Dataset

Umbelliferone; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003402 contains the MS 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 C1(=C(C(=C(C2=C1C(=C(C(=O)O2)[H])[H])[H])O[H])[H])[H]
InChI Key ORHBXUUXSCNDEV-UHFFFAOYSA-N
Molecular Formula C9H6O3
Exact Mass 162.032 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003402
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
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
    HMDB0029865 hmdb
    202118 bindingdb
    50199447 bindingdb
    50322585 bindingdb
    50376469 bindingdb
    50462247 bindingdb
    50462273 bindingdb
    50462299 bindingdb
    50462325 bindingdb
    50583712 bindingdb
    50601294 bindingdb
    50601310 bindingdb
    50611418 bindingdb
    50611428 bindingdb
    50611429 bindingdb
    50611439 bindingdb
    50640521 bindingdb
    50712057 bindingdb
    50712068 bindingdb
    50712079 bindingdb
    50712089 bindingdb
    50871883 bindingdb
    50879687 bindingdb
    50986908 bindingdb
    50995658 bindingdb
    50995675 bindingdb
    50995715 bindingdb
    50995754 bindingdb
    51067665 bindingdb
    51067670 bindingdb
    51136764 bindingdb
    51136785 bindingdb
    51196150 bindingdb
    51372444 bindingdb
    51372481 bindingdb
    51410594 bindingdb
    Molport-000-718-609 molport
    The data in this table is sourced from UniChem at EBI.