Dataset

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

This MassBank record with Accession MSBNK-Fiocruz-FIO00611 contains the MS2 mass spectrum of Eleutherin with the InChIkey IAJIIJBMBCZPSW-DTWKUNHWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H16O4/c1-8-7-11-13(9(2)20-8)16(18)14-10(15(11)17)5-4-6-12(14)19-3/h4-6,8-9H,7H2,1-3H3/t8-,9+/m0/s1
SMILES COc(c3)c(c(=O)1)c(cc3)c(=O)c(C2)c([C@@H](C)O[C@@H](C)2)1
InChI Key IAJIIJBMBCZPSW-DTWKUNHWSA-N
Molecular Formula C16H16O4
Exact Mass 272.105 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-FIO00611
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,3S)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:4774 chebi
    CHEMBL594153 chembl
    30498654 surechembl
    10166 pubchem
    7FTP57M80A fdasrs
    9J86WO1VYK fdasrs
    PD211350 probes_and_drugs
    33866 brenda
    DTXSID40197281 comptox
    Molport-049-227-379 molport
    The data in this table is sourced from UniChem at EBI.