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Chemical profiles and identification of key compound caffeine in marine-derived traditional Chinese medicine Ostreae concha.

ABSTRACT: To compare the chemical differences between the medicinal and cultured oyster shells, their chemical profiles were investigated. Using the ultra performance liquid chromatography-electron spraying ionization-mass spectrometry (UPLC-ESI-MS), combined with principal component analysis (PCA) and orthogonal projection to latent structures discriminant analysis (OPLS-DA), the discrimination of the chemical characteristics among the medicinal and cultured oyster shells was established. Moreover, the chemometric analysis revealed some potential key compounds. After a large-scale extraction and isolation, one target key compound was unambiguously identified as caffeine based on extensive spectroscopic data analysis (1D and 2D NMR, MS, and UV) and comparison with literature data.

SUBMITTER: Yang X 

PROVIDER: S-EPMC3397450 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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Chemical profiles and identification of key compound caffeine in marine-derived traditional Chinese medicine Ostreae concha.

Yang Xue X   Zhou Shi-Lu SL   Ma Ai-Cui AC   Xu Hai-Tao HT   Guan Hua-Shi HS   Liu Hong-Bing HB  

Marine drugs 20120523 5

To compare the chemical differences between the medicinal and cultured oyster shells, their chemical profiles were investigated. Using the ultra performance liquid chromatography-electron spraying ionization-mass spectrometry (UPLC-ESI-MS), combined with principal component analysis (PCA) and orthogonal projection to latent structures discriminant analysis (OPLS-DA), the discrimination of the chemical characteristics among the medicinal and cultured oyster shells was established. Moreover, the c  ...[more]