Dataset

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

This MassBank record with Accession MSBNK-BS-BS003052 contains the MS2 mass spectrum of Prunetin with the InChIkey KQMVAGISDHMXJJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
SMILES C(OC1=C(C(=C2C(=C1[H])OC(=C(C2=O)C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])[H])O[H])[H])([H])([H])[H]
InChI Key KQMVAGISDHMXJJ-UHFFFAOYSA-N
Molecular Formula C16H12O5
Exact Mass 284.068 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003052
Version
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    6919 Guide to Pharmacology
    LMPK12050353 LipidMaps
    DTXSID3022530 EPA CompTox Dashboard
    HY-N2597 MedChemExpress
    50359990 BindingDB
    J61.257J Nikkaji
    C10521 KEGG Ligand
    CHEMBL491174 ChEMBL
    8600 ChEBI
    HMDB0034127 Human Metabolome Database
    164048 Brenda
    16807 Brenda
    CB0131757 ChemicalBook
    ZINC000018847044 ZINC
    MTBLC8600 Metabolights
    14799800 PubChem: Thomson Pharma
    5281804 PubChem
    60026584 NMRShiftDB
    SCHEMBL73420 SureChEMBL
    1TG4H5H11J FDA SRS
    LSM-3283 LINCS
    552-59-0 ACToR
    PD047330 ProbesDrugs
    531157 eMolecules
    The data in this table is sourced from UniChem at EBI.