Dataset

Galangin; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003696 contains the MS2 mass spectrum of Galangin with the InChIkey VCCRNZQBSJXYJD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
SMILES C1(=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])O[H])[H])[H])[H]
InChI Key VCCRNZQBSJXYJD-UHFFFAOYSA-N
Molecular Formula C15H10O5
Exact Mass 270.053 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-BS003696
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Maintainer
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MetadataPublished 2017-12-01
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    C10044 KEGG Ligand
    410 Guide to Pharmacology
    CHEMBL309490 ChEMBL
    HY-N0382 MedChemExpress
    MCULE-8693579543 Mcule
    DTXSID70203288 EPA CompTox Dashboard
    LMPK12111653 LipidMaps
    50049391 BindingDB
    J1.607A Nikkaji
    HERYOW CCDC
    ZINC000000120273 ZINC
    60015864 NMRShiftDB
    PD001197 ProbesDrugs
    KMC PDBe
    14799261 PubChem: Thomson Pharma
    548-83-4 ACToR
    142FWE6ECS FDA SRS
    494438 eMolecules
    CB8413460 ChemicalBook
    MTBLC5262 Metabolights
    125031 Brenda
    2110 Brenda
    HMDB0029521 Human Metabolome Database
    156716 Brenda
    5281616 PubChem
    SCHEMBL117225 SureChEMBL
    The data in this table is sourced from UniChem at EBI.