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Protonation susceptibility and fragmentation capability of functional groups in chemical ionization mass spectrometry of simple bifunctional compounds. Semi‐quantitative interpretation of spectra
Author(s) -
Nakata Hisao,
Kadoguchi Kenji,
Konishi Hideyuki,
Takeda Naohito,
Tatematsu Akira
Publication year - 1993
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.1210280203
Subject(s) - protonation , bifunctional , fragmentation (computing) , chemistry , mass spectrum , chemical ionization , ion , ionization , mass spectrometry , analytical chemistry (journal) , spectral line , computational chemistry , organic chemistry , chromatography , physics , computer science , catalysis , operating system , astronomy
Positive‐ion, methane‐mediated chemical ionization mass spectra were measured for simple bifunctional aromatic compounds of the type m ‐XCH 2 C 6 H 4 CH 2 Y, where X = NH 2 and N(CH 3 ) 2 , and Y = OH and OCH 3 . Essentially only three peaks of ions, [MH] + , [MH – XH] + and [MH – YH] + , have appeared for each compound. Since the two functional groups XCH 2 – and YCH 2 – do not interact with each other after protonation or after fragmentation, they are assumed to be protonated and to undergo fragmentations independently. The relative protonation susceptibility and fraction of fragmenting [MH] + can be estimated for each functional group in these compounds. A semi‐quantitative interpretation of the observed spectra is presented.