title: Degradation products of profenofos as identified by high-field FTICR mass spectrometry: Isotopic fine structure approach.
abstract: This study was performed to identify the degradation products of profenofos "a phenyl organothiophosphate insecticide" in raw water (RW) collected from the entry point of Metropolitan Water Works Authority "Bangkaen, Thailand" and ultrapure water (UPW) with and without TiO2under simulated sunlight irradiation. Degradation of profenofos was followed with ultrahigh performance liquid chromatography (UHPLC) and follows pseudo first-order kinetic. Accordingly, high-field FTICR mass spectrometry coupled to an electrospray ionization source was used to reveal the degradation routes of profenofos and the isotopic fine structures (IFS) elucidations to approve the chemical structures of its degradation products. More degradation products were detected in UPW as compared to RW. Consequently, two main degradation pathways namely (i) interactive replacements of bromine and hydrogen by hydroxyl functional groups and (ii) rupture of PO, PS, CBr and CCl bonds were observed. None interactive replacement of chlorine by hydroxyl functional group was detected. Accordingly, mechanistical pathways of the main degradation products were established.
authors.affiliation: a Department of Chemistry and Center of Excellence for Innovation in Chemistry , Faculty of Science, Kasetsart University , Bangkok , Thailand.|b Department of Chemistry , Faculty of Science and Technology, Suan Dusit Rajabhat University , Bangkok , Thailand.
authors.forename: Dusit
authors.initials: D
authors.lastname: Angthararuk
authors.affiliation: c Research Unit Analytical BioGeoChemistry , Helmholtz Zentrum München , Neuherberg , Germany.|d Chair Analyt Food Chemistry, Technische Universität München , Freising Weihenstephan , Germany.
authors.forename: Mourad
authors.initials: M
authors.lastname: Harir
authors.affiliation: c Research Unit Analytical BioGeoChemistry , Helmholtz Zentrum München , Neuherberg , Germany.|d Chair Analyt Food Chemistry, Technische Universität München , Freising Weihenstephan , Germany.
authors.forename: Philippe
authors.initials: P
authors.lastname: Schmitt-Kopplin
authors.affiliation: e Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science , Ramkhamhaeng University , Bangkok , Thailand.
authors.forename: Somyote
authors.initials: S
authors.lastname: Sutthivaiyakit
authors.affiliation: f Rumbecker Höhe 10 , Arnsberg , Germany.
authors.forename: Antonius
authors.initials: A
authors.lastname: Kettrup
authors.affiliation: a Department of Chemistry and Center of Excellence for Innovation in Chemistry , Faculty of Science, Kasetsart University , Bangkok , Thailand.
authors.forename: Pakawadee
authors.initials: P
authors.lastname: Sutthivaiyakit
mesh_terms: D002853:Chromatography, Liquid / Q000379:methods*; D006863:Hydrogen-Ion Concentration; D007306:Insecticides / Q000032:analysis* / Q000378:metabolism; D007700:Kinetics; D013058:Mass Spectrometry / Q000379:methods*; D063086:Organothiophosphates / Q000032:analysis* / Q000378:metabolism; D010782:Photolysis; D013472:Sunlight; D013785:Thailand; D014025:Titanium / Q000737:chemistry; D014874:Water Pollutants, Chemical / Q000032:analysis*
chemical_list: D007306:Insecticides; D063086:Organothiophosphates; D014874:Water Pollutants, Chemical; C009495:titanium dioxide; C024273:profenofos; D014025:Titanium
keywords: FTICR MS; IFS; Profenofos; degradation products