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Mass Spectrometry of 1,3- And 1,5-dicaffeoylquinic Acids

Karl Schram, Petra Miketova, Jiri Slanina, Otakar Humpa, Eva Taborska

J Mass Spectrom. 2004 Apr;39(4):384-95.

PMID: 15103652

Abstract:

Samples of 1,3- (1) and 1,5-dicaffeoylquinic acid (2) and their hexaacetate derivatives were examined using positive and negative electrospray ionization mass spectrometry and tandem mass spectrometry. Differences in the various spectra allow the discrimination of each of the isomers. Specific losses in the spectra of 2 also permit the identification of the site of substitution of one of the caffeic acid moieties as being at the 5-position. The spectra of 3,5- (3) and 4,5-dicaffeoylquinic (4) acids and their hexaacetate derivatives were compared with those of 1 and 2 and their derivatives, and differences in ion abundances or the presence/absence of specific ions can be used to identify uniquely each of the compounds.

Chemicals Related in the Paper:

Catalog Number Product Name Structure CAS Number Price
AP19870463 1,5-Dicaffeoylquinic acid 1,5-Dicaffeoylquinic acid 19870-46-3 Price
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