Dataset

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

This MassBank record with Accession MSBNK-BS-BS003600 contains the MS2 mass spectrum of Artocaprin with the InChIkey KRGDFVQWQJIMEK-RMKNXTFCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C26H28O6/c1-14(2)6-9-18-21(31-5)13-22-23(24(18)29)25(30)19(10-7-15(3)4)26(32-22)17-11-8-16(27)12-20(17)28/h6-9,11-14,27-29H,10H2,1-5H3/b9-6+
SMILES C(C(C([H])([H])[H])(/C(=C(/C1=C(C(=C2C(=C1O[H])C(=O)C(=C(O2)C3=C(C(=C(C(=C3[H])[H])O[H])[H])O[H])C(C(=C(C([H])([H])[H])C([H])([H])[H])[H])([H])[H])[H])OC([H])([H])[H])\[H])/[H])[H])([H])([H])[H]
InChI Key KRGDFVQWQJIMEK-RMKNXTFCSA-N
Molecular Formula C26H28O6
Exact Mass 436.189 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-BS-BS003600
Version
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:65439 chebi
    CHEMBL72617 chembl
    29580397 surechembl
    29929391 surechembl
    374230 surechembl
    5458461 pubchem
    LIBXUQ CCDC
    143498 brenda
    HMDB0030849 hmdb
    Molport-039-052-630 molport
    The data in this table is sourced from UniChem at EBI.