相似分析/质谱法识别十四碳共轭二烯-1-醇双键位置异构体的研究  

IDENTIFICATION OF ISOMERIC TETRADECADIEN-I-OLS BY SIMILARITY ANALYSIS-MASS SPECTROMETRY

作　　者：王贵杰[1] 王启标[1] 袁谷[1] 何美玉[1] 

机构地区：[1]北京大学化学系,北京100871

出　　处：《质谱学报》1999年第3期39-40,共2页Journal of Chinese Mass Spectrometry Society

摘　　要：The similarities of The mass spectra of any two isomers (n and m) are represented by a similarity index [SI(n, m)]. The similarity index is calculated using a novel formula: SI(n, m) ={min[R(n, i), R(m, i)] / max[R(n, j), R(m, i)]} 100 Where R(n, j) and R(m, j) are The intensity ratio of a fragment pair (j); j is an ordinal number which is arbitrarily assigned to a selected pair of fragments. The value of similarity index ranges from 0 to 100, when n = m, The SI(n, m) = 100. Similarity indices of mass spectra of isomeric tetradecadien-1-ols were calculated by The "min.-max." Fuzzy similarity analysis. The universality of The method was confirmed by The testing with mass spectra of ten isomers of tetradecadien-1-ols.The similarities of The mass spectra of any two isomers (n and m) are represented by a similarity index [SI(n, m)]. The similarity index is calculated using a novel formula: SI(n, m) ={min[R(n, i), R(m, i)] / max[R(n, j), R(m, i)]} 100 Where R(n, j) and R(m, j) are The intensity ratio of a fragment pair (j); j is an ordinal number which is arbitrarily assigned to a selected pair of fragments. The value of similarity index ranges from 0 to 100, when n = m, The SI(n, m) = 100. Similarity indices of mass spectra of isomeric tetradecadien-1-ols were calculated by The 'min.-max.' Fuzzy similarity analysis. The universality of The method was confirmed by The testing with mass spectra of ten isomers of tetradecadien-1-ols.

关 键 词：十四碳二烯醇 共轭二烯-1-醇 双键位置 MS 

分 类 号：O623.412[理学—有机化学]