Dataset

Naringenin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00205 contains the MS2 mass spectrum of Naringenin with the InChIkey FTVWIRXFELQLPI-ZDUSSCGKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
SMILES Oc(c3)ccc(c3)[C@H](C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
InChI Key FTVWIRXFELQLPI-ZDUSSCGKSA-N
Molecular Formula C15H12O5
Exact Mass 272.068 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-FIO00205
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    439246 PubChem
    60021691 NMRShiftDB
    PD001602 ProbesDrugs
    16584015 PubChem: Thomson Pharma
    480-41-1 ACToR
    Naringenin Selleck
    HN5425SBF2 FDA SRS
    1016027 eMolecules
    2699 Brenda
    103754 Brenda
    586 Brenda
    56282 Brenda
    163690 Brenda
    MTBLC17846 Metabolights
    128092 Brenda
    HMDB0002670 Human Metabolome Database
    17846 Rhea
    LSM-45876 LINCS
    PA151958361 PharmGKB
    75681 Brenda
    SCHEMBL20570 SureChEMBL
    DB03467 DrugBank
    C00509 KEGG Ligand
    CHEMBL9352 ChEMBL
    NAR PDBe
    17846 ChEBI
    12015491 PubChem: Drugs of the Future
    ZINC000000156701 ZINC
    J325.849A Nikkaji
    LMPK12140001 LipidMaps
    DTXSID1022392 EPA CompTox Dashboard
    23419 BindingDB
    HY-N0100 MedChemExpress
    NARINGENIN rxnorm
    AYUJAH CCDC
    The data in this table is sourced from UniChem at EBI.