Dataset

Bucharaine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA00371 contains the MS2 mass spectrum of Bucharaine with the InChIkey PBWIOAMUZKICDN-JLHYYAGUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H25NO4/c1-13(8-9-17(21)19(2,3)23)10-11-24-16-12-18(22)20-15-7-5-4-6-14(15)16/h4-7,10,12,17,21,23H,8-9,11H2,1-3H3,(H,20,22)/b13-10+
SMILES C/C(=C\COc1cc(O)nc2ccccc12)CCC(O)C(C)(C)O
InChI Key PBWIOAMUZKICDN-JLHYYAGUSA-N
Molecular Formula C19H25NO4
Exact Mass 331.415 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_NPDepo-NGA00371
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MetadataPublished 2018-04-04
Related Molecule
  • 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-1H-quinolin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:3203 chebi
    CHEMBL1338870 chembl
    177779 surechembl
    5338262 pubchem
    Molport-002-506-914 molport
    The data in this table is sourced from UniChem at EBI.