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Protonation susceptibility of functional groups: A new parameter for interpreting chemical ionization mass spectra of bifunctional organic compounds
Author(s) -
Nakata Hisao
Publication year - 1992
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.1210270607
Subject(s) - protonation , bifunctional , chemistry , proton affinity , functional group , ion , ionization , mass spectrometry , mass spectrum , proton , chemical ionization , decomposition , computational chemistry , density functional theory , analytical chemistry (journal) , inorganic chemistry , organic chemistry , chromatography , polymer , physics , quantum mechanics , catalysis
A new parameter, the protonation susceptibility ( PS ), of functional groups in the chemical ionization mass spectrometry of bifunctional organic compounds is presented. In terms of quasi‐equilibrium theory of unimolecular decomposition of the molecular protonated ion of [MH] + , the relative PS corresponds to the relative area under P ( E ) curves of [MH] + ions that have a proton at different functional groups. Numerical evaluation of the PS values of pertinent functional groups was made by using particularly selected compounds. The results clearly indicate that PS is independent of proton affinity ( PA ).