Integrating Untargeted Metabolomics And Targeted Analysis For Not From Concentrate And From Concentrate Orange Juices Discrimination And Authentication
文献类型: 外文期刊
作者: Xu, L; Xu, ZZ; Kelly, S; Liao, XJ
作者机构:
关键词: Swath-Ms; Dart-Qtof; Not From Concentrate Orange Juice; Metabolomics; Tripeptide
期刊名称: FOOD CHEMISTRY
ISSN: 0308-8146
年卷期: 2020 年 329 卷
页码:
收录情况: JCR(2021版) ; EI(2021版)
摘要: Untargeted metabolomics was used to investigate the differences between orange juices from concentrate or not. Although no distinctive separation could be observed from principal component analysis for all samples, student's t-test, fold change, orthogonal projection to latent structures discriminant and detection rate analyses were conducted to find the latent potential markers. Subsequently, 91 and 42 potential markers were defined in positive/negative mode. Thirteen of them, alpha-glutamine, carvone, erucamide, lysoPE (16:0/0:0), oleic acid, alinolenic acid and 7 tripeptides (reported for the first time in orange juice) were identified with standards. A partial least squares discriminant analysis model, based on the potential markers in positive mode by direct analysis in real time mass spectrometry-quadrupole time of flight (DART-QTOF) with 9 s acquisition time, was constructed and validated with 97% and 95% accuracy for training and test. The model was applied to commercial samples successfully, and an NFC brand was found highly suspicious.
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