Substituenteneinfluss bei der massenspektrometrischen Fragmentierung: Untersuchungen an N‐methyl‐β,β′‐diphenyl‐diäthylaminen. 19. Mitteilung über das massenspektrometrische Verhalten von Stickstoffverbindungen

Abstract

Die beschichteten Alnminiunifolien wurden im Dunkeln durch ein Corotron auf eine Spannung U, aufgeladen. Mittels cines Elektrometers wurde der Spannungsabfall im Dunkeln und bei der Belichtung mit monochromatischem Licht konstanter Intensitat gemessen. Belichtet wurde jeweils 5 Sek. nach dem Aufladen.Summary. Some ditferent substituted N-niethyl-/3,/3'-diphenyl-dicthylaniines (I) were investigated mass spectrometrically. The main fragnicntations and their genesis arc summarized in Scheme 2. Thc molecular ion gcncrates 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 logarithins of the ratios of the relative ion intcnsities a/b, c/a and d/b werc correlated according to the Hammett equation with different substituent constants. Thc following correlation coefficients (at 20ev) were found: r = 0,98 (u+). r = 0,63 (u) and r = 0,96 (5) respectively. On the basis of the above Hammett corrclations, the value of this kind of investigation for the elucidation of mass spectral fragmentation mechanisms is discussed.

Lefetamine‐derived designer drugs N‐ethyl‐1,2‐diphenylethylamine (NEDPA) and N‐iso‐propyl‐1,2‐diphenylethylamine (NPDPA): Metabolism and detectability in rat urine using GC‐MS, LC‐MSn and LC‐HR‐MS/MS

“…1, 2, 12). Rearrangements are postulated in accordance to Weibel and Hesse [25] as a result of forming alternating double bonds for increased stability, represented by losses of CH 3 in the spectrum of the parent compounds, resulted by loss of CO. Due to high resolution, the ion at m/z 169.0647 could be detected apart from m/z 169.1011, standing for another shift of 15.9949 u from the ion at m/z 153.0698, but with very low abundance. A loss of 18.0106 u from fragment ion at m/z 197.0960 to the diphenylethene ion at m/z 179.0855 (spectra nos.…”