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Substituenteneinfluss bei der massenspektrometrischen Fragmentierung: Untersuchungen an N‐methyl‐β,β′‐diphenyl‐diäthylaminen. 19. Mitteilung über das massenspektrometrische Verhalten von Stickstoffverbindungen
Author(s) -
Weibel Peter A.,
Hesse Manfred
Publication year - 1973
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19730560728
Subject(s) - chemistry , substituent , fragmentation (computing) , medicinal chemistry , stereochemistry , computer science , operating system
Abstract Some different substituted N‐methyl‐β,β′‐diphenyl‐diethylamines (I) were investigated mass spectrometrically. The main fragmentations and their genesis are summarized in Scheme 2. The molecular ion generates the major fragmentions a ( m/e 148) and b ( m/e (147 + X)); c ( m/e 105) is formed from a and d ( m/e (104+X)) from b by further decomposition. The logarithms of the ratios of the relative ion intensities a/b , c/a and d/b were correlated according to the Hammett equation with different substituent constants. The following correlation coefficients (at 20ev) were found: r = 0,98 (σ + ), r = 0,63 (σ) and r = 0,96 (σ) respectively. On the basis of the above Hammett correlations, the value of this kind of investigation for the elucidation of mass spectral fragmentation mechanisms is discussed.