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| 创新药物川阿格雷及其拼合分子阿魏酸和川芎嗪的质谱裂解规律 |
| 吴吉洋1,高方圆1,叶晓岚1,2,刘桦1,范国荣1*,何广卫3* |
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(1. 第二军医大学药学院药物分析学教研室, 上海市药物(中药)代谢产物研究重点实验室, 上海 200433;
2. 广东药学院药物分析学教研室, 广州 510000;
3. 合肥医工医药有限公司, 合肥 230088
*通信作者) |
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| 摘要: |
| 目的 探讨创新药物川阿格雷及其拼合分子阿魏酸和川芎嗪的质谱裂解规律。 方法 在负离子检测模式下, 分别对川阿格雷、阿魏酸和川芎嗪进行电喷雾质谱分析, 并用Mass Frontier 6.0 软件辅助解析了其中的主要特征碎片离子以及可能的裂解途径；比较了川阿格雷、阿魏酸和川芎嗪的电喷雾电离质谱裂解规律, 并对其裂解规律进行系统研究。 结果 从川阿格雷获得m/z 312、283、268、193、178、149、134等特征质谱峰, 从阿魏酸获得m/z 178、149、134等特征质谱峰, 从川芎嗪获得准分子离子峰m/z 135。结论 川阿格雷主要通过丢失-CH3、-COOH和四甲基吡嗪环而发生裂解；阿魏酸主要通过丢失-CH3和-COOH而发生裂解；川芎嗪不发生裂解。 |
| 关键词: 川阿格雷 阿魏酸 川芎嗪 质谱分析法 裂解 |
| DOI：10.3724/SP.J.1008.2012.00755 |
| 投稿时间：2012-04-11修订日期：2012-05-15 |
| 基金项目:国家“重大新药创制”科技专项(2009ZX09103-123,2012ZX09102101-005). |
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| Chuan’agelei and its flatten structure ferulic acid and ligustrazine: mass fragmentation pathway |
| WU Ji-yang1, GAO Fang-yuan1, YE Xiao-lan1,2, LIU Hua1, FAN Guo-rong1*, HE Guang-wei3* |
(1. Department of Pharmaceutical Analysis, School of Pharmacy, Second Military Medical University, Shanghai Key Laboratory for Pharmaceutical(Chinese Materia Medica) Metabolite Research, Shanghai 200433, China;
2. Department of Pharmaceutical Analysis, Guangdong Pharmaceutical University, Guangzhou 510000, Guangdong, China;
3. Hefei Medical Engineering Pharmaceutical Co. Ltd., Hefei 230088, Anhui, China
*Corresponding authors.) |
| Abstract: |
| ObjectiveTo investigate the fragmentation pathways of Chuan’agelei (a new drug) and its flatten structure ferulic acid and ligustrazine. MethodsChuan’agelei, ferulic acid and ligustrazine were subjected to analysis by ESI-MSn in negative mode. Their fragmentation pathways were explained using the Mass Frontier 6.0 software. We also compared the fragmentation mechanisms of Chuan’agelei, ferulic acid and ligustrazine, and the fragmentation pathways were analyzed systematically. ResultsIon peaks m/z 312 \[M-H\]-, 283, 268, 193, 178, 149 and 134 were observed for Chuan’agelei; m/z 178\[M-H\]-, 149 and 134 for ferulic acid; and m/z 135 \[M-H\]- for ligustrazine. ConclusionChuan’agelei is cracked mainly by losing -CH3, -COOH and tetramethyl pyrazine. Ferulic acid is cracked mainly by losing -CH3 and -COOH, while ligustrazine can not be cracked. |
| Key words: Chuan’agelei ferulic acid ligustrazine mass spectrometry fragmentation |
