Dataset

Daidzein; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UF423954 contains the MS2 mass spectrum of Daidzein with the InChIkey ZQSIJRDFPHDXIC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
SMILES OC1=CC=C(C=C1)C1=COC2=CC(O)=CC=C2C1=O
InChI Key ZQSIJRDFPHDXIC-UHFFFAOYSA-N
Molecular Formula C15H10O4
Exact Mass 254.058 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-UFZ-UF423954
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MetadataPublished 2017-01-05
Related Molecule
  • 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    49684218 PubChem: Drugs of the Future
    C10208 KEGG Ligand
    CHEMBL8145 ChEMBL
    28197 ChEBI
    2828 Guide to Pharmacology
    DAIDZEIN clinicaltrials
    HY-N0019 MedChemExpress
    DTXSID9022310 EPA CompTox Dashboard
    23420 BindingDB
    J6.014C Nikkaji
    XEKCUO CCDC
    LMPK12050038 LipidMaps
    183691 Brenda
    496368 eMolecules
    ZF1 PDBe
    14847806 PubChem: Thomson Pharma
    60015845 NMRShiftDB
    PD002203 ProbesDrugs
    Daidzein Selleck
    LSM-2935 LINCS
    486-66-8 ACToR
    6287WC5J2L FDA SRS
    SCHEMBL19814 SureChEMBL
    5281708 PubChem
    MCULE-8239511422 Mcule
    CB7173989 ChemicalBook
    DB13182 DrugBank
    MTBLC28197 Metabolights
    124050 Brenda
    56863 Brenda
    124333 Brenda
    28121 Brenda
    ZINC000018847034 ZINC
    HMDB0003312 Human Metabolome Database
    848 Brenda
    206527 Brenda
    The data in this table is sourced from UniChem at EBI.