Mostrar el registro sencillo del ítem

dc.contributor.authorHernandez, Felix
dc.contributor.authorDíaz San Pedro, Ramón
dc.contributor.authorIbáñez, Maria
dc.contributor.authorSancho, Juan V
dc.date.accessioned2012-05-30T08:25:26Z
dc.date.available2012-05-30T08:25:26Z
dc.date.issued2011-01-30
dc.identifier.citationRapid communications mass spectrometry (30 Jan. 2011), vol. 25, no. 2, 355-369ca_CA
dc.identifier.issn0951-4198
dc.identifier.issn1097-0231
dc.identifier.urihttp://hdl.handle.net/10234/39261
dc.description.abstractHybrid quadrupole time-of-flight mass spectrometry (QTOF MS) has gained wide acceptance in many fields of chemistry, for example, proteomics, metabolomics and small molecule analysis. This has been due to the numerous technological advances made to this mass analyser in recent years. In the environmental field, the instrument has proven to be one of the most powerful approaches for the screening of organic pollutants in different matrices due to its high sensitivity in full acquisition mode and mass accuracy measurements. In the work presented here, the optimum experimental conditions for the creation of an empirical TOF MS spectra library have been evaluated. For this model we have used a QTOF Premier mass spectrometer and investigated its functionalities to obtain the best MS data, mainly in terms of mass accuracy, dynamic range and sensitivity. Different parameters that can affect mass accuracy, such as lock mass, ion abundance, spectral resolution, instrument calibration or matrix effect, have also been carefully evaluated using test compounds (mainly pesticides and antibiotics). The role of ultra-high-pressure liquid chromatography (UHPLC), especially when dealing with complex matrices, has also been tested. In addition to the mass accuracy measurements, this analyser allows the simultaneous acquisition of low and high collision energy spectra. This acquisition mode greatly enhances the reliable identification of detected compounds due to the useful (de)protonated molecule and fragment ion accurate mass information obtained when working in this mode. An in-house empirical spectral library was built for approximately 230 organic pollutants making use of QTOF MS in MS(E) mode. All the information reported in this paper is made available to the readers to facilitate screening and identification of relevant organic pollutants by QTOF MS.ca_CA
dc.format.extent25 p.ca_CA
dc.format.mimetypeapplication/pdfca_CA
dc.language.isoengca_CA
dc.publisherJohn Wileyca_CA
dc.relation.isFormatOfPre-print del document publicat a: http://onlinelibrary.wiley.com/doi/10.1002/rcm.4860/abstractca_CA
dc.rights© 2010 John Wileyca_CA
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/*
dc.subjectHybrid UHPLC-QTOF MSca_CA
dc.subjectPerformance optimisationca_CA
dc.subjectEmpirical mass spectra libraryca_CA
dc.subjectScreeningca_CA
dc.subjectOrganic contaminantsca_CA
dc.subject.lcshMass spectrometryca_CA
dc.subject.lcshPollutantsca_CA
dc.subject.otherEspectrometria de massesca_CA
dc.subject.otherContaminantsca_CA
dc.titleBuilding an empirical mass spectra library for screening of organic pollutants by ultra-high-pressure liquid chromatography/hybrid quadrupole time-of-flight mass spectrometryca_CA
dc.title.alternativeBuilding an empirical mass spectra library for screening of organic pollutants by UHPLC-QTOF MSca_CA
dc.typeinfo:eu-repo/semantics/articleca_CA
dc.identifier.doihttp://dx.doi.org/10.1002/rcm.4860
dc.rights.accessRightsinfo:eu-repo/semantics/openAccessca_CA
dc.type.versioninfo:eu-repo/semantics/submittedVersion


Ficheros en el ítem

Thumbnail

Este ítem aparece en la(s) siguiente(s) colección(ones)

Mostrar el registro sencillo del ítem