The utilization of Lactobacillus plantarum (LP) in chili sauce production is well-known for its capacity to enhance product quality and sensory attributes. However, there is still limited knowledge regarding the taste-active metabolites in the sauce. To bridge this gap, our study employed metabolomics and web-based computational tools to investigate the dynamic changes of taste-active metabolites during chili sauce fermentation. By leveraging the advantages of the feature-based molecular network (FBMN), we conducted a rapid annotation of metabolites, successfully identifying 205 metabolites, a considerable portion of which were previously unreported. Through the utilization of the VirtualTaste tool, we identified dihydrosphingosine, lactic acid, isoleucine, phytosphingosine, and gluconic acid as potential taste indicators for quality control. Pathway enrichment analysis further supported their primary involvement in key biochemical pathways, including amino acid tRNA biosynthesis, phenylalanine, tyrosine, tryptophan biosynthesis, and sphingolipid metabolism. This investigation provides valuable insights into the underlying mechanisms contributing to the distinctive flavor profile of chili sauce.