Dataset

Catechin; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003014 contains the MS2 mass spectrum of Catechin with the InChIkey PFTAWBLQPZVEMU-DZGCQCFKSA-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/t13-,15+/m0/s1
SMILES C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChI Key PFTAWBLQPZVEMU-DZGCQCFKSA-N
Molecular Formula C15H14O6
Exact Mass 290.079 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-BS-BS003014
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • (2R,3S)-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
    DB14086 drugbank
    CHEBI:15600 chebi
    LMPK12020001 lipidmaps
    KXN rcsb_pdb
    CHEMBL311498 chembl
    19741 surechembl
    29357144 surechembl
    29360363 surechembl
    30427390 surechembl
    9064 pubchem
    5J4Y243W61 fdasrs
    8R1V1STN48 fdasrs
    PD002153 probes_and_drugs
    LUXWOR CCDC
    107792 brenda
    11219 brenda
    12489 brenda
    125926 brenda
    135214 brenda
    1437 brenda
    172016 brenda
    225101 brenda
    237754 brenda
    2453 brenda
    265486 brenda
    HMDB0002780 hmdb
    Molport-001-740-277 molport
    629 drugcentral
    23416 bindingdb
    60836 bindingdb
    The data in this table is sourced from UniChem at EBI.