Dataset

9-methoxy-2,2-dimethyl-6-hydro-2H-pyrano[5,6-c]quinolin-5-one; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00022 contains the MS2 mass spectrum of 9-methoxy-2,2-dimethyl-6-hydro-2H-pyrano[5,6-c]quinolin-5-one with the InChIkey IXRKDGGGFFCRIR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H15NO3/c1-15(2)7-6-10-13(19-15)11-8-9(18-3)4-5-12(11)16-14(10)17/h4-8H,1-3H3,(H,16,17)
SMILES CC1(C=CC2=C(O1)C3=C(C=CC(=C3)OC)NC2=O)C
InChI Key IXRKDGGGFFCRIR-UHFFFAOYSA-N
Molecular Formula C15H15NO3
Exact Mass 257.105 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-BML00022
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    36843 BindingDB
    J759.750I Nikkaji
    ZINC000008578613 ZINC
    CHEMBL1488010 ChEMBL
    MCULE-6328328118 Mcule
    1180162 eMolecules
    60019992 NMRShiftDB
    SCHEMBL257952 SureChEMBL
    56408619 PubChem: Thomson Pharma
    182487 ChEBI
    648601 PubChem
    The data in this table is sourced from UniChem at EBI.