Dataset

Chrysin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00027 contains the MS2 mass spectrum of Chrysin with the InChIkey RTIXKCRFFJGDFG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C(c(c2)cccc2)1
InChI Key RTIXKCRFFJGDFG-UHFFFAOYSA-N
Molecular Formula C15H10O4
Exact Mass 254.058 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-FIO00027
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MetadataPublished 2016-01-19
Related Molecule
  • 5,7-dihydroxy-2-phenylchromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    57D PDBe
    CHEMBL117 ChEMBL
    56310592 PubChem: Drugs of the Future
    C10028 KEGG Ligand
    236287 Brenda
    229274 Brenda
    229275 Brenda
    DB15581 DrugBank
    CHRYSIN rxnorm
    HY-14589 MedChemExpress
    7461 BindingDB
    8789 Guide to Pharmacology
    DTXSID1022396 EPA CompTox Dashboard
    LMPK12110189 LipidMaps
    J1.544J Nikkaji
    IYIWIY CCDC
    493608 eMolecules
    3522 Brenda
    1727 Brenda
    155312 Brenda
    14167 Brenda
    HMDB0036619 Human Metabolome Database
    CB7312472 ChemicalBook
    ZINC000003872070 ZINC
    MTBLC75095 Metabolights
    136571 Brenda
    5281607 PubChem
    MCULE-7719714939 Mcule
    15441005 PubChem: Thomson Pharma
    75095 ChEBI
    60022375 NMRShiftDB
    Chrysin Selleck
    3CN01F5ZJ5 FDA SRS
    LSM-6566 LINCS
    480-40-0 ACToR
    SCHEMBL44474 SureChEMBL
    PD001621 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.