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Mass Spectrometry Rearrangement Ions and Metabolic Pathways-Based Discovery of Indole Derivatives during the Aging Process in Citrus reticulata ‘Chachi’
Li, T.; Chen, K.; Wang, X.; Wang, Y.; Su, Y.; Guo, Y. Mass Spectrometry Rearrangement Ions and Metabolic Pathway-Based Discovery of Indole Derivatives during the Aging Process in Citrus reticulata ‘Chachi’. Foods2024, 13, 8.
Li, T.; Chen, K.; Wang, X.; Wang, Y.; Su, Y.; Guo, Y. Mass Spectrometry Rearrangement Ions and Metabolic Pathway-Based Discovery of Indole Derivatives during the Aging Process in Citrus reticulata ‘Chachi’. Foods 2024, 13, 8.
Li, T.; Chen, K.; Wang, X.; Wang, Y.; Su, Y.; Guo, Y. Mass Spectrometry Rearrangement Ions and Metabolic Pathway-Based Discovery of Indole Derivatives during the Aging Process in Citrus reticulata ‘Chachi’. Foods2024, 13, 8.
Li, T.; Chen, K.; Wang, X.; Wang, Y.; Su, Y.; Guo, Y. Mass Spectrometry Rearrangement Ions and Metabolic Pathway-Based Discovery of Indole Derivatives during the Aging Process in Citrus reticulata ‘Chachi’. Foods 2024, 13, 8.
Abstract
Rapid analysis and characterization of compounds by mass spectrometry may overlook trace compounds, although targeted analysis methods can significantly improve detection sensitivity, it is difficult to discover novel scaffold compounds. This study developed a strategy for discovering trace compounds in the aging process of traditional Chinese medicine based on MS fragmentation and known metabolic pathway. Specifically, we found that the characteristic component of C. reticulata 'Chachi', methyl N-methylanthranilate (MMA), fragmented in ESI-CID to produce rearrangement ion 3-hydroxyindole, which has been proven to exist in trace amounts in C. reticulata 'Chachi' comparing with the reference substance by LC-MS/MS. By combining the known metabolic pathways of 3-hydroxyindole and the possible methylation reactions that may occur during aging, 10 possible indole derivatives were untargeted predicted. These compounds were confirmed to originate from MMA by purchasing or synthesizing reference substances and all of them were detected in C. reticulata 'Chachi' through LC-MS/MS analysis, achieving trace compound analysis from untargeted to targeted. It may contribute to explain the aging mechanism of C. reticulata 'Chachi' and the strategy of CID-induced special rearrangement ion binding metabolic pathway has potential application value in discovering trace compounds.
Keywords
Citrus reticulata 'Chachi'; methyl N-methylanthranilate; mass spectrometry; 3-hydroxyindole; indole derivatives
Subject
Chemistry and Materials Science, Food Chemistry
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
