Fragmentation Reactions of Rhodamine B and 6G as Revealed by High Accuracy Orbitrap Tandem Mass Spectrometry

Autor(es)

Ferreira, Bruno R. V. ; Correa, Deleon N. ; Eberlin, Marcos N. ; Vendramini, Pedro H.

• Tipo de documento: Artigo Científico
• Fonte: Journal of the Brazilian Chemical Society; v. 28, n. 1, p. 136-142, JAN 2017.
• Citações Web of Science: 4

Resumo

Correct interpretation of mass spectra is essential to our understanding of the ion chemistry occurring in the gas phase inside mass spectrometers and for constructing a solid knowledge from which mass spectrometry (MS) data of novel molecules will be interpreted. Assignments of product ions leading to incorrect dissociation mechanisms can also be dangerous in several disciplines such as in forensic chemistry and clinical diagnostics. Main fragmentation routes for rhodamines B and 6G were investigated by high accuracy Orbitrap tandem mass spectrometry (MS/MS). Isobars were properly resolved and molecular formulas were correctly attributed to all major product ions. This proper evaluation of ions composition and formula allowed us to propose a detailed mechanism for their dissociation. A comprehensive mechanistic fragmentation is proposed for rhodamine B and 6G using product ion assignments resulting from high resolution and accuracy tandem MS data, which should serve as a guide for MS and MS/MS data interpretation of homologues molecules. (AU)

• Processo FAPESP: 12/18748-9 - Estudos Mecanísticos de Reações Sequenciais Catalisadas por Paládio/Norborneno via Espectrometria de Massas.
• Beneficiário: Bruno Ricardo Vilachã Ferreira
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado