Prediction of Chemical Ionization Mass Spectrum of 3-Aminomethyl-5-methoxymethylbenzyl Alcohol by Protonation Susceptibility-Fragmentation Capability Analysis

Abstract

The CH₄-mediated chemical ionization mass spectrum was measured for a trisubstituted aromatic compound, 3-aminomethyl-5-methoxymethylbenzyl alcohol, 3-(NH₂CH₂)-5-(CH₃OCH₂)-C₆H₃-CH₂OH. The observed spectral pattern was in good agreement with that predicted by our recently reported procedure, which based on protonation susceptibility and fragmentation capability of functional groups. The present results provide the rationale for our approach to the semi-quantitative analysis of the chemical ionization mass spectrum.