untargeted metabolomics (1)

5849088062?profile=RESIZE_400xNot from concentrate (NFC) orange juice sells at a premium compared to orange juice from concentrate. Chinese researchers have used untargeted metabolomics followed by identification of potential markers from standards to distinguish the two types of orange juice. This produced 91 and 42 potential markers present in NFC orange juice using the mass spectrometer injection in positive and negative mode, including 7 tripeptides (reported for the first time in orange juice). A partial least squares discriminant analysis model, based on the potential markers in positive mode was constructed and validated with 97% and 95% accuracy for training and test. The model was successfully applied to commercial samples, and one NFC brand of orange juice was found to be possibly mislabelled.

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