Dataset

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

This MassBank record with Accession MSBNK-UFZ-UF423901 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-UF423901
Version
Author
Maintainer
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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
    DB13182 drugbank
    CHEBI:28197 chebi
    LMPK12050038 lipidmaps
    ZF1 rcsb_pdb
    CHEMBL8145 chembl
    19814 surechembl
    29374778 surechembl
    5281708 pubchem
    6287WC5J2L fdasrs
    2828 gtopdb
    PD002203 probes_and_drugs
    XEKCUO CCDC
    124050 brenda
    124333 brenda
    183691 brenda
    206527 brenda
    28121 brenda
    56863 brenda
    848 brenda
    HMDB0003312 hmdb
    1464183 bindingdb
    221287 bindingdb
    225627 bindingdb
    225644 bindingdb
    42520 bindingdb
    50014247 bindingdb
    50014248 bindingdb
    50153601 bindingdb
    50167680 bindingdb
    50189779 bindingdb
    50221830 bindingdb
    50221833 bindingdb
    50259351 bindingdb
    50259367 bindingdb
    50339531 bindingdb
    50340615 bindingdb
    50340645 bindingdb
    50428940 bindingdb
    50428947 bindingdb
    50432507 bindingdb
    50432554 bindingdb
    50432607 bindingdb
    50432663 bindingdb
    50432721 bindingdb
    50555472 bindingdb
    50583427 bindingdb
    50590237 bindingdb
    50732959 bindingdb
    50828319 bindingdb
    50828338 bindingdb
    50838006 bindingdb
    50875323 bindingdb
    51158862 bindingdb
    51168169 bindingdb
    51168194 bindingdb
    51168196 bindingdb
    51173710 bindingdb
    51173725 bindingdb
    51184025 bindingdb
    51193042 bindingdb
    51195077 bindingdb
    51216154 bindingdb
    51216156 bindingdb
    51322722 bindingdb
    51336632 bindingdb
    51336735 bindingdb
    51464205 bindingdb
    51464209 bindingdb
    51516787 bindingdb
    51516791 bindingdb
    Molport-000-003-017 molport
    The data in this table is sourced from UniChem at EBI.