Discrimination of rose wines using shotgun metabolomics with a genetic algorithm and MS ion intensity ratios.

ABSTRACT: A rapid Ultra Performance Liquid Chromatography coupled with Quadrupole/Time Of Flight Mass Spectrometry (UPLC-QTOF-MS) method was designed to quickly acquire high-resolution mass spectra metabolomics fingerprints for rosé wines. An original statistical analysis involving ion ratios, discriminant analysis, and genetic algorithm (GA) was then applied to study the discrimination of rosé wines according to their origins. After noise reduction and ion peak alignments on the mass spectra, about 14 000 different signals were detected. The use of an in-house mass spectrometry database allowed us to assign 72 molecules. Then, a genetic algorithm was applied on two series of samples (learning and validation sets), each composed of 30 commercial wines from three different wine producing regions of F

SUBMITTER: Gil M 

PROVIDER: S-EPMC6981237 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature