| 质谱同位素峰重叠的剥离方法和应用 |
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| 引用本文： | 蔡元坝,陈振涛.质谱同位素峰重叠的剥离方法和应用[J].结构化学,1992,11(3):228-234. |
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| 作者姓名： | 蔡元坝 陈振涛 |
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| 作者单位： | 中国科学院福建物质结构研究所福州结构化学开放研究实验室 福州
(蔡元坝，陈振涛)，中国科学院福建物质结构研究所福州结构化学开放研究实验室 福州(戴亮) |
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| 摘 要： | 质谱同位素峰重叠是质谱常见而棘手问题。本文采用最小二乘法进行拟合,以使计算模拟的和实验观察的同位素簇峰间的强度差为最小。从而算出实验簇峰谱包络中可能包含的离子种及其相对强度比。本程序用VAX-11 FORTRAN语言编写并在VAX-11/785计算机上运行。
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| 关 键 词： | 质谱 冈位素 峰重叠 剥离法 应用 |
Analysis of the Overlap of Isotopic Peaks in Mass Spectrometry and its Application |
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| Abstract: | The Overlap of Isotopic Cluster peaks is usually present and a knotty problem in mass spec-trometry. The intensities of the individual ions within this envelope of Isotopic Cluster peaks depend on the percentages of the presence of ionic species. We have used the least-squares method to minimize the difference in the intensities between the observed and the Calculated isotopic Cluster peaks.In this paper we report the calculated equation based on the least-squares and edited Isotopic Cluster peaks Overlap Calculated program (ICPOCP) The program is written with VAX-11 FORTRAN and run on VAX-11/785 Computer. |
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