Dataset

6-Methoxy-7-hydroxycoumarin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR306883 contains the MS2 mass spectrum of 6-Methoxy-7-hydroxycoumarin with the InChIkey RODXRVNMMDRFIK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
SMILES COC1=C(O)C=C2OC(=O)C=CC2=C1
InChI Key RODXRVNMMDRFIK-UHFFFAOYSA-N
Molecular Formula C10H8O4
Exact Mass 192.170 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-RIKEN-PR306883
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 7-hydroxy-6-methoxychromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0034344 Human Metabolome Database
    17488 Rhea
    CB5265273 ChemicalBook
    MTBLC17488 Metabolights
    1357 Brenda
    105224 Brenda
    143805 Brenda
    41117 Brenda
    MCULE-6077230919 Mcule
    17488 ChEBI
    SCHEMBL147702 SureChEMBL
    5280460 PubChem
    KLF1HS0SXJ FDA SRS
    T83 PDBe
    PD001341 ProbesDrugs
    60020138 NMRShiftDB
    LSM-6694 LINCS
    92-61-5 ACToR
    14797350 PubChem: Thomson Pharma
    531435 eMolecules
    CHEMBL71851 ChEMBL
    C01752 KEGG Ligand
    J4.658B Nikkaji
    DTXSID0075368 EPA CompTox Dashboard
    250859 Brenda
    ZINC000000057733 ZINC
    HXMCOU CCDC
    HY-N0342 MedChemExpress
    50156693 BindingDB
    The data in this table is sourced from UniChem at EBI.