title: Characterization of carbonyl by-products during Uniblu-A ozonation by liquid chromatography/hybrid quadrupole time-of-flight/mass spectrometry.
abstract: The structural elucidation of carbonyl-containing by-products arising from Uniblu-OH ozonation has been investigated by liquid chromatography/electrospray ionization tandem mass spectrometry (LC/ESI-MS/MS) employing a quadrupole time-of-flight mass spectrometer. The by-products were derivatized with 2,4-dinitrophenylhydrazine, allowing the formation of [M-H](-) ions of the derivatives in the electrospray source. Exact mass measurements of both the [M-H](-) ions and their product ions allowed the elemental formulae and related structures of ten by-products to be determined confidently. The main degradation pathway were decarboxylation followed by further oxidation. It is noteworthy that the experimental procedure employed allowed the identification of both nitrogen- and sulphur-containing carbonyl by-products during Uniblu-OH ozonation. This result is of environmental relevance for monitoring the balance of organic nitrogen and sulphur during the ozonation of organic pollutants. These atoms, in fact, do not undergo complete mineralization.
authors.affiliation: Istituto di Ricerca Sulle Acque, Consiglio Nazionale delle Ricerche, Viale F. De Blasio 5, 70132 Bari, Italy.
authors.forename: A
authors.initials: A
authors.lastname: Amorisco
authors.forename: V
authors.initials: V
authors.lastname: Locaputo
authors.forename: G
authors.initials: G
authors.lastname: Mascolo
mesh_terms: D000880:Anthraquinones / Q000737:chemistry*; D004396:Coloring Agents / Q000737:chemistry*; D006834:Hydrazines; D007477:Ions; D008970:Molecular Weight; D010084:Oxidation-Reduction; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D013451:Sulfonic Acids / Q000737:chemistry*; D013783:Textile Industry; D014874:Water Pollutants, Chemical
chemical_list: D000880:Anthraquinones; D004396:Coloring Agents; D006834:Hydrazines; D007477:Ions; D013451:Sulfonic Acids; D014874:Water Pollutants, Chemical; C446799:dinitrophenylhydrazine; C096133:uniblue A