Data-dependent acquisition-mass spectrometry guided isolation of new benzoxazinoids from the roots of Acanthus mollis L

Benzoxazinoids (BXs) are phytochemicals that exert plant-protecting, allelopathic, and human-health-promoting effects. Here, we present a data-dependent acquisition-mass spectrometry based method to locate annotate BX-conjugates in different fractions of plant extract. This allows for isolation compounds much smaller percentage than common natural products yet still sufficient subsequent identification through nuclear magnetic resonance (NMR) spectroscopy. The presence BXs has been extensively studied monocotyledons, whereas only limited number studies have focused on dicotyledons. the hitherto unknown roots dicotyledonous Acanthus mollis L. determined. Two acetylated glycosylated BXs, compound 1 2-(6-acetyl-?-D-glucopyranoside)-2,4-dihydroxy-2H-1,4-benzoxazin-3(4H)-one) 2 (-2-(6-acetyl-?-D-glucopyranoside)-2-hydroxy-2H-1,4-benzoxazin-3(4H)-one), BX-derived glucoside carbamate olide, 3 (2-hydroxy-6-(2-deoxy-?-D-glucopyranosyloxy)-phenyl) carbamic acid 2?-olide), were isolated identified by NMR. These previously may contribute reported biological activities A.