Dataset

Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00945 contains the MS2 mass spectrum of Curcumin with the InChIkey ZIUSSTSXXLLKKK-KOBPDPAPSA-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/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-
SMILES COc(c1)c(O)ccc(C=CC(O)=CC(=O)C=Cc(c2)cc(OC)c(O)c2)1
InChI Key ZIUSSTSXXLLKKK-KOBPDPAPSA-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00945
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MetadataPublished 2020-06-09
Related Molecule
  • (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5281767 PubChem
    PD000922 ProbesDrugs
    14901787 PubChem: Thomson Pharma
    Curcumin Selleck
    curcumin Atlas
    5757222 eMolecules
    67707 Brenda
    ZINC000100067274 ZINC
    SCHEMBL242412 SureChEMBL
    10027206 NMRShiftDB
    CURCUMIN DailyMed
    CURCUMIN rxnorm
    E-100 clinicaltrials
    CURCUMIN clinicaltrials
    E 100 clinicaltrials
    BINMEQ CCDC
    191758 BindingDB
    J755.635G Nikkaji
    J845.469H Nikkaji
    J3.265.608K Nikkaji
    CHEMBL116438 ChEMBL
    C10443 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.