2017
DOI: 10.1002/jms.3962
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Gas‐phase dissociation study of erythrinian alkaloids by electrospray ionization mass spectrometry and computational methods

Abstract: Alkaloids from plants of the genus Erythrina display important biological activities, including anxiolytic action. Characterization of these alkaloids by mass spectrometry (MS) has contributed to the construction of a spectral library, has improved understanding of their structures and has supported the proposal of fragmentation mechanisms in light of density functional calculations. In this study, we have used low-resolution and high-resolution MS analyses to investigate the fragmentation patterns of erythrin… Show more

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Cited by 9 publications
(19 citation statements)
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“…The GB and PA descriptors allowed us to describe the reactivity of polyfunctionalized compounds, as observed in natural products research. Comparison of the DFT calculation for 2 H ‐chromenes with B3LYP using the 6‐31+G(d,p) and 6‐311++G(d,p) basis sets displays a strong similarity between the results of these two models (Figure ).…”
Section: Resultsmentioning
confidence: 99%
See 3 more Smart Citations
“…The GB and PA descriptors allowed us to describe the reactivity of polyfunctionalized compounds, as observed in natural products research. Comparison of the DFT calculation for 2 H ‐chromenes with B3LYP using the 6‐31+G(d,p) and 6‐311++G(d,p) basis sets displays a strong similarity between the results of these two models (Figure ).…”
Section: Resultsmentioning
confidence: 99%
“…Thereby, it is essential to understand the chemical behavior of specific compounds under collision‐induced dissociation (CID), such as the ionization sites and the stability of those ionic species. In this context, quantum chemical calculations have been an important tool to predict thermochemical parameters, which can aid in the interpretation of ESI‐MS/MS data and consequently assist the proposed fragmentation reactions …”
Section: Introductionmentioning
confidence: 99%
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“…Recently, Guaratini et al () employed low‐resolution and high‐resolution MS n analyses to investigate the fragmentation patterns of Erythrina alkaloids and suggested the fragmentation mechanism of these compounds. In summary, this study can contribute to identification of several analogues of these alkaloids.…”
Section: Phytochemical Methodsmentioning
confidence: 99%