Dataset

NP-000286(7); LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR307150 contains the MS2 mass spectrum of NP-000286(7) with the InChIkey ODBRNZZJSYPIDI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2
SMILES OCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O
InChI Key ODBRNZZJSYPIDI-UHFFFAOYSA-N
Molecular Formula C21H20O11
Exact Mass 448.380 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-RIKEN-PR307150
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10984978 eMolecules
    SCHEMBL14076164 SureChEMBL
    6426860 PubChem
    PD086908 ProbesDrugs
    60025145 NMRShiftDB
    CHEMBL1302308 ChEMBL
    139455 ChEBI
    60724 BindingDB
    MCULE-3951184105 Mcule
    HMDB0253666 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.