Dataset

Sophoricoside; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01289 contains the MS2 mass spectrum of Sophoricoside with the InChIkey ISQRJFLLIDGZEP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2
SMILES C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)OC4C(C(C(C(O4)CO)O)O)O
InChI Key ISQRJFLLIDGZEP-UHFFFAOYSA-N
Molecular Formula C21H20O10
Exact Mass 432.106 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-Washington_State_Univ-BML01289
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MetadataPublished 2016-01-19
Related Molecule
  • 5,7-dihydroxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-3711623788 Mcule
    6078194 PubChem
    PD056726 ProbesDrugs
    60075536 NMRShiftDB
    HMDB0252680 Human Metabolome Database
    3363737 eMolecules
    The data in this table is sourced from UniChem at EBI.