Dataset

Isovitexin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00749 contains the MS2 mass spectrum of Isovitexin with the InChIkey MYXNWGACZJSMBT-VJXVFPJBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1
SMILES OC[C@H]([C@@H](O)4)O[C@H]([C@H](O)[C@@H](O)4)c(c(O)1)c(O)c(C(=O)3)c(OC(=C3)c(c2)ccc(O)c2)c1
InChI Key MYXNWGACZJSMBT-VJXVFPJBSA-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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00749
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-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
    CHEBI:18330 chebi
    LMPK12110338 lipidmaps
    CHEMBL465360 chembl
    29403598 surechembl
    513620 surechembl
    162350 pubchem
    KTQ9R9MS0Q fdasrs
    PD087770 probes_and_drugs
    12571 brenda
    190418 brenda
    276633 brenda
    Molport-020-005-945 molport
    50486938 bindingdb
    The data in this table is sourced from UniChem at EBI.