Dataset

Epigallocatechin; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA001651 contains the MS2 mass spectrum of Epigallocatechin with the InChIkey XMOCLSLCDHWDHP-IUODEOHRSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
SMILES O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1
InChI Key XMOCLSLCDHWDHP-IUODEOHRSA-N
Molecular Formula C15H14O7
Exact Mass 306.074 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA001651
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MetadataPublished 2019-07-31
Related Molecule
  • (2R,3R)-2-(3,4,5-trihydroxyphenyl)-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
    DB03823 drugbank
    LMPK12020004 lipidmaps
    EGT rcsb_pdb
    CHEMBL47386 chembl
    19553 surechembl
    29870730 surechembl
    72277 pubchem
    7Z197MG6QL fdasrs
    PD002159 probes_and_drugs
    IQEQOM CCDC
    111988 brenda
    2229 brenda
    2241 brenda
    224988 brenda
    265138 brenda
    HMDB0038361 hmdb
    Molport-003-665-790 molport
    50187665 bindingdb
    The data in this table is sourced from UniChem at EBI.