Finding context in public data
Find where molecules have been observed.
How to choose a resource
Public data can help you investigate where a spectrum, molecule, or chemical family has been observed. Some resources begin with a query spectrum; others use a structure or sample metadata. Domain-specific collections add context such as microbial taxonomy, plants, or foods.
Check what is indexed and inspect the original study metadata. A match supports further investigation; it does not by itself establish biological origin or absence from unmeasured samples.
Tools & resources
12 entriesMASST
Free web serviceA GNPS repository-scale spectral search service for finding where a query MS/MS spectrum or related spectra occur across public metabolomics data and spectral libraries.
Search by MS/MS spectrumFASST
Free web serviceAccelerated indexed infrastructure for searching very large collections of tandem mass spectra, enabling current GNPS2 repository-scale search services to return results at billion-spectrum scale.
Fast indexed spectral searchStructureMASST
Free web serviceA GNPS2 web application for structure- and substructure-centric searching across public metabolomics repositories using chemical names, SMILES, SMARTS, and matched reference spectra.
Search by structuremicrobeMASST
Free web serviceA taxonomically informed GNPS search service that connects query MS/MS spectra to matching spectra from curated bacterial, fungal, and archaeal monoculture datasets.
Microbial reference contextplantMASST
Free web serviceA domain-specific GNPS search and exploration resource for contextualizing query MS/MS spectra across taxonomically defined plant metabolomics datasets.
Plant reference contextfoodMASST
Free web serviceA domain-specific GNPS search resource for identifying foods and beverages whose reference metabolomics data contain spectra matching a query MS/MS spectrum.
Food & beverage contextmicrobiomeMASST
Free web serviceA GNPS-associated metadata-network search resource for mapping query metabolites and MS/MS spectra across microbiome metabolomics studies, sample contexts, hosts, and microbial metadata.
Microbiome study contextPan-ReDU
Free web serviceA pan-repository metadata harmonization and search infrastructure for finding, contextualizing, downloading, and reanalyzing public metabolomics data across major repositories.
Find datasets by metadataMetabolomeXchange
Free web serviceDiscover publicly released metabolomics studies across participating repositories.
Discover public study releasesMETASPACE
Free web serviceAnnotate imaging mass-spectrometry datasets and explore community-contributed spatial metabolomes.
Explore spatial metabolomics dataGNPS2 Reverse Metabolomics
Free web serviceSearch public MS/MS data using spectrum identifiers and explore matched samples by their biological metadata.
Explore spectrum-associated sample contextsConjugated Metabolome Explorer
Free web serviceSearch public LC-MS/MS evidence for potential conjugated forms of a molecule supplied as a SMILES structure.
Explore candidate conjugations