Dataset

Catechin

This MassBank record with Accession MSBNK-RIKEN-PR306256 contains the MS2 mass spectrum of Catechin with the InChIkey PFTAWBLQPZVEMU-UHFFFAOYSA-N.

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

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR306256
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:40:49.170365
MetadataModified	2025-02-09T17:41:39.915509
MetadataPublished	2019-03-28
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
192739	Brenda
152371	Brenda
30722	Brenda
23053	ChEBI
1203	PubChem
60015812	NMRShiftDB
PD055503	ProbesDrugs
14824812	PubChem: Thomson Pharma
18829-70-4	ACToR
SCHEMBL19411	SureChEMBL
LSM-1682	LINCS
734433	eMolecules
CHEMBL206452	ChEMBL
C17590	KEGG Ligand
CB7454851	ChemicalBook
CB1428151	ChemicalBook
50479045	BindingDB
MCULE-4219942050	Mcule
FADFEZ	CCDC
254994	Brenda
J213.895F	Nikkaji
The data in this table is sourced from UniChem at EBI.