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DatoValore
TitleIdentification of low molecular weight organic acids by ion chromatography/hybrid quadrupole time-of-flight mass spectrometry during Uniblu-A ozonation
AbstractRATIONALE The balance of organic nitrogen and sulfur during ozonation of organic pollutants often shows a lack of complete mineralization. It follows that polar and ionic by-products are likely to be present that are difficult to identify by liquid chromatography/mass spectrometry (LC/MS). METHODS The structural elucidation of low molecular weight organic acids arising from Uniblu-OH ozonation has been investigated by ion chromatography/electrospray tandem mass spectrometry (IC/ESI-MS/MS) employing a quadrupole time-of-flight mass spectrometer. Unequivocal elemental composition of the by-products was determined by a combination of mass accuracy and high spectral accuracy. RESULTS The employed identification strategy was demonstrated to be a powerful method of unequivocally assigning a single chemical composition to each identified compound. The exact mass measurements of [MH] ions allowed the elemental formulae and related structures of eighteen by-products to be determined confidently. The main degradation pathways were found to be decarboxylation and oxidation. The experimental procedure allowed the identification of both nitrogen- and sulfur-containing organic acid by-products arising from Uniblu-OH ozonation. CONCLUSIONS The obtained results are of environmental relevance for the balance of organic nitrogen and sulfur during the ozonation of organic pollutants due to the lack of complete mineralization of the compounds containing these atoms. Copyright (c) 2012 John Wiley & Sons, Ltd.
SourceRCM. Rapid communications in mass spectrometry 27 (1), pp. 187–199
Keywordsmass spectrometry
JournalRCM. Rapid communications in mass spectrometry
EditorHeyden,, London, Regno Unito
Year2013
TypeArticolo in rivista
DOI10.1002/rcm.6429
AuthorsAmorisco, Apollonia; Locaputo, Vito; Pastore, Carlo; Mascolo, Giuseppe
Text397354 2013 10.1002/rcm.6429 ISI Web of Science WOS 000312536700021 mass spectrometry Identification of low molecular weight organic acids by ion chromatography/hybrid quadrupole time of flight mass spectrometry during Uniblu A ozonation Amorisco, Apollonia; Locaputo, Vito; Pastore, Carlo; Mascolo, Giuseppe CNR RATIONALE The balance of organic nitrogen and sulfur during ozonation of organic pollutants often shows a lack of complete mineralization. It follows that polar and ionic by products are likely to be present that are difficult to identify by liquid chromatography/mass spectrometry LC/MS . METHODS The structural elucidation of low molecular weight organic acids arising from Uniblu OH ozonation has been investigated by ion chromatography/electrospray tandem mass spectrometry IC/ESI MS/MS employing a quadrupole time of flight mass spectrometer. Unequivocal elemental composition of the by products was determined by a combination of mass accuracy and high spectral accuracy. RESULTS The employed identification strategy was demonstrated to be a powerful method of unequivocally assigning a single chemical composition to each identified compound. The exact mass measurements of MH ions allowed the elemental formulae and related structures of eighteen by products to be determined confidently. The main degradation pathways were found to be decarboxylation and oxidation. The experimental procedure allowed the identification of both nitrogen and sulfur containing organic acid by products arising from Uniblu OH ozonation. CONCLUSIONS The obtained results are of environmental relevance for the balance of organic nitrogen and sulfur during the ozonation of organic pollutants due to the lack of complete mineralization of the compounds containing these atoms. Copyright c 2012 John Wiley Sons, Ltd. 27 Published version Articolo in rivista Heyden, 0951 4198 RCM. Rapid communications in mass spectrometry RCM. Rapid communications in mass spectrometry RCM, Rapid commun. mass spectrom. Rapid communications in mass spectrometry RCM, PASTORE CARLO giuseppe.mascolo MASCOLO GIUSEPPE