Dataset

Oroxylin A; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003963 contains the MS2 mass spectrum of Oroxylin A with the InChIkey LKOJGSWUMISDOF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3
SMILES C(OC1=C(C2=C(C(=C1O[H])[H])OC(=C(C2=O)[H])C3=C(C(=C(C(=C3[H])[H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key LKOJGSWUMISDOF-UHFFFAOYSA-N
Molecular Formula C16H12O5
Exact Mass 284.068 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-BS-BS003963
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL183513 ChEMBL
    61668 ChEBI
    50430091 BindingDB
    236288 Brenda
    CB4480376 ChemicalBook
    HY-N0560 MedChemExpress
    PUZKUT CCDC
    DTXSID70197375 EPA CompTox Dashboard
    LMPK12111096 LipidMaps
    J12.179G Nikkaji
    MCULE-2436656462 Mcule
    14799799 PubChem: Thomson Pharma
    5320315 PubChem
    60060794 NMRShiftDB
    SCHEMBL431423 SureChEMBL
    53K24Z586G FDA SRS
    480-11-5 ACToR
    PD040563 ProbesDrugs
    31430372 eMolecules
    ZINC000005998558 ZINC
    14187 Brenda
    157594 Brenda
    CB41179394 ChemicalBook
    The data in this table is sourced from UniChem at EBI.