Analysis of coffee bean extracts by use of ultra-performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry

摘要

class="kwd-title">Keywords: UPLC, Q-TOF/MS, Caffeine, Mass spectrometry, Phenolic analysis, Waters class="head no_bottom_margin" id="abs0010title">AbstractThe number of flavour chemicals identified in coffee has reached over 1000 , . Coffee is one of the world's most popular beverages , highly studied for its health-related properties , , . Studies on coffee associated with human health have focused on the negative aspects, such as the toxicity of caffeine , . Complex chemistry happens during coffee roasting and according to the literature, a number of compounds have been detected and quantified in coffee beans samples by UPLC–Q-TOF/MS , , , . The following method offers a simple approach for the qualitative and quantitative analysis of coffee bean extracts using a Waters Acquity G2 UPLC–Q-TOF/MS instrument adapted from the method by Kenny et al., . The following modifications were made: class="first-line-outdent">

• The method by Kenny et al. was developed on a triple quadrupole mass spectrometer, the below method was developed on a Q-TOF MS.

• A combination of utilising both base peak index and mass extraction at 0.05 Da allows for a sensitive, quantitative technique amidst poor background noise and poor separation with high mass accuracy (<5 ppm).

• By use of MS^E centroid experiment, greater mass spectral information for metabolite profiling could be obtained.