Protonation Susceptibility and Fragmentation Capability of Functional Groups in Chemical Ionization Mass Spectrometry of Simple Bifunctional Compounds. Semi-quantitative Interpretation of Spectra.

Article abstract of DOI:10.1002/oms.1210280203

Positive-ion, methane-mediated chemical ionization mass spectra were measured for simple bifunctional aromatic compounds of the type m-XCH2C6H4CH2Y, where X = NH2 and N(CH3)2, and Y = OH and OCH3.Essentially only three peaks of ions, ⁺, ⁺ and ⁺, have appeared for each compound.Since the two functional groups XCH2- and YCH2- do not interact with each other after protonation or after fragmentation, they are assumed to be protonated and to undergo fragmentation independently.The relative protonation susceptibility and fraction of fragmentating ⁺ can be estimated for each functional group in these compounds.A semi-quantitative interpretation of the observed spectra is presented.