Dataset

Tectochrysin; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82232 contains the MS mass spectrum of Tectochrysin with the InChIkey IRZVHDLBAYNPCT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3
SMILES COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O
InChI Key IRZVHDLBAYNPCT-UHFFFAOYSA-N
Molecular Formula C16H12O4
Exact Mass 268.074 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82232
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MetadataPublished 2016-01-19
Related Molecule
  • 5-hydroxy-7-methoxy-2-phenylchromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL164841 ChEMBL
    LMPK12110190 LipidMaps
    BAZGOB CCDC
    50423793 BindingDB
    HY-14592 MedChemExpress
    9426 ChEBI
    DTXSID40199962 EPA CompTox Dashboard
    J61.252I Nikkaji
    C11621 KEGG Ligand
    5281954 PubChem
    60024493 NMRShiftDB
    14750433 PubChem: Thomson Pharma
    520-28-5 ACToR
    PD087633 ProbesDrugs
    1287721 eMolecules
    SCHEMBL249043 SureChEMBL
    MCULE-4700947143 Mcule
    MTBLC9426 Metabolights
    CB1726679 ChemicalBook
    9UBO28W2AK FDA SRS
    ZINC000018136415 ZINC
    The data in this table is sourced from UniChem at EBI.