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Acetonitrile adducts of tranexamic acid as sensitive ions for quantification at residue levels in human plasma by UHPLC-MS/MS

2021-11-23Journal article Open access
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dc.contributor.authorSilva, Eduarda M. P.
dc.contributor.authorBarreiros, Luísa
dc.contributor.authorFernandes, Sara R.
dc.contributor.authorSá, Paula
dc.contributor.authorRamalho, João P. Prates
dc.contributor.authorSegundo, Marcela A.
dc.date.accessioned2022-04-27T16:20:25Z
dc.date.available2022-04-27T16:20:25Z
dc.date.issued2021-11-23
dc.description.abstractThe quantitative analysis of pharmaceuticals in biomatrices by liquid chromatography coupled with electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) is often hampered by adduct formation. The use of the molecular ion resulting from solvent adducts for quantification is uncommon, even if formed in high abundance. In this work, we propose the use of a protonated acetonitrile adduct for the quantitative analysis of tranexamic acid (TXA) by LC-MS/MS. The high abundance of the protonated acetonitrile adduct [M + ACN + H]+ was found to be independent of source-dependent parameters and mobile phase composition. The results obtained for TXA analysis in clinical samples were comparable for both [M + ACN + H]+ and [M + H]+ , and no statistically significant differences were observed. The relative stability and structure of the [M + ACN + H]+ ions were also studied by analyzing probable structures from an energetic point of view and by quantum chemical calculations. These findings, and the studied fragmentation pathways, allowed the definition of an acetimidium structure as the best ion to describe the observed acetonitrile protonated adduct of TXA.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationSilva, E. M. P., Barreiros, L., Fernandes, S. R., Sá, P., Ramalho, J. P. P., & Segundo, M. A. (2021). Acetonitrile Adducts of Tranexamic Acid as Sensitive Ions for Quantification at Residue Levels in Human Plasma by UHPLC-MS/MS. Pharmaceuticals, 14(12), 1205. https://www.mdpi.com/1424-8247/14/12/1205pt_PT
dc.identifier.doi10.3390/ph14121205pt_PT
dc.identifier.issn1424-8247
dc.identifier.urihttp://hdl.handle.net/10400.22/20409
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherMDPIpt_PT
dc.relation.publisherversionhttps://www.mdpi.com/1424-8247/14/12/1205pt_PT
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/pt_PT
dc.subjectElectrospray ionizationpt_PT
dc.subjectCollision-induced dissociationpt_PT
dc.subjectFragmentationpt_PT
dc.subjectSolvent adductspt_PT
dc.subjectAnalyte quantificationpt_PT
dc.titleAcetonitrile adducts of tranexamic acid as sensitive ions for quantification at residue levels in human plasma by UHPLC-MS/MSpt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.citation.endPage17pt_PT
oaire.citation.startPage1pt_PT
oaire.citation.titlePharmaceuticalspt_PT
oaire.citation.volume14pt_PT
person.familyNameBarreiros
person.familyNameFernandes
person.givenNameLuisa
person.givenNameSara
person.identifier.ciencia-id611F-E0C5-0230
person.identifier.ciencia-id1C12-D800-38A4
person.identifier.orcid0000-0003-3481-5809
person.identifier.orcid0000-0001-7042-1941
person.identifier.ridD-7950-2013
person.identifier.scopus-author-id6508205485
person.identifier.scopus-author-id57203278917
rcaap.rightsopenAccesspt_PT
rcaap.typearticlept_PT
relation.isAuthorOfPublication1e66bacc-64de-4ecb-96b7-4c0e366cba57
relation.isAuthorOfPublication6c2ed5f0-c3fd-4559-99a3-b8d78d019b47
relation.isAuthorOfPublication.latestForDiscovery1e66bacc-64de-4ecb-96b7-4c0e366cba57

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