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′-O-sinapoyl-4-(methylsulphinyl)-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-MSn) 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 μmol/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.