Dataset

Cyanidin

This MassBank record with Accession MSBNK-RIKEN-PR306111 contains the MS2 mass spectrum of Cyanidin with the InChIkey VEVZSMAEJFVWIL-UHFFFAOYSA-O.

Chemical Info

molecular Image
InChI InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
SMILES OC1=CC2=[O+]C(=C(O)C=C2C(O)=C1)C1=CC(O)=C(O)C=C1
InChI Key VEVZSMAEJFVWIL-UHFFFAOYSA-O
Molecular Formula [C15H11O6]+
Exact Mass 287.247 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-PR306111
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:32:43.174271
MetadataModified 2025-02-09T18:31:04.352540
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
128861 PubChem
PD086048 ProbesDrugs
14897866 PubChem: Thomson Pharma
SCHEMBL20799 SureChEMBL
13306-05-3 ACToR
ZINC000003775158 ZINC
1072 Brenda
113230 Brenda
MTBLC27843 Metabolights
7732ZHU564 FDA SRS
20051774 NMRShiftDB
PHFAVB CCDC
50462423 BindingDB
HMDB0002708 Human Metabolome Database
J69.705B Nikkaji
LMPK12010002 LipidMaps
DTXSID10157933 EPA CompTox Dashboard
HWB PDBe
CB01341708 ChemicalBook
C05905 KEGG Ligand
CHEMBL404515 ChEMBL
27843 ChEBI
The data in this table is sourced from UniChem at EBI.