Dataset

Genistein; ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V

This MassBank record with Accession MSBNK-MSSJ-MSJ00967 contains the MS2 mass spectrum of Genistein with the InChIkey TZBJGXHYKVUXJN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
SMILES C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
InChI Key TZBJGXHYKVUXJN-UHFFFAOYSA-N
Molecular Formula C15H10O5
Exact Mass 270.053 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-MSSJ-MSJ00967
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MetadataPublished 2021-10-09
Related Molecule
  • 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    28088 ChEBI
    GEN PDBe
    49684188 PubChem: Drugs of the Future
    C06563 KEGG Ligand
    DB01645 DrugBank
    CHEMBL44 ChEMBL
    2826 Guide to Pharmacology
    229472 Brenda
    GENISTEIN rxnorm
    GENISTEIN clinicaltrials
    GENIST CCDC
    J39.883G Nikkaji
    BIO-300 clinicaltrials
    HY-14596 MedChemExpress
    43512 Brenda
    LMPK12050218 LipidMaps
    DTXSID5022308 EPA CompTox Dashboard
    377 Brenda
    229473 Brenda
    19459 BindingDB
    5280961 PubChem
    60023796 NMRShiftDB
    PD002146 ProbesDrugs
    genestein Atlas
    genistein Atlas
    15197341 PubChem: Thomson Pharma
    LSM-5549 LINCS
    446-72-0 ACToR
    SCHEMBL19166 SureChEMBL
    Genistein Selleck
    DH2M523P0H FDA SRS
    532754 eMolecules
    27105 Brenda
    CB6163787 ChemicalBook
    56864 Brenda
    PA165109660 PharmGKB
    HMDB0003217 Human Metabolome Database
    164054 Brenda
    MTBLC28088 Metabolights
    ZINC000018825330 ZINC
    MCULE-4857649752 Mcule
    The data in this table is sourced from UniChem at EBI.