IR/MS study on 3,5-dimethyladamantanamine hydrochloride salt
首发时间:2007-01-08
Abstract:Infrared spectra shows that the characteristic absorptions of 3,5-Dimethyladamantanamine hydrochloride are the overtones of NH3+ deformation vibrations at frequencies of 3171.9 cm-1, 2993.8 cm-1, and the overtones involving NH3+ deformation vibration in 2600-2000 cm-1 region. The NH3+asymmetry and symmetry deformation vibrations were found at 1596.2 and 1503.5 cm-1 with a medium intense. The 1311.6 cm-1 and 1192.2 cm-1 are attributed to rocking vibration and C-N bond stretching vibration respectively. The absorption in 2850-2950 cm-1 indicate the presence of CH3, CH2 and CH groups. The ESI mass spectrum only gives three peaks but shows essential information of molecular structure. The ]M+H] ion undergoes elimination of NH3, forming m/e 163. The m/e 107 peak is produced by a simple carbon-carbon fragmentation, followed by two-step six-numbered MaLafferty rearrangements with elimination of isobutene.
keywords: Infrared spectra ESI mass spectrum 3,5-Dimethyladamantanamine hydrochloride diastereomeric forms
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3,5-二甲基盐酸美金刚胺的IR/MS谱图研究
摘要:3.5-二甲基金刚胺盐酸盐的红外谱图IR数据显示,其NH3+伸缩振动的特征复合频率在3171.9cm-1和2993.8cm-1,同时 NH3+的伸缩振动的频率还包含在2600-2000cm-1范围之间。其中分别表示NH3+ 对称和不对称伸缩振动的是1596.2 cm-1和1503.5 cm-1的中等强度的峰,而1311.6 cm-1和1192.2 cm-1的吸收却分别是由C-C摇摆振动和C-N的伸缩振动所引起的。2850-2950 cm-1的吸收表示有CH3,CH2以及CH基团。ESI质谱虽然仅仅出现三个峰,但却给出我们此分子的结构特征信息。其中,基峰m/e=180显示的是质子化的美金刚胺的[M+1]离子,m /e=163的峰恰是由[M+H]离子碎裂,消除一NH3分子而得,荷质比 m/e=107峰是由于C-C裂分,尔后伴随两步六元环的Maclafferty重排,从而失去一分子异丁烯而得。
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No.1060496061116822****
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