多官能团分子质谱的研究(Ⅰ)——烷基酚Mannich碱类化会物的EI谱

A Study on Mass Spectra of Multifunctional Group Molecule (1)—The Mass Spectra (EI) of Mannich Bases of Alkyl Phenol

  • 摘要: 本文报道5个烷基酚Mannich碱2,4〔(CnH_(2n+1)_2NCH_2〕(n-Cl_(12)H_(25))C_6H_3OH·HCl,(n=1,2,3,4,5)的EI谱及其解析。其中n=3,4,5为新型化合物。5种化合物的质谱未见报道。由EI谱的解析可知,它们均有强丰度的M~+·m/z 164+28(n-1)(n=1,2)胺酚结构型碎片和m/z121这一含有苄基酚型结构、强丰度的特征碎片。I%~n的曲线表明,它们的相对丰度随与N原子相联的烷基含C数n的变化有递变规律。EI谱也显示出弱丰度的烷基系列碎片,表现了与N原子相联的烷基的质谱特征。还显示出R~+和M-R~(1+)互补离子的碎片,表现了长链烷基(C_(12)H_(25))裂解的质谱特征。根据衍生物的质量位移、亚稳测定和某些碎片的精确质量,探讨了相应的裂解机理和多官能团(-OH,-NR_2,-Ar,-ArOH,-ArNR_2,-R)分子的质谱特征。

     

    Abstract: The mass Spectra (EI) and the interpretation of five Mannich bases ofalkyl phenol are reported in this article. Three (n=3,4,5) of them 2,4, (C_2H_(2n+1))_2NCH_2(n-C_(12)H_(25))C_6H_3(OH)·HCl, (n=1,2,3,4,5) are newcompounds. No data about their mass spectra have been published in litera-ture. As a consequence of the interpretation of mass spectra (EI) we know thatthere are intense peak M~+., characteristic fragments both m/z 164+28(n-1)(n=1,2) with aliphatic amine-phenol structure and m/z 121 with the type oftropliumion-phenol structure. The I%~n curves of them show that the rela-tive intensity vary decreasingly (or increasingly) with n to be appeared ascarbon atom number contained in the alkyl combined with nitrogen atom. TheEI mass spectra show that a series of weak alkyl fragmentations characterizemass spectra of alkyl combined with nitrogen atom, and coupling ions for R~+and M-R~(?+). behave as cleavage feature of long chain alkyl (C_(12)H_(25)). As aresult of mass migration, metastabe ion detection (V/B, V/B~2 linked scan)and accurate mass, it were disscussed for respective fragmentationmechanism and the mass spectral feature of mutifunctional group moleculecontained -OH、-NR_2、-Ar、-ArOH、-ArCH_2NR_2、and -R.

     

/

返回文章
返回