Dataset

Delphinidin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR306743 contains the MS2 mass spectrum of Delphinidin with the InChIkey JKHRCGUTYDNCLE-UHFFFAOYSA-O.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1
SMILES OC1=CC2=[O+]C(=C(O)C=C2C(O)=C1)C1=CC(O)=C(O)C(O)=C1
InChI Key JKHRCGUTYDNCLE-UHFFFAOYSA-O
Molecular Formula [C15H11O7]+
Exact Mass 303.246 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-RIKEN-PR306743
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28436 chebi
    LMPK12010001 lipidmaps
    DLM rcsb_pdb
    CHEMBL276780 chembl
    22370 surechembl
    128853 pubchem
    031A4BN94T fdasrs
    PD062974 probes_and_drugs
    1824 brenda
    236131 brenda
    HMDB0003074 hmdb
    1364047 bindingdb
    The data in this table is sourced from UniChem at EBI.