The Pharmaceutical School of Youjiang Medical University for Nationalities, Baise 533000,China; The Key Laboratory of Guangxi Colleges and Universities in Youjiang River Drainage Area for Studying Traditional Chinese Medicinal Herbs (folk medicine), Baise, 533000 China; Corresponding author at: The Pharmaceutical School of Youjiang Medical University for Nationalities, Baise 533000, China. Fax: +86 776 2850310.
Yao Lin
The Pharmaceutical School of Youjiang Medical University for Nationalities, Baise 533000,China; The Key Laboratory of Guangxi Colleges and Universities in Youjiang River Drainage Area for Studying Traditional Chinese Medicinal Herbs (folk medicine), Baise, 533000 China
Hui-Xiong Yuan
The Affiliated Hospital of Youjiang Medical University for Nationalities, Baise 533000, China
Wen-Pei Yang
The Pharmaceutical School of Youjiang Medical University for Nationalities, Baise 533000,China
Xian Wei
The Pharmaceutical School of Youjiang Medical University for Nationalities, Baise 533000,China; The Key Laboratory of Guangxi Colleges and Universities in Youjiang River Drainage Area for Studying Traditional Chinese Medicinal Herbs (folk medicine), Baise, 533000 China
Zu-Liang Huang
The Pharmaceutical School of Youjiang Medical University for Nationalities, Baise 533000,China; The Key Laboratory of Guangxi Colleges and Universities in Youjiang River Drainage Area for Studying Traditional Chinese Medicinal Herbs (folk medicine), Baise, 533000 China
The dataset addressed in this article relates to the research article entitled“Nicotabaflavonoidglycoside, the first example of cembranoid and flavonoid heterodimer from Nicotiana tabacum” (Yang et al., 2018) [1]. The dataset presents the MS4(879-571-421-335), MSn fragment pathways, (+) HR-ESI-MS, (−) HR-ESI-MS, UV, IR, 1H NMR, 13C NMR, HSQC, 1H–1H COSY, HMBC, ROESY, ORD and ECD data of Nicotabaflavonoidglycoside. The MS4(879-571-421-335), (+) HR-ESI-MS, (−) HR-ESI-MS, UV, IR, 1H NMR, 13C NMR, HSQC, 1H–1H COSY, HMBC, ROESY, ORD and ECD data were collected by experimental methods, and the MSn fragment pathways were acquired by analyses.