Dataset

Hesperitin; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01150854 contains the MS2 mass spectrum of Hesperitin with the InChIkey AIONOLUJZLIMTK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3
SMILES COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI Key AIONOLUJZLIMTK-UHFFFAOYSA-N
Molecular Formula C16H14O6
Exact Mass 302.079 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01150854
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MetadataPublished 2024-05-08
Related Molecule
  • 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL88169 ChEMBL
    766232 eMolecules
    J294.471E Nikkaji
    CANPOA CCDC
    HY-N0168A MedChemExpress
    95167 ChEBI
    DTXSID80274404 EPA CompTox Dashboard
    MCULE-9396529091 Mcule
    CB92699300 ChemicalBook
    SCHEMBL765368 SureChEMBL
    PD056258 ProbesDrugs
    LSM-6444 LINCS
    60022028 NMRShiftDB
    14873866 PubChem: Thomson Pharma
    3593 PubChem
    HMDB0030746 Human Metabolome Database
    172907 Brenda
    The data in this table is sourced from UniChem at EBI.