Chemical profiling of glucosinolates in cruciferous vegetables-based dietary supplements using ultra-high performance liquid chromatography coupled to tandem high resolution mass spectrometry

The chemical profiles of glucosinolates in cruciferous vegetables-based dietary supplements (CVDS) have been established with an ultra-high performance liquid chromatography high-resolution mass spectrometry (UHPLC-HRMS) method. In total, 29 glucosinolates, including two new acylated glucosinolates, were putatively identified. The structures of the two new acylated glucosinolates were deduced as 6'-0-sinapoy1-4-(methylsulphiny1)-butyl glucosinolate and" 6'-O-sinapoyl-4-(methylthio)butyl glucosinolate, respectively. The possible fragmentation pathways of the two new glucosinolates were proposed based on their multi-stage mass spectrometry (ESI-MSm) spectra. Furthermore, the glucosinolates in CVDS were desulfated and quantified as desulfo-glucosinolates by diode array detector. The total content of glucosinolates in CVDS varied greatly from 6.15 to 104.17 mu mol/g. The chemical profiles of these CVDS also showed substantial diversity. Our study presented an effective strategy that can be used for quality control of commercial dietary supplements that contain glucosinolates. Published by Elsevier Inc.