【摘要】 在电喷雾离子阱质谱仪上 ,进行了氯代血红素的MS1-MS7CID质谱研究。在各级碰撞诱导解离(CID)过程中 ,氯代血红素准分子离子[M -Cl] +的母环未发生碎裂反应 ,而与母环以碳碳单键相连的侧基依次失去。通过Hyperchem对氯代血红素分子结构的优化 ,对比各级质谱图 ,发现侧基的失去顺序与其键长有密切关系 ,键长越长 ,越优先失去。离子阱质谱仪的CID过程碰撞能量较低 ,有利于进行多级质谱分析 ,为得到母离子更详尽的结构信息提供了良好的条件更多还原

【Abstract】 The septuple collision_induced dissociation(CID)mass spectra(MS 1 ～MS 7 )of heminm chloˉride were obtained by using a commercially available electrospray ion trap mass spectrometer.During all the stages of the CID process,the main ring of hemin chloride in the quasi-molecular ion[M-Cl] + remained non_ fragmentized,while the peripheral functional groups linked to the main ring by carˉbon-carbon bonds were dissociated in a certain sequence.Taking the optimized geometric structure of hemin chloride sketched by Hyperchem as a reference,we found that there is a close relationship between the sequence ofgroup dissociation and their bond lengths.The longer the bond length is,the easier the disˉsociation is.It can be clearly seen from the fragmentation pathway that CH 2 CH 2 COOH and CH 2 COOH groups dissociate first,and then the CH 3 groups.The relatively low collision energy of the ion trap mass spectrometer is favorable for multiple_stage mass spectrometric analysis,as it can provide more detailed structure information.更多还原