Dataset

Apigenin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00009 contains the MS2 mass spectrum of Apigenin with the InChIkey KZNIFHPLKGYRTM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
SMILES Oc(c3)ccc(c3)C(=C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
InChI Key KZNIFHPLKGYRTM-UHFFFAOYSA-N
Molecular Formula C15H10O5
Exact Mass 270.053 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00009
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-6141069907 Mcule
    HMDB0002124 Human Metabolome Database
    CB1384541 ChemicalBook
    ZINC000003871576 ZINC
    MTBLC18388 Metabolights
    56859 Brenda
    515 Brenda
    9939 Brenda
    15568 Brenda
    5280443 PubChem
    60018797 NMRShiftDB
    PD002200 ProbesDrugs
    7V515PI7F6 FDA SRS
    LSM-5206 LINCS
    14750506 PubChem: Thomson Pharma
    520-36-5 ACToR
    SCHEMBL19428 SureChEMBL
    Apigenin Selleck
    461015-54-3 ACToR
    478202 eMolecules
    4136 Guide to Pharmacology
    J6.601J Nikkaji
    LMPK12110005 LipidMaps
    DTXSID6022391 EPA CompTox Dashboard
    APIGENIN rxnorm
    HY-N1201 MedChemExpress
    JINJEZ CCDC
    48200 Brenda
    223510 Brenda
    48201 Brenda
    7458 BindingDB
    DB07352 DrugBank
    AGI PDBe
    CHEMBL28 ChEMBL
    C01477 KEGG Ligand
    18388 ChEBI
    56310575 PubChem: Drugs of the Future
    The data in this table is sourced from UniChem at EBI.