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A study of the fragmentation of caprolactam and its methyl derivatives under electron‐impact
Author(s) -
Mitera J.,
Kubelka V.
Publication year - 1971
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210050604
Subject(s) - fragmentation (computing) , chemistry , electron ionization , cyclopentanone , mass spectrum , ion , caprolactam , molecule , polyatomic ion , deuterium , stereochemistry , ionization , organic chemistry , physics , atomic physics , computer science , catalysis , operating system
A study of the low and high‐resolution mass spectra of caprolactam (I), 1‐methylcaprolactam (II), 3‐methylcaprolactam (III), 4‐methylcaprolactam (IV), 5‐methylcaprolactam (V), 6‐methylcaprolactam (VI), 7‐methylcaprolactam (VII) and deuterium labelled compounds has facilitated the proposal of some principal fragmentation mechanisms of ionized molecules of these compounds. The base peaks in the spectra of all compounds studied (except 3‐methylcaprolactam) are the ions m/e 30 and m/e 44 respectively formed through the cleavage of the C6–C7 bond and the C2–N bond with simultaneous transfer of a hydrogen atom. It has been proved that the fragmentation of molecular ions leading to ions with the structure of cyclopentanone 2‐methylcyclopentanone and 3‐methylcyclopentanone respectively (according to the position of methyl group) is the general feature of the fragmentation of caprolactam and its methyl derivatives.