RT Journal Article
T1 Dispersive liquid-liquid microextraction and gas chromatography accurate mass spectrometry for extraction and non-targeted profiling of volatile and semi-volatile compounds in grape marc distillates
A1 Rodríguez, Isaac
A1 Cela Torrijos, Rafael
A1 Fontana, Ariel
K1 Volatile compounds profiling
K1 Grape marc distillates
K1 Dispersive liquid–liquid microextraction
K1 Gas chromatography time-of-flight mass spectrometry
AB The suitability of dispersive liquid-liquid microextraction (DLLME) and gaschromatography accurate mass spectrometry (GC-MS), based on a time-of-flight (TOF)MS analyzer and using electron ionization (EI), for the characterization of volatile andsemi-volatile profiles of grape marc distillates (grappa) are evaluated. DLLMEconditions are optimized with a selection of compounds, from different chemicalfamilies, present in the distillate spirit. Under final working conditions, 2.5 mL of sampleand 0.5 mL of organic solvents are consumed in the sample preparation process. Theabsolute extraction efficiencies ranged from 30 to 100%, depending on the compound.For the same sample volume, DLLME provided higher responses than solid-phasemicroextraction (SPME) for most of the model compounds. The GC-EI-TOF-MSrecords of grappa samples were processed using a data mining non-targeted searchalgorithm. In this way, chromatographic peaks and accurate EI-MS spectra of samplecomponents were linked. The identities of more than 140 of these components areproposed from comparison of their accurate spectra with those in a low resolution EIMS database, accurate masses of most intense fragment ions of known structure, andavailable chromatographic retention index. The use of chromatographic and spectraldata, associated to the set of components mined from different grappa samples, formultivariate analysis purposes is also illustrated in the study
PB Elsevier
SN 0021-9673
YR 2018
FD 2018
LK http://hdl.handle.net/10347/32115
UL http://hdl.handle.net/10347/32115
LA eng
NO Fontana, A., Rodríguez, I., Cela, R. (2018). Dispersive liquid–liquid microextraction and gas chromatography accurate mass spectrometry for extraction and non-targeted profiling of volatile and semi-volatile compounds in grape marc distillates. "Journal of Chromatography A", vol. 1546, 36-45.
NO Financial support from Xunta de Galicia, Spanish Government and FEDER funds(projects GRC-ED431C 2017/36 and CTQ2015-68660-P) is acknowledged. A.R.F.thanks the external postdoctoral fellowship to CONICET, Argentina
DS Minerva
RD 24 abr 2026