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本文研究了十六种1,2,4-三唑衍生物的电子轰击(EI-70eV)及化学电离(CI-CH_4)质谱。应用CAD及MIKE谱以及精密质量测定方法研究了具有高效植物生长调节作用及杀菌活性的Paclobutriazol苏式(2RS,3RS)构型的立体异构体在EI-70eV条件下的碎裂途径。在十六种化合物的EI谱中,均能观察到M~(+·)。对于酮唑类[Ketone triazoles],M~(+·)较强,而对于具有极性的和热不稳定的醇唑类[Alcohol triazoles],M~(+·)很弱,但(M+1)~+较强。苏式(threo)和赤藓式(erytho)的Paclobutriazol的EI谱有显著差别。EI谱中出现[M+1]~+,并且比M~(+·)强,这可能是与化合物中性分子具有碱性点(basic site)和相应其分子离子M~(+·)中具有酸性点(Acid site)有关。
In this paper, electron bombardment (EI-70eV) and chemical ionization (CI-CH_4) mass spectra of 16 kinds of 1,2,4-triazole derivatives were studied. The disintegration pathways of Paclobutriazol threo (2RS, 3RS) stereoisomers under EI-70eV conditions were studied using CAD and MIKE spectra and precision mass spectrometry. M ~ (+ ·) was observed in the EI spectra of all sixteen compounds. For Ketone triazoles, M ~ (+) is stronger, but M ~ (+ ·) is weaker for polar and thermolabile alcohol triazoles, but (M + 1) ~ + stronger. The EI spectra of threo and erytho Paclobutriazol are significantly different. In the EI spectrum, [M + 1] ~ + appears and is stronger than M ~ (+ ·), which may be due to the fact that it has a basic site with the compound neutral molecule and the corresponding molecular ion M ~ (+ Acid point (Acid site) related.