Dataset

Resveratrol; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ324103 contains the MS2 mass spectrum of Resveratrol with the InChIkey LUKBXSAWLPMMSZ-OWOJBTEDSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
SMILES Oc2cc(\C=C\c1ccc(O)cc1)cc(O)c2
InChI Key LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Molecular Formula C14H12O3
Exact Mass 228.079 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-Eawag-EQ324103
Version
Author
Maintainer
Language
MetadataPublished 2015-08-25
Related Molecule
  • 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02709 drugbank
    LMPK13090005 lipidmaps
    STL rcsb_pdb
    CHEMBL165 chembl
    19425 surechembl
    445154 pubchem
    Q369O8926L fdasrs
    CHEBI:45713 rhea
    STL pdbe
    PD001353 probes_and_drugs
    DALGON CCDC
    11594 brenda
    153447 brenda
    154437 brenda
    187281 brenda
    193055 brenda
    214951 brenda
    230158 brenda
    230159 brenda
    799 brenda
    91278 brenda
    HMDB0003747 hmdb
    Molport-002-499-801 molport
    23926 bindingdb
    The data in this table is sourced from UniChem at EBI.