Dataset

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

This MassBank record with Accession MSBNK-BS-BS003691 contains the MS2 mass spectrum of Glycitein with the InChIkey DXYUAIFZCFRPTH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
SMILES C(OC1=C(C(=C2C(=C1[H])C(=O)C(=C(O2)[H])C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key DXYUAIFZCFRPTH-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-BS003691
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000005999205 ZINC
    LSM-45527 LINCS
    MTBLC34778 Metabolights
    13662 Brenda
    164082 Brenda
    HMDB0005781 Human Metabolome Database
    CB7253674 ChemicalBook
    SCHEMBL19720 SureChEMBL
    5317750 PubChem
    60030482 NMRShiftDB
    PD015502 ProbesDrugs
    14873132 PubChem: Thomson Pharma
    34778 ChEBI
    40957-83-3 ACToR
    92M5F28TVF FDA SRS
    2735801 eMolecules
    CHEMBL513024 ChEMBL
    HY-N0016 MedChemExpress
    234048 Brenda
    50241530 BindingDB
    LMPK12050104 LipidMaps
    J17.583H Nikkaji
    DTXSID40193960 EPA CompTox Dashboard
    C14536 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.