Dataset

8-Methoxypsoralen; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80645 contains the MS mass spectrum of 8-Methoxypsoralen with the InChIkey QXKHYNVANLEOEG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
SMILES COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
InChI Key QXKHYNVANLEOEG-UHFFFAOYSA-N
Molecular Formula C12H8O4
Exact Mass 216.042 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80645
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 9-methoxyfuro[3,2-g]chromen-7-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00553 drugbank
    CHEBI:18358 chebi
    8MO rcsb_pdb
    CHEMBL416 chembl
    19168 surechembl
    29376525 surechembl
    4114 pubchem
    U4VJ29L7BQ fdasrs
    8MO pdbe
    12457 gtopdb
    PD001860 probes_and_drugs
    XANTOX CCDC
    144111 brenda
    162139 brenda
    178823 brenda
    179487 brenda
    246271 brenda
    30509 brenda
    7629 brenda
    HMDB0014693 hmdb
    Molport-000-696-480 molport
    30 drugcentral
    50041234 bindingdb
    The data in this table is sourced from UniChem at EBI.