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J Chromatogr A

Title:		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
Author(s):		Fontana A; Rodriguez I; Cela R;
Address:		"Laboratorio de Bioquimica Vegetal, Instituto de Biologia Agricola de Mendoza, Consejo Nacional de Investigaciones Cientificas y Tecnicas-Universidad Nacional de Cuyo, Almirante Brown 500, M5528AHB Chacras de Coria, Argentina. Departamento de Quimica Analitica, Nutricion y Bromatologia, Instituto de Investigacion y Analisis Alimentario (IIAA), Universidade de Santiago de Compostela, Santiago de Compostela 15782, Spain. Electronic address: isaac.rodriguez@usc.es. Departamento de Quimica Analitica, Nutricion y Bromatologia, Instituto de Investigacion y Analisis Alimentario (IIAA), Universidade de Santiago de Compostela, Santiago de Compostela 15782, Spain"
Journal Title:		J Chromatogr A
Year:		2018
Volume:		20180303
Issue:
Page Number:		36 - 45
DOI:		10.1016/j.chroma.2018.03.003
ISSN/ISBN:		1873-3778 (Electronic) 0021-9673 (Linking)
Abstract:		"The suitability of dispersive liquid-liquid microextraction (DLLME) and gas chromatography accurate mass spectrometry (GC-MS), based on a time-of-flight (TOF) MS analyzer and using electron ionization (EI), for the characterization of volatile and semi-volatile profiles of grape marc distillates (grappa) are evaluated. DLLME conditions are optimized with a selection of compounds, from different chemical families, present in the distillate spirit. Under final working conditions, 2.5?ª+mL of sample and 0.5?ª+mL of organic solvents are consumed in the sample preparation process. The absolute extraction efficiencies ranged from 30 to 100%, depending on the compound. For the same sample volume, DLLME provided higher responses than solid-phase microextraction (SPME) for most of the model compounds. The GC-EI-TOF-MS records of grappa samples were processed using a data mining non-targeted search algorithm. In this way, chromatographic peaks and accurate EI-MS spectra of sample components were linked. The identities of more than 140 of these components are proposed from comparison of their accurate spectra with those in a low resolution EI-MS database, accurate masses of most intense fragment ions of known structure, and available chromatographic retention index. The use of chromatographic and spectral data, associated to the set of components mined from different grappa samples, for multivariate analysis purposes is also illustrated in the study"
Keywords:		Centrifugation *Distillation Gas Chromatography-Mass Spectrometry/*methods Liquid Phase Microextraction/*methods Osmolar Concentration Principal Component Analysis Sodium Chloride/chemistry Solvents/chemistry Time Factors Vitis/*chemistry Volatile Organic;
Notes:		"MedlineFontana, Ariel Rodriguez, Isaac Cela, Rafael eng Netherlands 2018/03/13 J Chromatogr A. 2018 Apr 20; 1546:36-45. doi: 10.1016/j.chroma.2018.03.003. Epub 2018 Mar 3"