eng URI http://hdl.handle.net/10795/3064 wastewater water pollutant An integrated workflow based on liquid chromatography coupled to a quadrupole-time-of-flight mass spectrometer (LC-QTOF-MS) was developed and applied to detect and identify suspect and unknown contaminants in Greek wastewater. Tentative identifications were initially based on mass accuracy, isotopic pattern, plausibility of the chromatographic retention time and MS/MS spectral interpretation (comparison with spectral libraries, in silico fragmentation). Moreover, new specific strategies for the identification of metabolites were applied to obtain extra confidence including the comparison of diurnal and/or weekly concentration trends of the metabolite and parent compounds and the complementary use of HILIC. Thirteen of 284 predicted and literature metabolites of selected pharmaceuticals and nicotine were tentatively identified in influent samples from Athens and seven were finally confirmed with reference standards. Thirty four nontarget compounds were tentatively identified, four were also confirmed. The sulfonated surfactant diglycol ether sulfate was identified along with others in the homologous series (SO4C2H4(OC2H4)xOH), which have not been previously reported in wastewater. As many surfactants were originally found as nontargets, these compounds were studied in detail through retrospective analysis 9 pp. LOMv1.0 creator LOMv1.0subject matter expert LOMv1.0 publisher LOMv1.0 Project Final Beneficiary LOMv1.0 Project Executing Organisation 2015-09-29 Digital Library of the Operational Programme "Education and Lifelong Learning" abstract types Text Liquid chromatography Mass spectrometry wastewater contaminants metabolites Emerging pollutant 530665 application/pdf http://repository.edulll.gr/edulll/bitstream/10795/3064/2/3064_211E%235JU.pdf URI http://hdl.handle.net/10795/3064 LOMv1.0creator 2016-05-09T11:13:26Z LOMv1.0validator 2016-05-09T11:13:26Z LOMv1.0 gre no no Copyright EYD-EPEDBM (Operational Programme "Education and Lifelong Learning")