Ontology highlight
ABSTRACT: The main experimental workflow consists of sample collection, metabolite extraction, quality control sample preparation, liquid chromatography-mass spectrometry measurement, and downstream bioinformatic analysis. Samples are preprocessed for metabolite extraction, and pooled QC samples are generated to assess instrument stability and assay reproducibility. All experimental samples and pooled QC samples are analyzed using liquid chromatography coupled with mass spectrometry to acquire raw mass spectrometry data. The raw MS files undergo format conversion, peak alignment, retention time correction, and peak area extraction. Subsequent data preprocessing includes metabolite structural annotation, missing value imputation, and data normalization. The overall dataset quality is evaluated based on signals from QC samples; outlier samples and low-quality feature peaks are removed. Systematic data analysis involves univariate statistics, multivariate statistics, differential metabolite screening, metabolite correlation analysis, machine learning modeling, curve analysis, and pathway enrichment analysis. These analyses aim to resolve metabolic phenotypic differences among samples and uncover the underlying biological regulatory mechanisms.
INSTRUMENT(S): Liquid Chromatography MS - negative - reverse-phase, Liquid Chromatography MS - positive - reverse-phase
PROVIDER: MTBLS15852 | MetaboLights | 2026-10-17
REPOSITORIES: MetaboLights