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dc.contributor.authorPortolés Nicolau, Tania
dc.contributor.authorMol, Johannes G. J.
dc.contributor.authorSancho Llopis, Juan Vicente
dc.contributor.authorLópez Benet, Francisco José
dc.contributor.authorHernández Hernández, Félix
dc.date.accessioned2015-07-02T07:38:36Z
dc.date.available2015-07-02T07:38:36Z
dc.date.issued2014-08-01
dc.identifier.citationPORTOLÉS NICOLAU, T...[et al.]. Validation of a qualitative screening method for pesticides in fruits and vegetables by gas chromatography quadrupole-time of flight mass spectrometry with atmospheric pressure chemical ionization. Analytica Chimica Acta, v. 838 (August 2014), pp. 76–85ca_CA
dc.identifier.urihttp://hdl.handle.net/10234/125864
dc.description.abstractA wide-scope screening method was developed for the detection of pesticides in fruit and vegetables. The method was based on gas chromatography coupled to a hybrid quadrupole time-of-flight mass spectrometer with an atmospheric pressure chemical ionization source (GC-(APCI)QTOF MS). A non-target acquisition was performed through two alternating scan events: one at low collision energy and another at a higher collision energy ramp (MSE). In this way, both protonated molecule and/or molecular ion together with fragment ions were obtained in a single run. Validation was performed according to SANCO/12571/2013 by analysing 20 samples (10 different commodities in duplicate), fortified with a test set of 132 pesticides at 0.01, 0.05 and 0.20 mg kg−1. For screening, the detection was based on one diagnostic ion (in most cases the protonated molecule). Overall, at the 0.01 mg kg−1 level, 89% of the 2620 fortifications made were detected. The screening detection limit for individual pesticides was 0.01 mg kg−1 for 77% of the pesticides investigated. The possibilities for identification according to the SANCO criteria, requiring two ions with a mass accuracy ≤±5 ppm and an ion-ratio deviation ≤±30%, were investigated. At the 0.01 mg kg−1 level, identification was possible for 70% of the pesticides detected during screening. This increased to 87% and 93% at the 0.05 and 0.20 mg kg−1 level, respectively. Insufficient sensitivity for the second ion was the main reason for the inability to identify detected pesticides, followed by deviations in mass accuracy and ion ratios.ca_CA
dc.format.extent10 p.ca_CA
dc.format.mimetypeapplication/pdfca_CA
dc.language.isoengca_CA
dc.publisherElsevierca_CA
dc.relation.isPartOfAnalytica Chimica Acta, v. 838 (August 2014)ca_CA
dc.subjectGas chromatographyca_CA
dc.subjectHybrid quadrupole time-of- flight mass spectometerca_CA
dc.subjectAtmospheric pressure chemical ionizationca_CA
dc.subjectScreeningca_CA
dc.subjectIdentificationca_CA
dc.subjectPesticidesca_CA
dc.titleValidation of a qualitative screening method for pesticides in fruits and vegetables by gas chromatography quadrupole-time of flight mass spectrometry with atmospheric pressure chemical ionizationca_CA
dc.typeinfo:eu-repo/semantics/articleca_CA
dc.identifier.doihttp://dx.doi.org/10.1016/j.aca.2014.06.006
dc.rights.accessRightsinfo:eu-repo/semantics/restrictedAccessca_CA
dc.relation.publisherVersionhttp://www.sciencedirect.com/science/article/pii/S0003267014007193#ca_CA


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