Dataset

Diosmin; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01101854 contains the MS2 mass spectrum of Diosmin 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 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
InChI Key GZSOSUNBTXMUFQ-UHFFFAOYSA-N
Molecular Formula C28H32O15
Exact Mass 608.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01101854
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MetadataPublished 2024-06-14
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
    HMDB0029548 Human Metabolome Database
    MCULE-3131534165 Mcule
    537251 eMolecules
    60026071 NMRShiftDB
    PD055518 ProbesDrugs
    SCHEMBL14178901 SureChEMBL
    5353588 PubChem
    176381 ChEBI
    CHEMBL1707291 ChEMBL
    The data in this table is sourced from UniChem at EBI.