电喷雾电离-四极杆飞行时间质谱法研究三种β_2-受体激动剂的质谱裂解特征

Electrospray Ionization-quadrupole Time of Flight Mass Spectrometry for Fragmentation Behavior Studies of Three β_2 Adrenergic Agonists

采用电喷雾电离 -四极杆飞行时间质谱 ( ESI-Qq TOFMS)联用技术 ,对三种β2 -受体激动剂克仑特罗( Clenbuterol)、沙丁胺醇 ( Salbutamol)和盐酸 SPFF进行碰撞诱导解离 ( Collision induced dissociation,CID)研究。将三种药物标准品用甲醇溶解至 0 .1μg/m L直接进样 ,选择正离子方式进行检测。以质子化准分子离子 [M+H]+ 作为内标物 ,对碎片离子进行了准确质量测定 ,确认了这些碎片离子的元素组成 ,探讨了该类化合物的质谱裂解规律。研究发现 :它们的 ESI-MS2质谱分别生成脱去 H2 O分子、叔丁氨基等的碎片离子 ,其中叔丁氨基碎片离子 ( m/z74)为三种药物共有的碎片离子 ,这些特征可为 β2 -受体激动剂类药物的体内代谢转化和定量分析研究提供有力的依据。

A method used of collision induced dissociation (CID) was applied for the studied of fragmentation behavior of three β 2 adrenergic agonists, clenbuterol, salbutamol and SPFF. Electrospray ionization/quadrupole time of flight mass spectrometry (ESI QqTOFMS) in positive ion mode was used to detect three β 2 adrenergic agonist. The standard samples of three drugs were prepared with methanol. The sample with the concentration of 0.1 μg/mL was directly injected into electrospray ionization system. The protonated quasimolecular ion [M+H] + was selected as internal reference ion for collection. The accurate masses and elemental compositions of the fragment ions were determined. The proposed fragmentation patterns of the mass spectra were explained. The ESI MS 2 analyses indicated that the spectra of the characteristic fragmentations of [M+H H 2O] +, [M+H 74] +, and the common fragment ion of m/z 74 were also found. These characteristics can be used of the future structure elucidation in the studies on metabolism and quantitative analysis of these drugs in human.