Analytical Chemistry — Data Braids

MassBank NIST reference spectra (63 MB) with full sweetGrass provenance braid. PFAS detection baseline.

Mass spectrometry reference data for environmental chemistry and metabolomics compound identification.

MassBank NIST reference spectra

FieldValue
Size63 MB
Files1
SourceMassBank Consortium
LicenseCC-BY-4.0
IngestedJuly 29, 2026
Provenance5/5 FULL
SpringswetSpring

NIST-validated mass spectrometry reference spectra. Standard compounds for metabolomics and environmental chemistry, including PFAS (per- and polyfluoroalkyl substances) detection reference compounds.

What’s Possible

  • Spectral matching for PFAS detection in environmental samples (wetSpring environmental chemistry pipeline)
  • Cross-reference with PubChem for compound identification from unknown spectra
  • Feed sovereign environmental monitoring workflows

The Braid

sweetGrass braid.create produced a W3C PROV-O JSON-LD attestation:

{
  "@context": "https://www.w3.org/ns/prov#",
  "@id": "urn:braid:massbank-nist-westgate-20260729",
  "prov:wasGeneratedBy": {
    "@type": "prov:Activity",
    "prov:used": "https://massbank.eu/MassBank/",
    "prov:wasAssociatedWith": "did:eco:westgate"
  },
  "prov:wasAttributedTo": "did:eco:westgate",
  "prov:generatedAtTime": "2026-07-29T...",
  "eco:license": "CC-BY-4.0",
  "eco:blake3_root": "...",
  "eco:file_count": 1,
  "eco:size_bytes": 66060288
}

See Also