Dataset

Delphinidin

This MassBank record with Accession MSBNK-RIKEN-PR306805 contains the MS2 mass spectrum of Delphinidin with the InChIkey JKHRCGUTYDNCLE-UHFFFAOYSA-O.

Chemical Info

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-PR306805
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:13.602188
MetadataModified 2024-01-11T20:40:13.765720
MetadataPublished 2019-03-28
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
DLM PDBe
031A4BN94T FDA SRS
HMDB0003074 Human Metabolome Database
J69.704D Nikkaji
SCHEMBL22370 SureChEMBL
128853 PubChem
ZINC000003777403 ZINC
MTBLC28436 Metabolights
1824 Brenda
LMPK12010001 LipidMaps
31492408 eMolecules
CHEMBL276780 ChEMBL
28436 ChEBI
C05908 KEGG Ligand
The data in this table is sourced from UniChem at EBI.