Dataset

Isovitexin; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PM000411 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 O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
InChI Key MYXNWGACZJSMBT-VJXVFPJBSA-N
Molecular Formula C21H20O10
Exact Mass 432.381 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-RIKEN_ReSpect-PM000411
Version
Author
Maintainer
Language
MetadataPublished 2006-04-20
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
    162350 PubChem
    PD087770 ProbesDrugs
    14905450 PubChem: Thomson Pharma
    29702-25-8 ACToR
    15501741 PubChem: Thomson Pharma
    38953-85-4 ACToR
    1935879 eMolecules
    SCHEMBL513620 SureChEMBL
    KTQ9R9MS0Q FDA SRS
    ZINC000004095704 ZINC
    12571 Brenda
    MTBLC18330 Metabolights
    C01714 KEGG Ligand
    CHEMBL465360 ChEMBL
    18330 ChEBI
    50486938 BindingDB
    LMPK12110338 LipidMaps
    60005880 NMRShiftDB
    J16.502F Nikkaji
    HY-N0773 MedChemExpress
    CB8708575 ChemicalBook
    The data in this table is sourced from UniChem at EBI.