Fragmentation of the main triterpene acids of apple by LC‐APCI‐MS<sup>n</sup>

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  • Stefania Sut
    DAFNAE, Dipartimento di Agronomia, Animali, Alimenti, Risorse naturali e Ambiente University of Padova Padova Italy
  • Gabriele Poloniato
    DSF, Dipartimento di Scienze del Farmaco University of Padova Padova Italy
  • Mario Malagoli
    DAFNAE, Dipartimento di Agronomia, Animali, Alimenti, Risorse naturali e Ambiente University of Padova Padova Italy
  • Stefano Dall'Acqua
    DSF, Dipartimento di Scienze del Farmaco University of Padova Padova Italy

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<jats:title>Abstract</jats:title><jats:p>In this paper, we investigated the fragmentation of the main triterpene acids of apple using an liquid chromatography atmospheric pressure chemical ionization mass spectrometry (LC‐APCI‐MS<jats:sup>n</jats:sup>) approach and high‐resolution mass spectrometry (HR‐MS) (Q‐TOF). Triterpenes were isolated using semipreparative high‐performance liquid chromatography, and chemical structures were elucidated by HR‐MS and nuclear magnetic resonance spectroscopy. Finally, compounds were used to study MS<jats:sup>n</jats:sup> behavior in ion trap. Isolated triterpenes present similar structures, bearing carboxyl group linked to C‐17 and different substitutions. We observed significant changes in MS<jats:sup>2</jats:sup> spectra, which were useful for further compound identification. The observed fragments allowed the discrimination of different derivatives, namely, pomaceic, annurcoic, euscaphic, pomolic, corosolic, maslinic, betulinic, oleanolic, and ursolic acids. The proposed method allows a rapid identification of triterpene acids, and it could be useful for the analysis of these compounds in apple fruits and in other natural sources.</jats:p>

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