Dataset

Phloretin; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81932 contains the MS mass spectrum of Phloretin with the InChIkey VGEREEWJJVICBM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
SMILES C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
InChI Key VGEREEWJJVICBM-UHFFFAOYSA-N
Molecular Formula C15H14O5
Exact Mass 274.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81932
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB07810 drugbank
    CHEBI:17276 chebi
    LMPK12120525 lipidmaps
    G50 rcsb_pdb
    CHEMBL45068 chembl
    38131 surechembl
    4788 pubchem
    S5J5OE47MK fdasrs
    4285 gtopdb
    PD002003 probes_and_drugs
    CIMDUB CCDC
    107644 brenda
    155332 brenda
    1762 brenda
    217934 brenda
    233935 brenda
    234443 brenda
    HMDB0003306 hmdb
    Molport-002-497-754 molport
    23446 bindingdb
    The data in this table is sourced from UniChem at EBI.