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dc.contributor.authorCastillo Tirado, Ángel
dc.contributor.authorGracia Lor, Emma
dc.contributor.authorRoig-Navarro, Antoni F.
dc.contributor.authorSancho Llopis, Juan Vicente
dc.contributor.authorRodríguez González, Pablo
dc.contributor.authorGarcía Alonso, J. Ignacio
dc.identifier.citationCASTILLO TIRADO, A.; GRACIA LOR, E.; ROIG NAVARRO, A. F.; SANCHO LLOPIS, J. V.; RODRÍGUEZ GONZÁLEZ, P.; GARCÍA ALONSO, J. I. Isotope pattern deconvolution-tandem mass spectrometry for the determination and confirmation of diclofenac in wastewaters. Analytica Chimica Acta, v. 765 (2013), p. 77– 85ca_CA
dc.description.abstractIsotope dilution mass spectrometry (IDMS) based on isotope pattern deconvolution (IPD) has been applied here to MS/MS (QqQ) in order to carry out the quantification and confirmation of organic compounds in complex matrix water samples without the use of a methodological IDMS calibration graph. In this alternative approach, the isotope composition of the spiked sample is measured after fragmentation by SRM and deconvoluted into its constituting components (molar fractions of natural abundance and labeled compound) by multiple linear regression (IPD). The procedure has been evaluated for the determination of the pharmaceutical diclofenac in effluent and influent urban wastewaters and fortified surface waters by UHPLC (ESI) MS/MS using diclofenac-d4 as labeled compound. Calculations were performed acquiring a part and the whole fragment cluster ion, achieving in all cases recoveries within 90–110% and coefficients of variation below 5% for all water samples tested. In addition, potential false negatives arising from the presence of diclofenac-d2 impurities in the labeled compound were avoided when the proposed approach was used instead of the most usual IDMS calibration procedure. The number of SRM transitions measured was minimized to three to make possible the application of this alternative technique in routine multi-residue analysis.ca_CA
dc.format.extent9 p.ca_CA
dc.relation.isPartOfAnalytica Chimica Acta, n. 765 (2013)ca_CA
dc.subjectIsotope pattern deconvolutionca_CA
dc.subjectTandem mass spectrometryca_CA
dc.subjectIsotope dilution massca_CA
dc.titleIsotope pattern deconvolution-tandem mass spectrometry for the determination and confirmation of diclofenac in wastewatersca_CA

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