Metabolomics Raw Spectral Data Utilization Guide

Metabolomics is a rapidly advancing field that provides valuable insights into the complexity of biological systems. Metabolomics utilizes raw spectral data as the primary source of information for identifying and quantifying small molecules (metabolites) present in biological samples. In the context of mass spectrometry, raw spectral data consists of mass spectra representing the mass-to-charge ratio (m/z) of ions detected in the sample. Raw spectral data files are the initial data generated during a mass spectrometry-based metabolomic analysis and contain a wealth of information about the metabolites present in a sample, including their chemical structure, concentration, and interactions with other molecules.