Dataset

taxifolin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA03059 contains the MS2 mass spectrum of taxifolin with the InChIkey CXQWRCVTCMQVQX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H
SMILES O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O
InChI Key CXQWRCVTCMQVQX-UHFFFAOYSA-N
Molecular Formula C15H12O7
Exact Mass 304.259 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-RIKEN_NPDepo-NGA03059
Version
Author
Maintainer
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MetadataPublished 2018-04-04
Related Molecule
  • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    496932 BindingDB
    CB0213527 ChemicalBook
    HMDB0242509 Human Metabolome Database
    J2.227F Nikkaji
    110839 Brenda
    CHEMBL337309 ChEMBL
    38747 ChEBI
    60026008 NMRShiftDB
    14923085 PubChem: Thomson Pharma
    480-18-2 ACToR
    Taxifolin(Dihydroquercetin) Selleck
    PD014975 ProbesDrugs
    729333 eMolecules
    123517 Brenda
    82122 Brenda
    85302 Brenda
    133005 Brenda
    122986 Brenda
    1502 Brenda
    127320 Brenda
    471 PubChem
    MCULE-4254870575 Mcule
    SCHEMBL39570 SureChEMBL
    The data in this table is sourced from UniChem at EBI.