Dataset

(+/-)-Catechin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00634 contains the MS2 mass spectrum of (+/-)-Catechin with the InChIkey PFTAWBLQPZVEMU-UHFFFAOYSA-N.

Chemical Info

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	C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChI Key	PFTAWBLQPZVEMU-UHFFFAOYSA-N
Molecular Formula	C15H14O6
Exact Mass	290.079 g/mol

Data and Resources

(+/-)-CatechinHTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00634
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:25:52.044115
MetadataModified	2024-01-11T22:25:52.226688
MetadataPublished	2016-01-19

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.