CI mass spectra of twentyfour alkylbenzenes, C
11H
16~C
25H
44, were measured in order to elucidate the characteristic correlation between their molecular structures and the CI mass spectra. Approximately 2 μg of each sample dissolved in acetone or benzene were introduced into a Finnigan 3300E GC/QMS equipped with an OV-1 GC column. Pressure of methane or isobutane as a reagent gas in an inonization chamber was 1.0 and 0.5 Torr, respectively. The ion source temperature was maintained at 70°C. The molecular weights of all alkylbenzenes were clarified securely by (M±H)
+, M
+ and adduct ions appeared in methane and isobutane CI, especially in the latter. Alkyl substituents could be determined by observing ions formed by olefin displacement reactions, e. g., (M-13)
+, (M-27)
+, (M-41)
+ and the fragment ions such as C
nH
2+n⌉
+ and (M-C
mH
2m+1)
+, especially by methane CI. The C
7H
8+ (
m/z 92) ions and its homologous ions gave the same information as that in EI. Numbers of substituents could also be successfully estimated. Positions of substituents in di-substituted benzene isomers could be determined by observing ions such as (M+57)
+ in isobutane CI. It was generally very difficult to determine the positions of substituets in tri-substituted benzenes owing to insufficient information.
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