Mass spectrometry measures the mass-to-charge ratio (m/z) of ions produced from a sample, generating a spectrum of fragmentation patterns that serves as a molecular fingerprint. Unlike optical spectroscopy techniques, mass spectrometry directly reveals molecular weight, elemental composition, and structural information through characteristic fragmentation pathways. Techniques range from electron ionization (EI) for small molecules to MALDI and ESI for proteins and polymers.
A mass spectrometry database of verified fragmentation patterns is essential for molecular identification in metabolomics, forensic toxicology, environmental analysis, and pharmaceutical development. Comparing unknown spectra against reference libraries enables rapid, confident identification — particularly when coupled with chromatographic separation (GC-MS, LC-MS). Standardized reference spectra also support method validation and inter-laboratory reproducibility.
SpectralBench provides mass spectrometry reference spectra for chemical identification by fragmentation pattern. Browse interactive spectra, examine key fragment ions, and download in CSV or JCAMP-DX for use in spectral matching and library-based identification workflows.