Application of molecular networking to improve the compound annotation in liquid chromatography-mass spectrometry-based metabolomics analysis: A case study of Bupleuri radix.
Weibo QinYi WuWenyi GaoYang WangPublished in: Phytochemical analysis : PCA (2024)
The results showed that the molecular networking method fully exploits the MS information and is a promising tool for facilitating compound annotation in metabolomics studies. However, the software used for feature extraction influenced the results of library searching and molecular network construction, which need to be taken into account in future studies.
Keyphrases
- mass spectrometry
- liquid chromatography
- high resolution mass spectrometry
- gas chromatography
- high performance liquid chromatography
- capillary electrophoresis
- tandem mass spectrometry
- high resolution
- single molecule
- multiple sclerosis
- simultaneous determination
- machine learning
- healthcare
- rna seq
- deep learning
- current status