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Heterocyclic studies—XXX: Application of mass spectrometry to the study of covalent hydration
Author(s) -
Clark Jim,
Cunliffe A. E.
Publication year - 1973
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.1210070609
Subject(s) - pteridine , anhydrous , chemistry , mass spectrum , fragmentation (computing) , molecule , covalent bond , metastability , mass spectrometry , computational chemistry , organic chemistry , chromatography , computer science , enzyme , operating system
Comparison of the mass spectra of 3,4‐hydrated 4‐trifluoromethylpteridine derivatives with those of corresponding anhydrous compounds shows that this technique can be used to deduce the position of covalent hydration in heterocyclic compounds. It is less easy to demonstrate the presence of added water molecules in 5,6,7,8‐dihydrated derivatives of ethyl pteridine‐4‐carboxylates, but spectra run at low ionising voltages give the required information. Two hydrates (3,4‐hydrates of 4‐ethoxycarbonyl‐ and 4‐trifluoromethyl‐pteridine‐2(1H)‐thione) which are very much more thermally stable than usual are also discussed. Metastable peaks and accurate mass measurements support many of the postulated fragmentation pathways.