Comprehensive two-dimensional gas chromatography–mass spectrometry combined with multivariate data analysis for pattern recognition in Ecuadorian spirits

Abstract

The current methodology used in quality control of Ecuadorian beverages such as Pájaro azúl, Puro and Pata de vaca is carried out by using conventional gas chromatography; however, it does not allow the fingerprinting of these Ecuadorian spirit beverages and their possible cases of adulteration. In order to overcome this drawback, comprehensive two-dimensional gas chromatography–mass spectrometry (GC × GC–MS) was combined with multivariate data analysis, revealing that compounds like citronellal, citronellol, geraniol, methyl anthranilate, (−)-trans-α-bergamotene, (−)-cis-α-bergamotene and d-limonene can be considered key elements for pattern recognition of these traditional beverages and product adulteration cases. Thus, the two-dimensional chromatographic fingerprints obtained by GC × GC–MS coupled with chemometric analysis, using Principal Component Analysis and Fisher-ratio can be considered as a potential strategy for adulteration recognition, and it may used as a quality assurance system for Ecuadorian traditional spirits.

Recent Advances in GC×GC and Chemometrics to Address Emerging Challenges in Nontargeted Analysis

“…When classifying three traditional Ecuadorian spirits, Augusto and coworkers first used pixel-based FRA as a data reduction tool prior to PCA. 49 By focusing their study to a few classdistinguishing analytes, such as citronellal and methyl anthranilate, differences between the spirits were highlighted on the scores plot. The combination of pixel-based FRA and PCA was later applied by this group to discover 14 volatiles that differentiated low-and high-quality Brazilian chocolates.…”

“…Along with wine, pixel-based FRA has been implemented to discover key sensory attributes of other food products. When classifying three traditional Ecuadorian spirits, Augusto and co-workers first used pixel-based FRA as a data reduction tool prior to PCA . By focusing their study to a few class-distinguishing analytes, such as citronellal and methyl anthranilate, differences between the spirits were highlighted on the scores plot.…”

Comprehensive Two-Dimensional Gas Chromatography Advances in Technology and Applications: Biennial Update

“…Another important class of flavored products, beverages require similar quality standards to foods and a similar number of GC×GC studies are noted. Examples of the most common products in this category are tea, − coffee, − wine, ,− spirits, , and beer and hop. ,, …”

“…Another important class of flavored products, beverages require similar quality standards to foods and a similar number of GC×GC studies are noted. Examples of the most common products in this category are tea, 115−120 coffee, 121−123 wine, 98,124−128 spirits, 129,130 and beer and hop. 60,131,132 Novaes et al developed GC×GC−TOFMS and GC×GC−FID strategies (Figure 6) for direct analysis of lowvolatility compounds in raw coffee beans 122 and monitored the evolution of aroma volatiles released in the roasting plume captured by sorption tubes during the roasting process.…”

Towards Real-Time Portable Gas Mass Spectroscopy Detection by Multivariate Analysis: a Case Study

“…Lv et al 18 used GC-MS to acquire fingerprint spectra of Puerh green tea and other six green teas and then used Cluster Analysis (CA) and PCA to evaluate the difference between the Puerh variant and the other ones. More recently, Mogollon et al 19 performed GC-MS acquisitions on Ecuadorian spirits beverage, whose samples were prepared with a particular technique called Headspace Solid-phase microextraction (HS-SPME). This pretreatment, in conjunction with PCA, allowed them to use mass spectrometry for a valuable quality inspection of these alcoholics.…”