Metabolomic analysis of the grain pearling fractions of six bread wheat varieties

•The spatial distribution of wheat grain nutrients and phytochemicals were analyzed.•Differences were detected in the metabolomes of six assessed wheat cultivars.•Fraction analysis revealed wheat bran to be a rich source of bioactive compounds.•Wholegrain products from medium-gluten and pigmented wheat varieties are beneficial.•This study could contribute to functional food development. Bread wheat is a staple food crop that is consumed worldwide. In this study, using widely targeted LC-MS/MS, we conducted a high-throughput metabolomic analysis and determined the contents and spatial distribution of metabolites in pearled fractions of the dried kernels of six representative bread wheat varieties cultivated in China. Our aim was to explore the cultivars and pearling fractions with a view toward developing functional food products. We accordingly identified notable differences in the nutrient and bioactive metabolomes, and established that the pearling fractions of each cultivar had distinct metabolic profiles. Flavonoids varied the most amongst the cultivars and were found in higher concentration in the outer layers of the grain, but only at low concentrations in the kernel. Data from this study add further evidence of benefits of whole grain wheat consumption but, specifically, medium-gluten and pigmented wheat offer other nutrient and bioactive benefits whole grain products.