综合分子网络和核磁共振代谢组学用于秦岭蜜蜂蜂蜜的深入化学分析和特征标记发现
{"_":"Integrated Molecular Networking and NMR Metabolomics for In-Depth Chemical Profiling and Characteristic Marker Discovery of Qinling Honey.","i":["Apis cerana"]}
摘要(中文译文)
深入化学表征为蜂蜜鉴别提供了关键指纹信息。本研究采用基于UHPLC-Q-TOF/MS的分子网络（MN）与基于HSQC NMR的小分子精准识别技术（SMART）相结合的综合策略，对秦岭蜂蜜的化学轮廓进行表征。共鉴定出28种代谢物，其中生物碱和脂质含量最为丰富。对主要组分进行靶向分离，得到4种生物碱（lumichrome、chestnutamide、deoxyvascinone和2-quinolone）、1种紫罗兰酮衍生物（plasiaticine I）和1种酯类（十六烷基三十烷酸酯），均为首次在蜂蜜中报道的潜在标志物。基于¹H NMR的代谢组学结合OPLS-DA分析显示，13种单花蜂蜜按植物来源聚类。利用该模型，鉴定出蜂蜜的特征性NMR信号（δ 2.28 [t]、3.45 [s]、4.05 [t] ppm），其中两个三重峰与所分离化合物的含氧亚甲基相匹配。这些发现阐明了蜂蜜的化学基础，并为鉴别提供了综合方法。
Abstract
In-depth chemical characterization provides key fingerprints for honey authentication. An integrated approach combining UHPLC-Q-TOF/MS-based molecular networking (MN) with HSQC NMR-based small molecule accurate recognition technology (SMART) was applied to characterize the chemical profile of honey from the Qinling Mountains. Twenty-eight metabolites were identified, with alkaloids and lipids being the most abundant. Targeted isolation of predominant fractions yielded four alkaloids (lumichrome, chestnutamide, deoxyvascinone, and 2-quinolone), one ionone derivative (plasiaticine I), and one ester (cetyl triacontanoate), all first reported in honey as potential markers. H NMR-based metabolomics coupled with OPLS-DA showed 13 unifloral honeys clustered by botanical origin. With this model, characteristic NMR signals of honey (δ 2.28 [t], 3.45 [s], 4.05 [t] ppm) were identified, among which the two triplets match the oxygenated methylene of the isolated compounds. These findings clarify the chemical basis of honey and provide an integrated approach for authentication.
如何引用
AMA
Sen Guo, Jing Gao, Yu Zhang, Jinchang Xiang, Haoyu Li, Wei Zhou, et al. {"_":"Integrated Molecular Networking and NMR Metabolomics for In-Depth Chemical Profiling and Characteristic Marker Discovery of Qinling Honey.","i":["Apis cerana"]}. Journal of agricultural and food chemistry. 2026; doi:10.1021/acs.jafc.6c04659.
APA
Sen Guo, Jing Gao, Yu Zhang, Jinchang Xiang, Haoyu Li, Wei Zhou, et al (2026). {"_":"Integrated Molecular Networking and NMR Metabolomics for In-Depth Chemical Profiling and Characteristic Marker Discovery of Qinling Honey.","i":["Apis cerana"]}. Journal of agricultural and food chemistry. https://doi.org/10.1021/acs.jafc.6c04659
GB/T 7714
Sen Guo, Jing Gao, Yu Zhang, Jinchang Xiang, Haoyu Li, Wei Zhou, et al. {"_":"Integrated Molecular Networking and NMR Metabolomics for In-Depth Chemical Profiling and Characteristic Marker Discovery of Qinling Honey.","i":["Apis cerana"]}[J]. Journal of agricultural and food chemistry, 2026 doi:10.1021/acs.jafc.6c04659.
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