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首页> 外文期刊>Journal of chromatography, A: Including electrophoresis and other separation methods >Manual annotation combined with untargeted metabolomics for chemical characterization and discrimination of two major crataegus species based on liquid chromatography quadrupole time-of-flight mass spectrometry
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Manual annotation combined with untargeted metabolomics for chemical characterization and discrimination of two major crataegus species based on liquid chromatography quadrupole time-of-flight mass spectrometry

机译：手动注释与基于液相色谱运动时飞行时间质谱法的化学表征和两个主要Crataegus物种的化学表征和辨别的未进行的代谢组合。

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摘要

Hawthorn is a popular functional food. In China, Crataegus pinnatifida Bunge. and C. pinnatifida Bge. var. major N. E. Brown are two major species that are used for the preparation of hawthorn products. Accordingly, it is crucial to explore the chemical differences between these two species for the market standardization of hawthorn products. in this study, we integrated manual annotation with untargeted metabolomics based on ultra-high performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry for compound characterization and discrimination of the two hawthorn species. We characterized 78 compounds in the two species including saccharides, glycosides, organic acids, phenols, flavonoids and triterpenoids. Moreover, 47 differential compounds and 17 false positive ions were recognized and fully reviewed. The 47 identified compounds were then used to build a partial least squares discriminant analysis model that successfully discriminated C. pinnatifida Bge. and C pinnatifida Bge. var. major N.E.Br. (C) 2019 Elsevier B.V. All rights reserved.
机译：山楂是一种流行的功能性食品。在中国，Crataegus pinnatifida bunge。和c. pinnatifida bge。 var。主要的N. E. Brown是用于制备山楂产品的两种主要物种。因此，探讨这两种物种为山楂产品的市场标准化的化学差异至关重要。在这项研究中，基于超高效液相色谱法与超高效液相色谱法综合了手动注释，其与二桥飞行时间串联质谱法，用于复合表征和两个山楂物种的辨别。我们在两种物种中表征了78种化合物，包括糖类，糖苷，有机酸，酚，黄酮类化合物和三萜类化合物。此外，确认并完全审查了47种差分化合物和17个假阳性离子。然后使用47鉴定的化合物来构建成功区分C. pinnatifida BGE的局部最小二乘判别分析模型。和c pinnatifida bge。 var。主要的n.E.BR. （c）2019 Elsevier B.v.保留所有权利。

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