At Endless West, we recreate alcoholic beverages at the molecular level, replicating the chemical composition based on a wide range of chemical data measured in our lab. This involves the use of both LC-MS and GC-MS, among other techniques. Molecules are identified based on database searches, fragmentation data, accurate mass chemical composition data, and with chemical standards. Food grade chemicals are then purchased or extracted from natural sources to recreate the flavors and mouthfeel of a beverage. However, certain molecules identified from traditionally-produced beverages are not available food grade or approved for addition into food products. Questions have arisen as to whether all molecules identified are necessary for the recreation of a certain product, or if potentially toxic chemicals can be omitted from formulations.<br/>Samples of various wines and spirits were prepared for LC-MS analysis by diluting into 50% methanol and filtering. Each sample was run in quadruplicate using both C18 and HILIC chromatography, in positive and negative ionization modes using a Thermo Scientific Ultimate 3000 HPLC coupled to a Q-Exactive mass spectrometer. Data was analyzed using Compound Discoverer 3.0 software, and compounds putatively identified against the mz Cloud, mz Vault, Metlin and ChemSpider databases, and an in-house database created with chemical standards and retention time under each chromatographic condition.<br/>Compounds identified in the beverages tested included sugars, amino acids, volatile organic compounds, tannins and polyphenols predictable to each beverage type. Interestingly, several pesticides were identified in wines, and potential irritants and/or carcinogens like phenol, styrene, and phthalates were found in beverages that had undergone a charring or smoking process. Due to the harmful effects and non-food grade status of these compounds, they were omitted from formulations with a negligible effect on taste and mouthfeel.<br/>

Molecular composition of alcoholic beverages: The good, the bad, and the unnecessary

2019 Fall National Meeting

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