小分子化合物在离子阱质谱中的分子离子反应研究

利用离子阱质谱的原理和特点，研究了小分子醇、醚、胺、醛、酮等有机化合 物（分子量小于200）在离子阱里的分子离子反应，总结了反应特点和规律，并把 它归类为自身化学电离（SCI）反应。以丁酮、丙烯醇为例，采用FTMS对反应产物 离子进行准确质量测定，验证了它们各自的分子离子反应结果。另外，把该类化合 物（30个）SCI反应的质谱图与NIST98库中的标准EI质谱图进行了比较，建立了 SCI质谱图库，提高了在离子阱质谱上对这类小分子化合物定性分析的准确率。

Study on the Ion/Molecule Reactions of Low-Mass Compounds in the Ion Trap Mass Spectrometre

The ion/molecule reactions of low-mass compounds in the ion trap MS, such as alcohol, ether, amine, aldehyde, ketone and so on, were studied. The reaction characters and disciplinarians were summarized, which were described as self-chemical ionization (SCI) reactions. The products of the ion/molecule reactions of butanone and propenol were determined by FTMS. And the accurate masses of the product ions of butanone and propenol resulting from the ion/molecule reactions were obtained. The SCI spectra were compared with the standard EI spectra(NIST98), and the database of the SCI-MS was established. Therefore the identifications of these species of low-mass compounds on the ion trap MS can be made more accurate.