Metabolomic Analysis of Medicinal Samples

First of all, use MassHunter Profinder software (version B.06.00, Agilent, California, USA) was used to extract sample data. The extracted data are normalized in MetaboAnalyst 5.0. Next, the normalized data are imported into SIMCA (version 14.1, MKS Umetrics), and principal component analysis (PCA) and orthogonal partial least square discriminant analysis (OPLS-DA) are carried out, respectively [11 (link)]. Select metabolic samples with |P(corr)| ≥0.58 and VIP >1 for further analysis. The METLIN (http://metlin.scripps.edu/) database and Human Metabolome Database (HMDB) (https://www.hmdb.ca/) were used to identify potential biomarkers. Potential markers visualized the enrichment pathway by MetaboAnalyst 5.0.