Dataset

Luteolin-3',7-di-O-glucoside; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+

This MassBank record with Accession MSBNK-RIKEN-PR100357 contains the MS2 mass spectrum of Luteolin-3',7-di-O-glucoside with the InChIkey BISZYPSIZGKOFA-IPOZFMEPSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
SMILES C1=CC(=C(C=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[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI Key BISZYPSIZGKOFA-IPOZFMEPSA-N
Molecular Formula C27H30O16
Exact Mass 610.153 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-RIKEN-PR100357
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MetadataPublished 2016-01-19
Related Molecule
  • 5-hydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:167535 chebi
    LMPK12110665 lipidmaps
    CHEMBL1744031 chembl
    30743071 surechembl
    30743072 surechembl
    5490298 pubchem
    123834 brenda
    138082 brenda
    Molport-006-129-695 molport
    The data in this table is sourced from UniChem at EBI.