MassBank

MassBank is an open-access mass spectrometry spectral database and repository for small molecules, designed to support the identification of compounds by tandem mass spectrometry (MS/MS). It emphasizes high-quality, curator-approved spectra and associated metadata, enabling researchers to compare experimental data against a reference spectrum.

A typical MassBank record contains a spectrum with precursor m/z and fragment ions, together with intensity information and acquisition parameters such as collision energy and instrument type. Each spectrum is linked to compound metadata, including chemical name or synonym, molecular formula, InChI and SMILES identifiers, PubChem or other database references, and often retention time or chromatographic context when available.

Users can search MassBank by mass, formula, or by spectral features. Spectral similarity searches return candidate compounds with scores, while precise-mass queries can be complemented by metadata filters. Data are accessible via a web interface and are downloadable for offline analysis; programmatic access is supported through respective interfaces, enabling integration into pipelines and workflows. MassBank data are contributed by laboratories worldwide and curated to ensure consistency across instruments and platforms.

MassBank is one of several open or community-driven spectral resources used in metabolomics and natural products research. It complements other databases such as the MassBank of North America (MoNA), GNPS, METLIN, and NIST, and is frequently cited in studies that require reliable spectral references for compound identification.

History and scope: MassBank originated in the early 2000s as a collaborative European project and has since evolved into an international, community-driven effort to share MS/MS spectra and metadata for small molecules.