Dataset

Hesperetin; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00136 contains the MS2 mass spectrum of Hesperetin with the InChIkey AIONOLUJZLIMTK-AWEZNQCLSA-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/t14-/m0/s1
SMILES COc(c3)c(O)cc(c3)[C@H](C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
InChI Key AIONOLUJZLIMTK-AWEZNQCLSA-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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00136
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (2S)-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
    520-33-2 ACToR
    LSM-20933 LINCS
    PD001966 ProbesDrugs
    Q9Q3D557F1 FDA SRS
    72281 PubChem
    16889621 PubChem: Thomson Pharma
    Hesperetin Selleck
    PA164742902 PharmGKB
    60022633 NMRShiftDB
    538412 eMolecules
    2081 Brenda
    144470 Brenda
    MTBLC28230 Metabolights
    124731 Brenda
    CB4304735 ChemicalBook
    207847 Brenda
    HMDB0005782 Human Metabolome Database
    28230 Rhea
    SCHEMBL39833 SureChEMBL
    6JP PDBe
    ZINC000000039092 ZINC
    10953 Guide to Pharmacology
    DTXSID4022319 EPA CompTox Dashboard
    1362 DrugCentral
    LMPK12140003 LipidMaps
    23418 BindingDB
    HESPERETIN rxnorm
    241674 Brenda
    J9.235E Nikkaji
    HY-N0168 MedChemExpress
    KOCGIW CCDC
    CB1724246 ChemicalBook
    DB01094 DrugBank
    CHEMBL399121 ChEMBL
    28230 ChEBI
    C01709 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.