Dataset

Catechin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR306232 contains the MS2 mass spectrum of Catechin with the InChIkey PFTAWBLQPZVEMU-UHFFFAOYSA-N.

Chemical Information

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-PR306232
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
    • 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.