Capillary electrophoresis-mass spectrometry metabolic fingerprinting of green and roasted coffee
Autores
Pérez Miguez, Raquel; Sánchez López, Elena; Plaza del Moral, Merichel; Marina Alegre, María Luisa; Castro Puyana, MaríaIdentificadores
Enlace permanente (URI): http://hdl.handle.net/10017/48151DOI: 10.1016/j.chroma.2019.07.007
ISSN: 00219673
Fecha de publicación
2019-11-08Fecha fin de embargo
2021-11-08Filiación
Universidad de Alcalá. Departamento de Química Analítica, Química Física e Ingeniería QuímicaCita bibliográfica
Journal of Chromatography A, 2019, v. 1605, n. 360353
Palabras clave
Metabolic fingerprinting
Capillary electrophoresis
High resolution mass spectrometry
Jet stream
Coffee beans
Roasting process
Proyectos
Comunidad de Madrid y los Programas FSE y FEDER (proyecto S2018/BAA-4393, AVANSECAL-II-CM)
Universidad de Alcalá (proyecto CCG2015/EXP-032)
Tipo de documento
info:eu-repo/semantics/article
Versión
info:eu-repo/semantics/publishedVersion
Derechos
Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
© Elsevier
Derechos de acceso
info:eu-repo/semantics/openAccess
Resumen
The aim of this work was to develop a capillary electrophoresis-mass spectrometry (CE-ESI-QToF-MS) method to carry out the metabolic fingerprinting of green and roasted coffee samples (Arabica variety). To evaluate changes in the metabolic profiles of coffee occurring along the roasting process, green coffee beans were submitted to different roasting degrees. The effect of different parameters concerning the electrophoretic separation (background electrolyte, temperature, voltage, and injection time), the MS detection (temperature and flow of drying gas, sheath gas of jet stream temperature, and capillary, fragmentator, nozzle, skimmer, and octapole voltages) and the sheath liquid (composition and flow rate) was studied to achieve an adequate separation and to obtain the largest number of molecular features. The analyses were carried out in positive ESI mode allowing to detect highly polar cationic metabolites present in coffee beans. Non-supervised and supervised multivariate analyses were performed showing a good discrimination among the different coffee groups. Those features having a high variable importance in the projection values on supervised analyses were selected as significant metabolites for their identification. Thus, 13 compounds were proposed as potential markers of the coffee roasting process, being 7 of them tentatively identified and 2 of them unequivocally identified. Different families of compounds such as pyridines, pyrroles, betaines, or indoles could be pointed out as markers of the coffee roasting process. (C) 2019 Elsevier B.V. All rights reserved.
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Capillary_Perez_JChromA_2019.pdf | 1.328Mb |
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Capillary_Perez_JChromA_2019.pdf | 1.328Mb |
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