Dataset

Diosmetin-7-O-rutinoside; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR306260 contains the MS2 mass spectrum of Diosmetin-7-O-rutinoside with the InChIkey GZSOSUNBTXMUFQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3
SMILES COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1
InChI Key GZSOSUNBTXMUFQ-UHFFFAOYSA-N
Molecular Formula C28H32O15
Exact Mass 608.549 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-PR306260
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MetadataPublished 2019-03-28
Related Molecule
  • 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:176381 chebi
    CHEMBL1707291 chembl
    14178901 surechembl
    5353588 pubchem
    PD055518 probes_and_drugs
    HMDB0029548 hmdb
    DTXSID10859445 comptox
    Molport-003-895-992 molport
    The data in this table is sourced from UniChem at EBI.