三唑仑苯二氮(艹卓)类药物的电喷雾质谱裂解特征

采用电喷雾/四极杆飞行时间质谱(ESI-QqTOF)联用技术,对3种三唑仑苯二氮(艹卓)类药物进行CID研究,并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(源内)和ESI-MS3质谱分别生成脱去N2分子、HCN或CH3CN分子和Cl原子的碎片离子,其中m/z 205为3种药物共有的碎片离子,这些特征可用于三唑仑苯二氮(艹卓)类药物的体内代谢转化和定量研究.

Fragmentation Behaviors of Triazolobenzodiazepines by Electrospray Ionization/Quadrupole Time-of-Flight Mass Spectrometry

To investigate fragmentation behaviors of triazolobenzodiazepines, the collision induced dissociation (CID) of electrospray ionization/quadrupole time-of-flight mass spectrometry (ESI-QqTOF) was applied to three triazolobenzodiazepines. Using the protonated pseudo-molecular ions + as internal reference compounds, the accurate mass and elemental composition of the fragment ions were determined. The MS 2 in source and MS 3 spectra of each compound gave characteristic fragmentations of +, + and M+H-HCN or CH 3CN] +, and the common ion of m/z 205 was also found. These characteristics can be used for future structure elucidation in the studies on metabolism and quantitation of triazolobenzodiazepines in human.