Dataset

Coumarin 106; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80990 contains the MS mass spectrum of Coumarin 106 with the InChIkey LLSRPENMALNOFW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H19NO2/c20-18-13-6-1-5-12(13)15-10-11-4-2-8-19-9-3-7-14(16(11)19)17(15)21-18/h10H,1-9H2
SMILES C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(CCC5)C=C23
InChI Key LLSRPENMALNOFW-UHFFFAOYSA-N
Molecular Formula C18H19NO2
Exact Mass 281.142 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-BML80990
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Author
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MetadataPublished 2016-01-19
Related Molecule
  • 3-oxa-16-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),5(9),11-tetraen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12153732 surechembl
    100336 pubchem
    9RGV583D48 fdasrs
    PD212998 probes_and_drugs
    HIFMOY CCDC
    38263 brenda
    Molport-004-959-683 molport
    The data in this table is sourced from UniChem at EBI.