Dataset

Isovitexin; ESI-TOF; MS2; CE:25 eV; [M-H]-

This MassBank record with Accession MSBNK-IPB_Halle-PN000122 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 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-IPB_Halle-PN000122
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MetadataPublished 2011-12-11
Related Molecule
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    • 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
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    SCHEMBL513620 SureChEMBL
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    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.