Dataset

Austricine; LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00564 contains the MS2 mass spectrum of Austricine with the InChIkey YMUOZXZDDBRJEP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H18O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,8,10,12-14,17H,4H2,1-3H3
SMILES CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)O
InChI Key YMUOZXZDDBRJEP-UHFFFAOYSA-N
Molecular Formula C15H18O4
Exact Mass 262.121 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-BML00564
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:181961 chebi
    CHEMBL1625152 chembl
    99114 pubchem
    PD053419 probes_and_drugs
    HMDB0303511 hmdb
    The data in this table is sourced from UniChem at EBI.