D. Swain et al., POSITIONAL ISOMER DIFFERENTIATION OF MONOALKYLATED NAPHTHALENES USINGPRINCIPAL COMPONENTS-ANALYSIS AND MASS-SPECTROMETRY, Analytical chemistry, 68(18), 1996, pp. 3244-3249
Tandem mass spectrometry has been used to differentiate positional iso
mers of some monoalkylated naphthalenes. The basis of the distinction
is the cluster of peaks from m/z 150 to 155. Principal components anal
ysis can extract isomer-specific information that is not obvious from
simple visual inspection of the spectra. The analysis led to the obser
vation of similar trends in single-stage electron impact mass spectra.