Doubly charged ion mass spectra: VI—Amines

Abstract

AbstractDoubly charged ion mass spectra of 22 amines (2–10 carbon atoms) were determined using an Hitachi RMU‐7L double focusing mass spectrometer. Molecular ions were not observed in the spectra of aliphatic amines. The most intense product ion peaks in the spectra of lower molecular weight amines resulted from hydrogen elimination from the molecular ion; however, as amine molecular weight increased the largest peaks resulted from both hydrogen and heavy atom elimination from the molecular ion. Dominant ions in the doubly charged ion spectra of lower molecular weight aliphatic amines were from reactions of [CnH3N]2+ (n:=2, 3, 4) type ions. The spectra of higher molecular weight aliphatic amines spanned a wide mass range. Appearance energies for some of the more prominent ions were measured in the range from 25 to 49 eV. A geometry optimized quantum mechanical self‐consistent field molecular orbital treatment was used to compute the energies and structural parameters of prominent ions in the doubly charged ion mass spectra.