Dataset

Baicalein; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR307469 contains the MS2 mass spectrum of Baicalein with the InChIkey FXNFHKRTJBSTCS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
SMILES OC1=CC2=C(C(O)=C1O)C(=O)C=C(O2)C1=CC=CC=C1
InChI Key FXNFHKRTJBSTCS-UHFFFAOYSA-N
Molecular Formula C15H10O5
Exact Mass 270.240 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-PR307469
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 5,6,7-trihydroxy-2-phenylchromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2979 ChEBI
    CHEMBL8260 ChEMBL
    22395190 PubChem: Drugs of the Future
    C10023 KEGG Ligand
    50009001 BindingDB
    DTXSID2022389 EPA CompTox Dashboard
    LMPK12111095 LipidMaps
    5144 Guide to Pharmacology
    RAMGOB CCDC
    J22.048E Nikkaji
    3WL PDBe
    236278 Brenda
    BAICALEIN rxnorm
    BAICALEIN clinicaltrials
    DB16101 DrugBank
    1102 Brenda
    HY-N0196 MedChemExpress
    LSM-6355 LINCS
    14824071 PubChem: Thomson Pharma
    5281605 PubChem
    SCHEMBL139617 SureChEMBL
    Baicalein Selleck
    491-67-8 ACToR
    49QAH60606 FDA SRS
    PD000773 ProbesDrugs
    60023814 NMRShiftDB
    479226 eMolecules
    40175 Brenda
    CB0738154 ChemicalBook
    ZINC000003871633 ZINC
    11882 Brenda
    MTBLC2979 Metabolights
    MCULE-8669340472 Mcule
    The data in this table is sourced from UniChem at EBI.