Dataset

Delphinidin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR306784 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-PR306784
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
    60022476 NMRShiftDB
    15023517 PubChem: Thomson Pharma
    13270-61-6 ACToR
    PD062974 ProbesDrugs
    31492408 eMolecules
    128853 PubChem
    SCHEMBL22370 SureChEMBL
    ZINC000003777403 ZINC
    MTBLC28436 Metabolights
    1824 Brenda
    C05908 KEGG Ligand
    CHEMBL276780 ChEMBL
    28436 ChEBI
    DLM PDBe
    031A4BN94T FDA SRS
    J69.704D Nikkaji
    HMDB0003074 Human Metabolome Database
    LMPK12010001 LipidMaps
    The data in this table is sourced from UniChem at EBI.