Establishing an untargeted-to-MRM liquid chromatography-mass spectrometry method for discriminating reconstituted milk from ultra-high temperature milk

文献类型： 外文期刊

第一作者： Tan, Dongfei

作者： Tan, Dongfei;Zhang, Xia;Su, Meicheng;Jia, Man;Zhu, Dan;Chen, Gang;Zhu, Dan;Kebede, Biniam;Wu, Huaxing;Wu, Huaxing

作者机构：

关键词： Reconstituted milk; Ultra-high temperature milk; UPLC-Q-TOF-MS; Metabolomics; Biomarkers

期刊名称：FOOD CHEMISTRY （ 影响因子：7.514； 五年影响因子：7.516 ）

ISSN： 0308-8146

年卷期： 2021 年 337 卷

页码：

收录情况： SCI

摘要： The counterfeit use of reconstituted milk to simulate fresh milk in some countries is largely driven by profiteering; hence, establishing a robust market-surveillance method is an important objective. In this study, an untargeted metabolomics approach that uses ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) was established to discover biomarkers that can be used to classify UHT and reconstituted milk. Furthermore, 36 positive- and 24 negative-ionization mode features were selected as candidate markers to establish a UPLC-tandem mass spectrometry (UPLC-MS/MS) multiple reaction monitoring (MRM) method. The support vector machine (SVM) method was used to process the responses of the selected potential markers, and 100% classifiability was observed. The marker metabolites could be divided into three categories by hierarchical clustering analysis: peptides, lipids, and nucleic acids. The results suggest that the untargeted-to-MRM metabolomics method is an effective tool for distinguishing between UHT and reconstituted milk.

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