Dataset

5,7-Dimethoxy-2H-chromen-2-one; ESI-QTOF; MS2; CE: 10; [M+H]+

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000259 contains the MS2 mass spectrum of 5,7-Dimethoxy-2H-chromen-2-one with the InChIkey NXJCRELRQHZBQA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
SMILES COC1C=C(OC)C2C=CC(=O)OC=2C=1
InChI Key NXJCRELRQHZBQA-UHFFFAOYSA-N
Molecular Formula C11H10O4
Exact Mass 206.058 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-EPA-ENTACT_AGILENT000259
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Maintainer
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MetadataPublished 2023-05-02
Related Molecule
  • 5,7-dimethoxychromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL516577 SureChEMBL
    20207462 NMRShiftDB
    MCULE-8767481325 Mcule
    92946 Brenda
    HMDB0032952 Human Metabolome Database
    CB2332266 ChemicalBook
    PD001622 ProbesDrugs
    JWE1QQ247N FDA SRS
    15042853 PubChem: Thomson Pharma
    487-06-9 ACToR
    LSM-24938 LINCS
    479149 eMolecules
    CHEMBL481049 ChEMBL
    HY-N7085 MedChemExpress
    TEVMIR CCDC
    93217 BindingDB
    113528 ChEBI
    ZINC000000057754 ZINC
    J6.016J Nikkaji
    DTXSID1041421 EPA CompTox Dashboard
    2775 PubChem
    The data in this table is sourced from UniChem at EBI.