Raw serum metabolomics from PCOS patients and healthy subjects
We collected serum samples from six PCOS patients and six healthy controls separately. The ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) was carried out on PCOS patients and healthy controls to identify differential lipid metabolites. The UPLC-MS analysis mass spectrometry data were compared with the human metabolomics database (Human Metabolome Database). And the length of retention time was used to determine the structural annotation of metabolites. The XCalibur Quan Browser software was used to extract the peak area of metabolites, and the peak area data was exported to Excel software for finishing. Raw serum metabolomics data includes lipid information collected in positive and negative ion modes.
Steps to reproduce
The processed serum data matrix was imported into the SIMCA-P software for principal component analysis (PCA) for quality control of samples and orthogonal partial least squares discriminant analysis (OPLS-DA) modeling analysis to identify differences between groups. The lipid metabolites with variable importance in projection (VIP) score of more than 1, with the value of |log2 (FC)|≥1 and P<0.05 were identified as differential metabolites. The differential metabolites were visualized via the volcano map and were clustered via the hierarchical clustering heatmap. Enrichment analysis and KEGG metabolic pathway analysis were performed on the MetaboAnalyst website to screen out differential metabolic pathways