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Can electrospray ionization help the characterization of iron gall inks? Investigation on the interactions of gallic acid with iron ions in aqueous solutions
Author(s) -
Lutui MarieAnne,
Gilard Françoise,
Sablier Michel
Publication year - 2008
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/jms.1396
Subject(s) - chemistry , electrospray ionization , electrospray , fragmentation (computing) , dissociation (chemistry) , aqueous solution , ion , molecule , collision induced dissociation , mass spectrometry , ionization , gallic acid , analytical chemistry (journal) , chromatography , inorganic chemistry , organic chemistry , tandem mass spectrometry , antioxidant , computer science , operating system
In the present work, an investigation has been conducted by electrospray ionization (ESI) experiments to characterize the structures of iron gall ink complexes in solution. Simple mono and polyphenolic acid molecules added to iron sulfate salts were chosen to model the recipes of ink composition. Theoretical calculations have been used (1) to determine the stability of the ionic complexes generated in the gas phase, (2) to explain which structures are more likely generated in the electrospray ion source, and (3) to determine which mechanisms are likely involved in their formation. Fragmentation pathways of the derived structures have also been investigated and rationalized to facilitate the interpretation of the data obtained under collisionally induced dissociation (CID) conditions. The present study confirms the assumption that ESI experiments with ions that are preformed in solution must be considered carefully. As a matter of fact, the study of ion formation mechanisms in the ion source is necessary to establish relationships between the ion structures in the condensed phase and the gas phase. Copyright © 2008 John Wiley & Sons, Ltd.