Collision-induced dissociation of a series of coumarins studied by positive- and negative-ion electrospray triple quadrupole tandem mass spectrometry

Eur. J. Mass Spectrom. 10, 523–539 (2004)
DOI: 10.1255/ejms.658

Collision-induced dissociation of a series of coumarins studied by positive- and negative-ion electrospray triple quadrupole tandem mass spectrometry

Lidija Lerman, Andreja Čempuh Klonkay, Anita Filipović and Ivaylo Elenkov^*
Pliva, Research and Development, Zagreb, Croatia

ABSTRACT:

Aryl-substituted 4-hydroxycoumarins (1–57) were investigated by electrospray ionisation (ESI) mass spectrometry. Their fragmentation in the ion source or in the collision cell of a triple quadrupole mass spectrometer was investigated. The effect of the substituents in the aromatic ring on the fragmentation of the 4- hydroxycoumarin derivatives is shown. The influence of the tautomerism on the formation of quasimolecular ions and mass spectral fragmentation was explained. Mass spectral studies on some deuterated compounds proved some of the proposed fragmentation pathways. Results obtained are very useful in the process of detection and characterisation of 4-hydroxycoumarins, as well as for structural elucidation of their more complex derivatives.

Keywords: mass spectrometry, ESI, fragmentation, coumarins, substituents effect on fragmentation

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