Dataset

(-)-Epicatechin; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00072 contains the MS2 mass spectrum of (-)-Epicatechin with the InChIkey PFTAWBLQPZVEMU-UKRRQHHQSA-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-/m1/s1
SMILES Oc(c3)c(O)cc(c3)[C@@H](O1)[C@H](O)Cc(c(O)2)c(cc(O)c2)1
InChI Key PFTAWBLQPZVEMU-UKRRQHHQSA-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00072
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (2R,3R)-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
    72276 PubChem
    15492548 PubChem: Thomson Pharma
    60021291 NMRShiftDB
    PD002152 ProbesDrugs
    L-EPICATECHIN clinicaltrials
    90 ChEBI
    34PHS7TU43 FDA SRS
    LSM-20956 LINCS
    2545-08-6 ACToR
    504042 eMolecules
    CB0454852 ChemicalBook
    HMDB0001871 Human Metabolome Database
    DB12039 DrugBank
    42738 Brenda
    1846 Brenda
    93808 Brenda
    30120 Brenda
    28E PDBe
    SCHEMBL19412 SureChEMBL
    12013810 PubChem: Drugs of the Future
    CHEMBL583912 ChEMBL
    C09727 KEGG Ligand
    J21.603H Nikkaji
    23417 BindingDB
    DTXSID4045133 EPA CompTox Dashboard
    LMPK12020003 LipidMaps
    COWHUR CCDC
    ZINC000000119988 ZINC
    HY-N0001 MedChemExpress
    224987 Brenda
    MCULE-8775451204 Mcule
    (-)-EPICATECHIN clinicaltrials
    23425 Brenda
    The data in this table is sourced from UniChem at EBI.