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采用直接输注电喷雾电离质谱对十六种中药来源的化合物进行了分析。观察了它们的电喷雾电离质谱和串联质谱特征 ,以了解不同结构化合物的电离能力和裂解特点。观察表明 :为使样品成分尽可能多地被检测 ,必须同时进行正负两种模式的分析。化合物结构中羰基的存在似有利于化合物在正离子模式下形成准分子离子或其它分子加和离子。当采样锥电压为 3 0 V时 ,大多数化合物能形成准分子离子或其它分子加和离子。但改变采样锥电压似不能完全避免源内裂解。建议分析时同时考察不同采样锥电压 (如 1 0 V、3 0 V和 5 0 V)。串联质谱分析被证明是获得进一步结构信息的有效手段 ,因为对于所有被观察的准分子离子和其它分子加和离子 ,均能在串联质谱分析中检测到碎片离子。本研究在四物汤的研究中已经成功地运用了该方法。此方法有助于中药混合物中样品成分的快速定性分析
Sixteen compounds derived from traditional Chinese medicine were analyzed by direct infusion electrospray ionization mass spectrometry. Their electrospray ionization mass spectrometry (MS / MS) and tandem mass spectrometry (MS / MS) were observed to understand the ionization ability and cleavage characteristics of different structural compounds. Observations show that in order for the sample components to be tested as much as possible, both positive and negative modes must be analyzed simultaneously. The presence of a carbonyl group in the compound structure may favor the formation of compounds by quasi-ionic or other molecular additions and ions in positive ion mode. When the sampling cone voltage is 30 V, most compounds can form excimer ions or other molecules plus ions. However, changing the sampling cone voltage does not seem to completely avoid source cracking. It is recommended to analyze different sampling cone voltages (eg 10 V, 30 V and 50 V) simultaneously. Tandem mass spectrometry has proven to be an effective method of obtaining further structural information because fragment ions can be detected in tandem mass spectrometry for all observed excimer and other molecules plus ions. This study has successfully used this method in the study of Siwu Tang. This method facilitates the rapid qualitative analysis of sample components in traditional Chinese medicine mixtures