To optimize and evaluate the pseudotargeted metabolomics for juice discrimination and authentication, five widely consumed fruit (apple, orange, pear, purple grape and mandarin) juices were selected. SWATH-MS data was acquired by various windows being calculated based on total ion current, and then 2310 and 2292 MRM transitions were generated. Most of them (1522 and 1872) were detected in positive and negative modes. Distinctive separation among these juices could be observed from principal component analysis and hierarchical clustering analysis. After analysis of variance, fold change analysis and orthogonal projection to latent structures discriminant analysis, 57 potential markers were defined. Subsequently, 33 markers were putatively annotated, which could be used for juice discrimination and authentication. And 7 markers including l-phenylalanine, ascorbic acid, adenosine, epicatechin, glutathione, chlorogenic acid and nobiletin, were confirmed by standards. It is clearly indicated that pseudotargeted metabolomics could make great contribution to food industry as a new emerging technique.

中文翻译：

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伪靶向代谢组学方法在果汁判别中的应用。

为了优化和评估用于果汁鉴别和鉴定的伪靶向代谢组学，选择了五种广泛使用的水果（苹果，橙，梨，紫葡萄和普通话）果汁。通过基于总离子流计算出的各种窗口来获取SWATH-MS数据，然后生成2310和2292 MRM跃迁。他们中的大多数人（1522年和1872年）都以积极和消极的方式被发现。从主成分分析和层次聚类分析中可以观察到这些果汁之间的明显分离。经过方差分析，倍数变化分析和对潜在结构判别分析的正交投影，定义了57个潜在标记。随后，假定标记了33个标记，可用于果汁鉴别和鉴定。并通过标准确认了7种标记物，包括1-苯丙氨酸，抗坏血酸，腺苷，表儿茶素，谷胱甘肽，绿原酸和诺比汀。清楚地表明，伪靶向代谢组学作为一种新兴技术可以为食品工业做出巨大贡献。