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Probing reactive sites for ion‐molecule reactions of anthraquinones with dimethyl ether using an external source ion trap tandem mass spectrometer and computational chemistry
Author(s) -
Wu HuiFen,
Chen LiWei,
Chen ChienHung
Publication year - 2001
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/rcm.456
Subject(s) - chemistry , ion trap , ion , molecule , mass spectrometry , tandem mass spectrometry , dimethyl ether , analytical chemistry (journal) , dissociation (chemistry) , quadrupole ion trap , collision induced dissociation , ion source , anthraquinone , organic chemistry , chromatography , methanol
Gas‐phase ion‐molecule reactions of anthraquinone derivatives with dimethyl ether (DME) were investigated using an external source ion trap mass spectrometer. Semi‐empirical calculations were executed to determine possible reactive sites for the product ions. Collision activated dissociation (CAD) was successfully performed for very low abundance of ion‐molecule products. Even for product ions with a relative intensity below 1%, CAD experiments can be successfully performed. Significantly more structural information could be elucidated based on this special feature. Importantly, the CAD spectra of very minor ions could be measured by this ion trap instrument, which significantly enhances the future role of the ion trap as a powerful analytical instrument. CAD of all product ions on anthraquinone compounds typically eliminates neutral molecules such as CO or H 2 O. A hydration phenomenon in the CAD processes resulting from the precursor ions incorporating one molecule of H 2 O and then eliminating one molecule of CO was observed in this study. Copyright © 2001 John Wiley & Sons, Ltd.