title: A comprehensive characterisation of beer polyphenols by high resolution mass spectrometry (LC-ESI-LTQ-Orbitrap-MS).
abstract: Beer is the second most consumed alcoholic beverage in Europe and shown by the European Prospective Investigation into Cancer and Nutrition cohort study to be the main food contributor to hydroxybenzoic acid intake. About 70-80% of the total polyphenol content in beer comes from malt, and the remaining 30-20% from hops. In this work, liquid chromatography coupled with an electrospray ionization hybrid linear ion trap quadrupole Orbitrap mass spectrometry technique has been used for an accurate identification of beer polyphenols. 47 phenolic compounds were identified using high mass accuracy and confirmed by MS(2) experiments, including simple phenolic acids, hydroxycinnamoylquinics, flavanols, flavonols, flavones, alkylmethoxyphenols, alpha- and iso-alpha-acids, hydroxyphenylacetic acids and prenylflavonoids. As far as we know, 7 of these compounds have been recognised in beer for the first time: feruloylquinic acid, caffeic acid-O-hexoside, coumaric acid-O-hexoside, sinapic acid-O-hexoside, catechin-O-dihexoside, kaempferol-O-hexoside, and apigenin-C-hexoside-pentoside.
authors.affiliation: Department of Nutrition and Food Science-XARTA-INSA, School of Pharmacy, Campus de l'Alimentació Torribera, University of Barcelona, Barcelona, Spain; CIBER Physiopathology of Obesity and Nutrition (CIBEROBN), Institute of Health Carlos III, Spain.
authors.forename: Paola
authors.initials: P
authors.lastname: Quifer-Rada
authors.affiliation: Department of Nutrition and Food Science-XARTA-INSA, School of Pharmacy, Campus de l'Alimentació Torribera, University of Barcelona, Barcelona, Spain; CIBER Physiopathology of Obesity and Nutrition (CIBEROBN), Institute of Health Carlos III, Spain.
authors.forename: Anna
authors.initials: A
authors.lastname: Vallverdú-Queralt
authors.affiliation: Department of Nutrition and Food Science-XARTA-INSA, School of Pharmacy, Campus de l'Alimentació Torribera, University of Barcelona, Barcelona, Spain; CIBER Physiopathology of Obesity and Nutrition (CIBEROBN), Institute of Health Carlos III, Spain.
authors.forename: Miriam
authors.initials: M
authors.lastname: Martínez-Huélamo
authors.affiliation: CIBER Physiopathology of Obesity and Nutrition (CIBEROBN), Institute of Health Carlos III, Spain; Department of Internal Medicine, Hospital Clinic, Institute of Biomedical Investigation August Pi i Sunyer (IDIBAPS), University of Barcelona, Spain.
authors.forename: Gemma
authors.initials: G
authors.lastname: Chiva-Blanch
authors.affiliation: Scientific and Technological Centers of the University of Barcelona (CCiTUB), Barcelona, Spain.
authors.forename: Olga
authors.initials: O
authors.lastname: Jáuregui
authors.affiliation: CIBER Physiopathology of Obesity and Nutrition (CIBEROBN), Institute of Health Carlos III, Spain; Department of Internal Medicine, Hospital Clinic, Institute of Biomedical Investigation August Pi i Sunyer (IDIBAPS), University of Barcelona, Spain.
authors.forename: Ramon
authors.initials: R
authors.lastname: Estruch
authors.affiliation: Department of Nutrition and Food Science-XARTA-INSA, School of Pharmacy, Campus de l'Alimentació Torribera, University of Barcelona, Barcelona, Spain; CIBER Physiopathology of Obesity and Nutrition (CIBEROBN), Institute of Health Carlos III, Spain. Electronic address: lamuela@ub.edu.
authors.forename: Rosa
authors.initials: R
authors.lastname: Lamuela-Raventós
mesh_terms: D001515:Beer / Q000032:analysis*; D002853:Chromatography, Liquid / Q000379:methods*; D015331:Cohort Studies; D005419:Flavonoids / Q000032:analysis; D062385:Hydroxybenzoates / Q000032:analysis; D059808:Polyphenols / Q000032:analysis*; D011446:Prospective Studies; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*
chemical_list: D005419:Flavonoids; D062385:Hydroxybenzoates; D059808:Polyphenols; C017616:phenolic acid
keywords: Beer; High resolution mass spectrometry; LTQ-Orbitrap; Phenolic acids; Polyphenols