Dataset

Daidzein-8-C-glucoside; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR305827 contains the MS2 mass spectrum of Daidzein-8-C-glucoside with the InChIkey HKEAFJYKMMKDOR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2
SMILES OCC1OC(C(O)C(O)C1O)C1=C(O)C=CC2=C1OC=C(C2=O)C1=CC=C(O)C=C1
InChI Key HKEAFJYKMMKDOR-UHFFFAOYSA-N
Molecular Formula C21H20O9
Exact Mass 416.382 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-RIKEN-PR305827
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 7-hydroxy-3-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-8247528856 Mcule
    5385074 PubChem
    LSM-45723 LINCS
    70048101 NMRShiftDB
    SCHEMBL13906069 SureChEMBL
    182286 ChEBI
    PD062631 ProbesDrugs
    746960 eMolecules
    CHEMBL1319403 ChEMBL
    CADQUT CCDC
    The data in this table is sourced from UniChem at EBI.