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引用本文:张宝,匡维米,刘佳,蒋礼,李勇军,马雪.基于UPLC-Q-Exactive-Plus-Orbitrap-MS的酢浆草化学成分分析[J].中国现代应用药学,2025,42(4):1-12.
ZhangBao,Kuang Weimi,Liu Jia,Jiang Li,Li Yongjun,Ma Xue.Chemical Constituents Analysis of Oxalis corniculata Based on UPLC-Q-Exactive-Plus-Orbitrap-MS[J].Chin J Mod Appl Pharm(中国现代应用药学),2025,42(4):1-12.
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基于UPLC-Q-Exactive-Plus-Orbitrap-MS的酢浆草化学成分分析
张宝1, 匡维米2, 刘佳1, 蒋礼3, 李勇军3, 马雪3
1.贵州医科大学附属妇女儿童医院/贵阳市妇幼保健院;2.贵州医科大学贵州省药物制剂重点实验室/贵州医科大学药学院;3.贵州医科大学贵州省药物制剂重点实验室
摘要:
目的 基于超高效液相色谱-四极杆-静电场轨道阱高分辨质谱联用(UPLC-Q-Exactive-Plus-Orbitrap-MS)技术分析酢浆草的化学成分。方法 液相采用Hypersil GOLD C18色谱柱(100 mm×2.1 mm,1.9 μm),以乙腈(B)-0.1%甲酸水溶液(A)为流动相梯度洗脱,流速0.3 mL·min–1,柱温40℃,进样量1 μL。质谱采用电喷雾离子源(ESI),以正、负离子交换模式检测,扫描范围为m/z 100~1500,扫描模式为Full MS/dd-MS2。通过Compound Discoverer 3.1软件分析质谱数据,参考mzCloud、PubChem、OTCML数据库,同时结合对照品的碎片离子信息和相关文献鉴定化合物结构。结果 共鉴定了110个化学成分,包括黄酮类44个、有机酸类42个、氨基酸类7个、香豆酸类6个、生物碱类5个、醛类2个、其他成分4个。结论 本研究首次采用UPLC-Q-Exactive-Plus-Orbitrap-MS技术对酢浆草的化学成分进行定性分析,为进一步研究其药效物质基础及质量控制方法提供参考依据。
关键词:  酢浆草  超高效液相色谱-四极杆-静电场轨道阱高分辨质谱  化学成分  裂解规律
DOI:
分类号:R284.1
基金项目:贵州省科技计划项目(黔科合基础-ZK[2021]一般529;黔科合基础-ZK[2023]一般008)
Chemical Constituents Analysis of Oxalis corniculata Based on UPLC-Q-Exactive-Plus-Orbitrap-MS
ZhangBao,Kuang Weimi,Liu Jia,Jiang Li,Li Yongjun,Ma Xue
1.Maternal and Child Health Care Hospital of Guizhou Medical University /Guiyang Maternal and Child Healthcare Hospital;2.Guizhou Provincial Key Laboratory of Pharmaceutics, Guizhou Medical University,
Abstract:
OBJECTIVE To analyze the chemical constituents in Oxalis corniculata by UPLC-Q-Exactive-Plus-Orbitrap-MS technology. METHODS A Hypersil GOLD C18 column (100 mm×2.1 mm, 1.9 μm) was used for gradient elution using acetonitrile (B)-0.1% formic acid solution (A) as mobile phase. The flow rate of 0.3 mL·min–1, column temperature was 40℃, and sample size was 1 μL. The electrospray ionization (ESI) source was adopted, the scanning range was m/z 100-1500, and the scanning mode was positive and negative ion exchange mode of full scan+ddMS2. The structure of chemical constituents were determined by using Compound Discoverer 3.1 software, comparing with mzCloud, PubChem and OTCML database, and the fragment ion information of reference substances and relevant literatures. RESULTS A total of 110 compounds were identified from Oxalis corniculata, including 44 flavonoids, 42 organic acids, 7 amino acids, 6 coumarins, 5 alkaloids, 2 aldehydes and 4 other constituents. CONCLUSION In this study, the chemical constituents of Oxalis corniculata are analyzed by UPLC-Q-Exactive-Plus-Orbitrap-MS technology for the first time, which provide reference for further pharmacodynamic material basis and quality control study of the crude medicine.
Key words:  Oxalis corniculata L.  UPLC-Q-Exactive-Plus-Orbitrap-MS  chemical constituents  fragmentation pathway
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