利用质谱－质谱法进行稠环芳烃化合物的结构解析

Structural Analysis of Condensed Polycyclic Aromatic Compounds by Tandem Mass Spectrometry

应用（ＥＩ）ＭＳ／Ｍｓ法研究了吡啶并苯并蒽酮以及苯并苯并蒽酮类异构体的裂解方式及其与结构之间的相关性，探讨了不同异构体中由Ｍ￣（ｉ＋）产生的［Ｍ－Ｈ］＋、［Ｍ－ＨＣＮ］＋、［Ｍ－ＣＯＨ］＋、［Ｍ－ＣＯ］（ｉ＋）、［Ｍ－（ＣＯ＋２Ｈ）］（ｉ＋）以及［Ｍ－（ＣＯ＋ＨＣＮ）］（ｉ＋）（ｉ＝１，２）等１价及２价离子在ＭＳ／ＭＳ－ＣＩＤ谱上的强度差异和裂解方式，发现是否含有氮原子以及氮原子和苯环位置的差异，是支配这类化合物在ＣＩＤ谱中裂解行为的主要因素。研究结果表明，２价离子的ＣＩＤ谱能更有效地反映这类杂环芳烃异构体之间的结构差异和裂解特性。

The fragmentation mechanisrn of four isomers of pyridino and benzobenzanthrones was investigated by(EI)tandem mass spectrometry (MS/MS).The relationship between fragmentation pathways and structural characteristics was also discussed. Initial fragmentation pathways have been estimated by the intensities of fragmemt ions[M一H]+,[MHCN]+,[M一COH]+, [M一CO]i+, [M一(CO+2H)]i+ and[M一(CO+HCN)]i+ produced from Mi+ (i=1, 2). They indicated remarkable differences and very interesting features depending upon the isomer' s component with or without nitrogen, and also the condensation positions of a pyridino or benzo ring to the benzanthrone skeleton. The collisioninduced dissociation(CID)spectra of M2+ ion showed more effectively specific differentiation for their fragmentation behaviors reflecting the structural characteristics of these isomers.