Dataset

Umbelliferone; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA003262 contains the MS2 mass spectrum of Umbelliferone with the InChIkey ORHBXUUXSCNDEV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
SMILES c1cc(cc2c1ccc(=O)o2)O
InChI Key ORHBXUUXSCNDEV-UHFFFAOYSA-N
Molecular Formula C9H6O3
Exact Mass 162.032 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA003262
Version
Author
Maintainer
Language
MetadataPublished 2020-02-22
Related Molecule
  • 7-hydroxychromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27510 chebi
    07L rcsb_pdb
    CHEMBL51628 chembl
    22018 surechembl
    29396070 surechembl
    5281426 pubchem
    60Z60NTL4G fdasrs
    PD002087 probes_and_drugs
    DETFOX CCDC
    167421 brenda
    2505 brenda
    4113 brenda
    93645 brenda
    07L - Ideal conformer pdbe
    HMDB0029865 hmdb
    Molport-000-718-609 molport
    50174558 bindingdb
    The data in this table is sourced from UniChem at EBI.