Dataset

Kaempferol-4'-methyl ether; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR306455 contains the MS2 mass spectrum of Kaempferol-4'-methyl ether with the InChIkey SQFSKOYWJBQGKQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
SMILES COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
InChI Key SQFSKOYWJBQGKQ-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-PR306455
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J13.293D Nikkaji
    DTXSID9034155 EPA CompTox Dashboard
    LMPK12110563 LipidMaps
    50084978 BindingDB
    HY-15449 MedChemExpress
    MCULE-9836342232 Mcule
    172909 Brenda
    CHEMBL40919 ChEMBL
    6099 ChEBI
    C10098 KEGG Ligand
    4368580 eMolecules
    5281666 PubChem
    60022383 NMRShiftDB
    PD012582 ProbesDrugs
    15443836 PubChem: Thomson Pharma
    491-54-3 ACToR
    SCHEMBL426774 SureChEMBL
    508XL61MPD FDA SRS
    124053 Brenda
    13699 Brenda
    56862 Brenda
    111079 Brenda
    136804 Brenda
    30766 Brenda
    172825 Brenda
    HMDB0037441 Human Metabolome Database
    CB0387974 ChemicalBook
    ZINC000006411540 ZINC
    MTBLC6099 Metabolights
    The data in this table is sourced from UniChem at EBI.