Identification and quantification of bioactive compounds in coffee brews by HPLC–DAD–MSn

• Composition of 10 roasted and 4 soluble coffees determined by HPLC–DAD–MSn.
• Regular roasted ground coffees showed high levels of caffeine and niacin.
• Decaffeinated soluble coffees presented high levels of chlorogenic acids and 5-HMF.
• Roasted ground coffees showed high levels of chlorogenic acid lactones.
• Regular, decaffeinated coffee are bioactive compound sources for coffee drinkers.

Coffee is a beverage widely consumed worldwide because of its organoleptic characteristics and stimulating and beneficial health effects. This paper presents the identification and quantification of chlorogenic acids and derivatives, trigonelline, nicotinic acid, 5-hydroxymethylfurfural, theobromine, theophylline, and caffeine in brews of 10 roasted ground coffee and 4 soluble coffee determined by HPLC–DAD–MSn. Among the chlorogenic acids and derivatives, 17 chlorogenic acids, 5 chlorogenic acid lactones, 2 cinnamoyl-amino acid conjugates, and 2 free cinnamic acids were identified. This is the first study that reports the presence of caffeoylferuloylquinic acid isomers, and cinnamoyl-amino acid conjugates in soluble coffee brews. Regular roasted ground coffee brews showed higher contents of chlorogenic acids (4162 mg/100 g), chlorogenic acid lactones (779 mg/100 g), p-coumaric acid (2.4 mg/100 g), trigonelline (2044 mg/100 g), nicotinic acid (100.4 mg/100 g), caffeine (4565 mg/100 g), and theobromine (12.5 mg/100 g) than regular soluble coffee brews. Decaffeinated coffee brews presented higher levels of chlorogenic acids, chlorogenic acid lactones, caffeic acid, and trigonelline when compared to the regular ones. Despite the differences in the levels of these compounds, brews of roasted ground coffee and soluble coffee, both regular and decaffeinated, represent an important source of bioactive compounds for habitual coffee consumers.