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Distillation of fermented sugarcane juice: fractions characterized by electrospray ionization mass spectrometry and multivariate data treatment
Author(s) -
Canuto Marcus H.,
Rosa Carlos A.,
Moura Fabiana,
Augusti Rodinei,
Siebald Helmuth G. L.
Publication year - 2012
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/jms.3035
Subject(s) - chemistry , distillation , chromatography , electrospray ionization , mass spectrometry , electrospray , fraction (chemistry) , principal component analysis , wine , fermentation , analytical chemistry (journal) , food science , statistics , mathematics
Direct infusion electrospray ionization mass spectrometry in the negative ion mode (ESI(−)‐MS) was employed to discriminate among fractions arising from the distillation of fermented sugarcane juice during the production of cachaça, a typical Brazilian alcoholic beverage. Aliquots were collected in the course of distillation and their ESI(−)‐MS shown to be almost indistinguishable by a simple visual inspection. However, when the ESI(−)‐MS data were treated by the principal component analysis (PCA) and hierarchical clustering analysis (HCA) statistical methods, four major groups were clearly determined, the so‐called head (two distinct clusters), heart and tail fractions. Furthermore, the recognition of diagnostic ions (and their respective intensities) enabled a more confident establishment of the cutoff position (i.e. the initial and final points of each fraction). In conclusion, ESI‐MS, in conjunction with PCA or HCA approaches, proved to be a quite efficient method that allowed for a prompt characterization of each fraction derived from the distillation of brewed sugarcane. The results described herein can, therefore, be useful not only to optimize the production of cachaça but also to improve the quality of the final product. Copyright © 2012 John Wiley & Sons, Ltd.