Dataset

Tectorigenin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR307575 contains the MS2 mass spectrum of Tectorigenin with the InChIkey OBBCRPUNCUPUOS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
SMILES COC1=C(O)C2=C(OC=C(C2=O)C2=CC=C(O)C=C2)C=C1O
InChI Key OBBCRPUNCUPUOS-UHFFFAOYSA-N
Molecular Formula C16H12O6
Exact Mass 300.266 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-PR307575
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL242740 ChEMBL
    C10534 KEGG Ligand
    12015584 PubChem: Drugs of the Future
    LMPK12050385 LipidMaps
    DTXSID50203286 EPA CompTox Dashboard
    MCULE-2089260732 Mcule
    9429 ChEBI
    HY-N0792 MedChemExpress
    50241222 BindingDB
    IFUPOP CCDC
    J6.452A Nikkaji
    5281811 PubChem
    60029788 NMRShiftDB
    R0U PDBe
    14849529 PubChem: Thomson Pharma
    855130H9CO FDA SRS
    548-77-6 ACToR
    PD065304 ProbesDrugs
    5757342 eMolecules
    SCHEMBL351641 SureChEMBL
    144039 Brenda
    HMDB0042024 Human Metabolome Database
    9738 Guide to Pharmacology
    CB11040716 ChemicalBook
    ZINC000000899915 ZINC
    MTBLC9429 Metabolights
    The data in this table is sourced from UniChem at EBI.