Dataset

Umbelliferone; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00496 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 O=C(C=2)Oc(c1)c(C2)ccc(O)1
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00496
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 7-hydroxychromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MTBLC27510 Metabolights
    93645 Brenda
    4113 Brenda
    2505 Brenda
    167421 Brenda
    HMDB0029865 Human Metabolome Database
    27510 Rhea
    MCULE-5007617058 Mcule
    10016208 NMRShiftDB
    SCHEMBL22018 SureChEMBL
    5281426 PubChem
    PD002087 ProbesDrugs
    60Z60NTL4G FDA SRS
    07L PDBe
    15321753 PubChem: Thomson Pharma
    hcoumarin Recon
    93-35-6 ACToR
    LSM-3960 LINCS
    533086 eMolecules
    CHEMBL51628 ChEMBL
    87550949 PubChem: Drugs of the Future
    C09315 KEGG Ligand
    27510 ChEBI
    DETFOX CCDC
    J4.673F Nikkaji
    DTXSID5052626 EPA CompTox Dashboard
    ZINC000000058111 ZINC
    HY-N0573 MedChemExpress
    50174558 BindingDB
    CB1854673 ChemicalBook
    The data in this table is sourced from UniChem at EBI.