Dataset

6-methoxy-2-oxo-2H-chromen-7-yl 2-O-acetyl-6-O-(6-deoxyhexopyranosyl)hexopyranoside; LC-APCI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80558 contains the MS mass spectrum of 6-methoxy-2-oxo-2H-chromen-7-yl 2-O-acetyl-6-O-(6-deoxyhexopyranosyl)hexopyranoside with the InChIkey VJPARTQOILTISJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H30O14/c1-9-17(27)19(29)21(31)23(34-9)33-8-15-18(28)20(30)22(35-10(2)25)24(38-15)37-14-7-12-11(6-13(14)32-3)4-5-16(26)36-12/h4-7,9,15,17-24,27-31H,8H2,1-3H3
SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C4C=CC(=O)OC4=C3)OC)OC(=O)C)O)O)O)O)O
InChI Key VJPARTQOILTISJ-UHFFFAOYSA-N
Molecular Formula C24H30O14
Exact Mass 542.164 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-BML80558
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MetadataPublished 2016-01-19
Related Molecule
  • [4,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5069226 PubChem
    MCULE-7008786985 Mcule
    10117422 eMolecules
    80010757 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.