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
    10166 PubChem
    15368483 PubChem: Thomson Pharma
    16096898 PubChem: Thomson Pharma
    478-36-4 ACToR
    70032326 NMRShiftDB
    33866 Brenda
    J86.425K Nikkaji
    DTXSID40197281 EPA CompTox Dashboard
    CB11367945 ChemicalBook
    9J86WO1VYK FDA SRS
    7FTP57M80A FDA SRS
    4774 ChEBI
    C10340 KEGG Ligand
    CHEMBL594153 ChEMBL
    The data in this table is sourced from UniChem at EBI.