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dc.contributor.authorOrera Utrilla, Irene-
dc.contributor.authorOrduna, Jesús-
dc.contributor.authorAbadía Bayona, Javier-
dc.contributor.authorÁlvarez-Fernández, Ana-
dc.date.accessioned2012-07-03T08:01:56Z-
dc.date.available2012-07-03T08:01:56Z-
dc.date.issued2010-
dc.identifierdoi: 10.1002/rcm.4361-
dc.identifierissn: 0951-4198-
dc.identifiere-issn: 1097-0231-
dc.identifier.citationRapid Communications in Mass Spectrometry 24(1): 109-119 (2010)-
dc.identifier.urihttp://hdl.handle.net/10261/52670-
dc.description.abstractFertilizers based on synthetic polyaminocarboxylate ferric chelates have been known since the 1950s to be successful in supplying Fe to plants. In commercial Fe(III)-chelate fertilizers, a significant part of the water-soluble Fe-fraction consists of still uncharacterized Fe byproducts, whose agronomical value is unknown. Although collision-induced dissociation (CID) tandem mass spectrometry (MS/ MS) is a valuable tool for the identification of such compounds, no fragmentation data have been reported for most Fe(III)-chelate fertilizers. The aim of this study was to characterize the CID-MS2 fragmentation patterns of the major synthetic Fe(III)-chelates used as Fe-fertilizers, and subsequently use this technique for the characterization of commercial fertilizers. Quadrupole-time-of-flight (QTOF) and spherical ion trap mass analyzers equipped with an electrospray ionization (ESI) source were used. ESI-CID-MS2 spectra obtained were richer when using the QTOF device. Specific differences were found among Fe(III)-chelate fragmentation patterns, even in the case of positional isomers. The analysis of a commercial Fe(III)-chelate fertilizer by high-performance liquid chroma-tography (HPLC) coupled to ESI-MS(QTOF) revealed two previously unknown, Fe-containing compounds, that were successfully identified by a comprehensive comparison of the ESI-CID-MS2(QTOF) spectra with those of pure chelates. This shows that HPLC/ESI-CID-MS2(QTOF), along with the Fe(III)-chelate fragmentation patterns, could be a highly valuable tool to directly characterize the water-soluble Fe fraction in Fe(III)-chelate fertilizers. This could be of great importance in issues related to crop Fe-fertilization, both from an agricultural and an environmental point of view.-
dc.description.sponsorshipStudy supported by the Spanish Ministry of Science and Innovation (MICINN) (projects AGL2006-1416 and AGL2007-61948, co-financed with FEDER), the Commission of European Communities (ISAFRUIT Project, Thematic Priority 5-Food Quality and Safety, of the 6th Framework Programme of RTD; Grant number FP6-FOOD-CT-2006- 016279), and the Aragón Government (Groups A03 and E39). IO was supported by a CONAID-DGA predoctoral fellowship. -
dc.language.isoeng-
dc.publisherWiley-Blackwell-
dc.rightsclosedAccess-
dc.titleElectrospray ionization collision-induced dissociation mass spectrometry: a tool to characterize synthetic polyaminocarboxylate ferric chelates used as fertilizers-
dc.typeartículo-
dc.identifier.doi10.1002/rcm.4361-
dc.date.updated2012-07-03T08:01:56Z-
dc.description.versionPeer Reviewed-
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