Dataset

Curcumine; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00308 contains the MS2 mass spectrum of Curcumine with the InChIkey VFLDPWHFBUODDF-FCXRPNKRSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
SMILES COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
InChI Key VFLDPWHFBUODDF-FCXRPNKRSA-N
Molecular Formula C21H20O6
Exact Mass 368.126 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-BML00308
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MetadataPublished 2016-01-19
Related Molecule
  • (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11672 drugbank
    CHEBI:3962 chebi
    CC9 rcsb_pdb
    CHEMBL140 chembl
    13521974 surechembl
    8440 surechembl
    969516 pubchem
    IT942ZTH98 fdasrs
    CC9 - Ideal conformer pdbe
    PD011359 probes_and_drugs
    QUMDIN CCDC
    14060 brenda
    226236 brenda
    696 brenda
    HMDB0002269 hmdb
    Molport-001-763-682 molport
    50140172 bindingdb
    The data in this table is sourced from UniChem at EBI.