Department C-1, Faculty of Chemical Engineering and Technology, Cracow University of Technology, ul. Warszawska 24, 31-155 Krakow, Poland.
Faculty of Biotechnology and Horticulture, Agricultural University of Krakow, al. 29 Listopada 54, 31-425 Krakow, Poland.
Int J Mol Sci. 2022 Sep 24;23(19):11243. doi: 10.3390/ijms231911243.
Identification of betacyanins in L. and L. var. 'Rubra' fruits was performed by low- and high-resolution mass spectrometry (LRMS and HRMS) as well as H, C and two-dimensional NMR which revealed hitherto completely not known betacyanin classes in the plant kingdom. Especially, the presence of unique nitrogenous acyl moieties in the structures of the pigments was ascertained by the HRMS Orbitrap detection. Except for detected polar betacyanin glycosylated derivatives, presence of a series of previously not reported pigments such as malonylated betanidin 6---glusosides with their acyl migration isomers along with the evidence of the 3''-hydroxy-butyrylated betacyanins is reported. The first complete NMR data were obtained for novel and principal acylated gomphrenins with hydroxycinnamic acids: 6'---caffeoyl-gomphrenin (malabarin), 6'---sinapoyl-gomphrenin (gandolin), 6'---4-coumaroyl-gomphrenin (globosin) and 6'---feruloyl-gomphrenin (basellin).
通过低分辨和高分辨质谱（LRMS 和 HRMS）以及 H、C 和二维 NMR 对 L. 和 L. var. 'Rubra' 果实中的甜菜红素进行了鉴定，发现了植物界中迄今为止完全未知的甜菜红素类。特别是，通过 HRMS Orbitrap 检测确定了色素结构中独特的含氮酰基部分的存在。除了检测到的极性甜菜红素糖基化衍生物外，还存在一系列以前未报道的色素，如马来酰基甜菜苷 6---葡萄糖苷及其酰基迁移异构体，以及 3''-羟基丁酰化甜菜红素的证据。首次获得了具有羟基肉桂酸的新型和主要酰基gomphrenin 的完整 NMR 数据：6'---咖啡酰基-gomphrenin（malabarin）、6'---芥子酰基-gomphrenin（gandolin）、6'---4-香豆酰基-gomphrenin（globosin）和 6'---阿魏酰基-gomphrenin（basellin）。
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