Page 49 - 《中国药房》2021年22期

基于超高效液相色谱-质谱联用技术和化学计量学方法比较白芥

子炒制前后的化学成分 Δ

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贾小舟 1，2＊ ，杨小龙 ，卢晓莹 ，梁月仪 ，何民友 ，陈向东 ，魏 梅 ，孙冬梅 ，李振雨 （1.广东一方制药有限公
司/广东省中药配方颗粒企业重点实验室，广东 佛山 528244；2.广州中医药大学附属第一医院，广州
510400）
中图分类号 R284.1 文献标志码 A 文章编号 1001-0408（2021）22-2731-05
DOI 10.6039/j.issn.1001-0408.2021.22.08
摘 要 目的：比较白芥子炒制前后的化学成分。方法：采用超高效液相色谱-四极杆-静电场轨道阱质谱（UPLC-Q-Exactive
Obitrap MS）联用技术对白芥子炒制前后的化学成分进行分析。色谱柱为Waters CORTECS T3，流动相为甲醇-0.1％甲酸溶液（梯
度洗脱），流速为0.25 mL/min，柱温为30 ℃，进样量为2 μL；高分辨MS采用加热电喷雾离子源，于正离子扫描模式下扫描，扫描范
围为m/z 120～1 000。采用Compound Discover 3.2软件结合相关数据库等对白芥子炒制前后的化学成分进行鉴定，以峰面积对成
分含量变化进行初步评价，再以峰面积为变量对成分含量变化进行化学计量学分析。结果：从白芥子中共鉴定出54种化学成分，
主要为脂肪酸类（以芥子酸为代表）、生物碱类（以芥子碱为代表）、黄酮类等化合物。经炒制后共有19种化学成分的含量发生了
明显变化，其中10种显著降低、9种显著升高（P＜0.05）。主成分分析和正交偏最小二乘法判别分析均能将白芥子与炒白芥子明
显区分开。结论：白芥子经炒制后，其部分化学成分含量发生了明显变化，这可能是该药材炒制后功效发生改变的重要原因之一。
关键词 白芥子；炒制；化学成分；超高效液相色谱-四极杆-静电场轨道阱质谱联用技术；主成分分析；正交偏最小二乘法判别分析

Comparison of Chemical Constituents of Sinapis alba before and after Stir-frying Based on UPLC-MS and
Chemometrics Methods
JIA Xiaozhou ，YANG Xiaolong ，LU Xiaoying ，LIANG Yueyi ，HE Minyou ，CHEN Xiangdong ，WEI Mei ，
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SUN Dongmei ，LI Zhenyu（1. Guangdong Yifang Pharmaceutical Co.，Ltd./Guangdong Provincial Key Lab of
TCM Formula Granules Enterprise，Guangdong Foshan 528244，China；2. The First Affiliated Hospital of
Guangdong University of TCM，Guangzhou 510400，China）
ABSTRACT OBJECTIVE：To compare the chemical components in Sinapis alba before and after stir-frying. METHODS：
UPLC-Q-Exactive Obitrap MS was adopted to analyze chemical constituents of S. alba before and after stir-frying. The
determination was performed on Waters CORTECS T3 column with mobile phase consisted of methanol-0.1％ formic acid solution
（gradient elution） at the flow rate of 0.25 mL/min. The column temperature was 30 ℃ and the sample size was 2 μ L. High
resolution MS adopted heating electrospray electron source，positive ion scanning mode，scanning range m/z 120-1 000. The
chemical constituents of S. alba before and after stir-frying were identified by Compound Discover 3.2 software combined with
relevant database，and the content changes of chemical constituents were analyzed by using peak area. Chemometrics analysis was
performed for the content changes of chemical constituents using peak area as variable. RESULTS：A total of 54 chemical
components were identified in S. alba，mainly fatty acids （represented by erucic acid），alkaloids （represented by sinapine），
flavonoids. After stir-frying， the contents of 19 chemical components changed significantly， of which the contents of 10
components decreased significantly and those of 9 components increased significantly（P＜0.05）. Principal component analysis and
orthogonal partial least squares discriminant analysis could clearly distinguish S. alba from stir-fried S. alba. CONCLUSIONS：The
contents of some chemical components of S. alba change significantly after stir-frying，which may be one of the important reasons
for the change of efficacy after stir-frying.
KEYWORDS Sinapis sinapis；Stir-frying；Chemical constituents；UPLC-Q-Exactive Obitrap MS；PCA；OPLS-DA

Δ 基金项目：广东省省级科技计划项目（No.2018B030323004）； 白芥子为十字花科植物白芥 Sinapis alba L.的干燥
“广东特支计划”科技创业领军人才项目（No.2017TY04R197）
成熟种子，性温，味辛，归肺经，具有温肺祛痰、利气散
＊博士。研究方向：中药药效物质基础、中药配方颗粒。电话：
[1]
结、通络止痛之功效 。化学成分研究表明，白芥子含有
0757-85128602。E-mail：2630151879@qq.com [2]
# 通信作者：主管中药师，硕士。研究方向：中药饮片、中药配方 多糖、挥发油、脂肪酸、生物碱、黄酮等5大类成分 。药
颗粒。电话：0757-85128602。E-mail：1083656123@qq.com 理学研究证实，白芥子中的白芥子苷、脂肪油、芥子碱、

中国药房 2021年第32卷第22期 China Pharmacy 2021 Vol. 32 No. 22 ·2731 ·