This subproject contains targeted metabolomics raw data (mzML format) and processed quantification results from fecal samples of a valproic acid (VPA)-induced mouse model of autism spectrum disorder (ASD). The study includes three groups: control, VPA-exposed ASD model, and VPA-exposed mice treated with a prebiotic. Liquid chromatography-tandem mass spectrometry (LC-MS/MS) was performed to quantify neurotransmitters and related metabolites. These data are part of a larger study investigating the gut-brain axis mechanism underlying prebiotic-mediated behavioral rescue.