Dataset

Glycitein; ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V

This MassBank record with Accession MSBNK-MSSJ-MSJ02025 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 COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MSSJ-MSJ02025
Version
Author
Maintainer
Language
MetadataPublished 2021-10-17
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
    CHEBI:34778 chebi
    LMPK12050104 lipidmaps
    CHEMBL513024 chembl
    19720 surechembl
    29497281 surechembl
    5317750 pubchem
    92M5F28TVF fdasrs
    PD015502 probes_and_drugs
    13662 brenda
    164082 brenda
    234048 brenda
    HMDB0005781 hmdb
    Molport-003-889-283 molport
    50241530 bindingdb
    The data in this table is sourced from UniChem at EBI.