Dataset

4-METHOXYPTEROCARPIN; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003134 contains the MS mass spectrum of 4-METHOXYPTEROCARPIN with the InChIkey FNOOADLKGGWRGC-ZBEGNZNMSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H16O6/c1-19-12-4-3-9-16-11(7-21-17(9)18(12)20-2)10-5-14-15(23-8-22-14)6-13(10)24-16/h3-6,11,16H,7-8H2,1-2H3/t11-,16-/m0/s1
SMILES COc(c5)c(OC)c(O4)c(c5)C([H])(O1)C([H])(C4)c(c2)c(cc(O3)c(OC3)2)1
InChI Key FNOOADLKGGWRGC-ZBEGNZNMSA-N
Molecular Formula C18H16O6
Exact Mass 328.095 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-Fac_Eng_Univ_Tokyo-JP003134
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1R,12R)-16,17-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL480288 chembl
    22296258 pubchem
    The data in this table is sourced from UniChem at EBI.