Dataset

Catechin

This MassBank record with Accession MSBNK-RIKEN-PR306208 contains the MS2 mass spectrum of Catechin with the InChIkey PFTAWBLQPZVEMU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2
SMILES OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C=C1
InChI Key PFTAWBLQPZVEMU-UHFFFAOYSA-N
Molecular Formula C15H14O6
Exact Mass 290.271 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-PR306208
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:44:04.414088
MetadataModified 2024-01-11T20:44:04.569939
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C17590 KEGG Ligand
CHEMBL206452 ChEMBL
734433 eMolecules
23053 ChEBI
FADFEZ CCDC
254994 Brenda
J213.895F Nikkaji
1203 PubChem
60015812 NMRShiftDB
PD055503 ProbesDrugs
14824812 PubChem: Thomson Pharma
18829-70-4 ACToR
SCHEMBL19411 SureChEMBL
LSM-1682 LINCS
CB7454851 ChemicalBook
CB1428151 ChemicalBook
192739 Brenda
30722 Brenda
152371 Brenda
MCULE-4219942050 Mcule
50479045 BindingDB
The data in this table is sourced from UniChem at EBI.