemicals / Q000032:analysis*; D010636:Phenols / Q000032:analysis; D052616:Solid Phase Extraction / Q000379:methods*; D053719:Tandem Mass Spectrometry / Q000379:methods; D062065:Wastewater / Q000032:analysis* / Q000737:chemistry; D014867:Water / Q000032:analysis* / Q000737:chemistry; D014874:Water Pollutants, Chemical / Q000032:analysis*; D000098826:Bisphenol A Compounds
chemical_list: D000975:Antioxidants; D001559:Benzhydryl Compounds; D004202:Disinfectants; D004967:Estrogens; D009930:Organic Chemicals; D010636:Phenols; D062065:Wastewater; D014867:Water; D014874:Water Pollutants, Chemical; C006780:bisphenol A; D000098826:Bisphenol A Compounds
keywords: Liquid chromatography-high resolution MS (LC-HRMS); Liquid chromatography-tandem mass spectrometry (LC-MS/MS); Surface water; Trace organic chemicals (TOrCs); Wastewater