Dataset

Robinetin trimethyl ether; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01839 contains the MS2 mass spectrum of Robinetin trimethyl ether with the InChIkey NJNGYVOYOVPWBB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H16O7/c1-22-13-6-9(7-14(23-2)18(13)24-3)17-16(21)15(20)11-5-4-10(19)8-12(11)25-17/h4-8,19,21H,1-3H3
SMILES COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O
InChI Key NJNGYVOYOVPWBB-UHFFFAOYSA-N
Molecular Formula C18H16O7
Exact Mass 344.090 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-BML01839
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14925059 PubChem: Thomson Pharma
    SCHEMBL4649883 SureChEMBL
    6250403 PubChem
    181467 ChEBI
    890523 eMolecules
    CB0314684 ChemicalBook
    CHEMBL1801020 ChEMBL
    ZINC000002146994 ZINC
    The data in this table is sourced from UniChem at EBI.