Qualitative determination of β-acids and their transformation products in beer and hop using HR/AM-LC-MS/MS

J Agric Food Chem. 2014 Aug 6;62(31):7690-7. doi: 10.1021/jf501852r. Epub 2014 Jul 28.

Abstract

Hops represent an important source of β-acids with antimicrobial and sensory properties. Transformation products of β-acids formed during their oxidation, mainly hulupones, have been shown to have an interesting kind of bitterness. Their structures were recently elucidated using LC-TOFMS and 1D/2D NMR in solution after thermal treatment of the hop β-acids. This study demonstrates the advantages of MS detection with high resolution and accurate mass measurements. The structure of transformation products in an experimental solution of oxidized β-acids was elucidated using a newly developed method by hybrid quadrupole-Orbitrap MS. In addition to already known structures, two new ones were identified and named epoxycohulupone and epoxyhulupone. The method was verified on real samples; the profiles of these products in Sládek hops harvested in 2008 and 2012 and in corresponding beers were compared. For this purpose, a new QuEChERS assay was used for the preparation of beer samples.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Beer / analysis*
  • Chromatography, High Pressure Liquid / methods*
  • Humulus / chemistry
  • Magnetic Resonance Spectroscopy / methods
  • Molecular Structure
  • Oxidation-Reduction
  • Tandem Mass Spectrometry / methods*
  • Taste
  • Terpenes / analysis*
  • Terpenes / chemistry

Substances

  • Terpenes
  • lupulon