Feature-based molecular networking and MS2LDA analysis for the dereplication of adjacent bis-tetrahydrofuran Annonaceous acetogenins.

Published in: Phytochemical analysis : PCA (2024)

The ESI-MS/MS-based molecular networking method provided an effective strategy for the dereplication of acetogenins in plant extracts. It is anticipated that this molecular networking approach could be extended to other types of acetogenins to facilitate rapid identification of this class of compounds.

Keyphrases

ms ms
multiple sclerosis
machine learning
mass spectrometry
single molecule
ionic liquid
quantum dots
sensitive detection
neural network
data analysis