目的 液质联用结合核磁共振对龙葵茎化学成分进行系统分析。方法 UHPLC-QExactive高分辨质谱技术，通过质谱裂解规律分析，结合分子网络预测，进行结构鉴定；核磁共振分析通过化学位移、偶合常数等进行成分鉴定。结果 液质联用和核磁共振从龙葵茎中共鉴定化合物89个，包括甾体生物碱5个，甾体皂苷28个，游离氨基酸16个，以及其他类型化合物40个。有54个化合物是首次在龙葵中检测到，包括绿原酸、6-羟基木犀草素7-槐糖苷、二羟基苯甲酸、葫芦巴碱等。结论 共振与液质联用的整合化学分析，进一步丰富了对龙葵茎的化学成分认识，为深入的药效物质基础研究奠定了基础。

Objective To investigate the chemical composition from the stem of Longkui (Solanum nigrum, SN) using LC-MS and NMR. Methods UHPLC-QExactive high resolution mass was used, and the fragmentation pattern coupled with the molecular network was applied to identify the structures. The chemical shift and coupling constant in NMR was also used to identify the chemical constituents. Results A total of 89 compounds were identified by LC-MS and NMR, including five steroid alkaloids, 28 steroid saponins, 16 free amino acids, and 40 compounds with other structure types. Among them, 54 compounds were reported for the first time in SN, such as chlorogenic acid, 6-hydroxyluteolin 7-sophoroside, dihydroxybenzoic acid, trigonelline, and etc. Conclusion The integrated chemical analysis by LC-MS and NMR identify more compounds and enrich our knowledge about the chemical composition of SN. It will lay the basis for the further study on the bioactive compounds in SN.

R284.1

地产中药功效物质研究与利用山西省重点实验室项目（201605D111004）；山西省中药材及中药饮片地方标准研究项目（2016006C）