Profiling flavonoids in natural products poses great challenges due to the diversity of flavonoids, the lack of commercially available standards, and the complexity of food matrices. The increasing popular use of ultra high-performance liquid chromatography diode array detection high-resolution accurate-mass mass spectrometry (UHPLC HRAM-MS) for the analysis of flavonoids has made the task easier and more reliable, however, data-mining of the UHPLC HRAM-MS data is very daunting, labor-intensive, and expertise-dependent process. An automation data processing tool that could transfer field-acquired expertise into the data analysis will be very valuable. FlavonQ is being developed as such an "expert system" for the analysis of flavone and flavonol glycosides, an important subclass of flavonoids. It is capable of automatic data format conversion, peak detection, flavone and flavonol glycosides peaks extraction, flavone and flavonol glycosides identification and semi-quantitation. The system was applied to the determination of flavone and flavonol glycosides in 9 different plant with an average execution time of 43 ± 11 seconds. The analysis results by FlavonQ were manually verified and was in good agreement.

FlavonQ: An automated data processing tool for profiling flavone and flavonol glycosides with ultra-high-performance liquid chromatography−diode array detection−high resolution accurate mass−mass spectrometry

251st National Meeting (2016)

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