Dataset

6-Methylcoumarin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00180 contains the MS2 mass spectrum of 6-Methylcoumarin with the InChIkey FXFYOPQLGGEACP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
SMILES Cc(c2)cc(C=1)c(c2)OC(=O)C1
InChI Key FXFYOPQLGGEACP-UHFFFAOYSA-N
Molecular Formula C10H8O2
Exact Mass 160.052 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00180
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 6-methylchromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:563586 chebi
    3AV rcsb_pdb
    CHEMBL443436 chembl
    194842 surechembl
    29412607 surechembl
    7092 pubchem
    EHP8W0L01A fdasrs
    PD087827 probes_and_drugs
    EGOSEA CCDC
    177840 brenda
    HMDB0032394 hmdb
    Molport-001-766-678 molport
    The data in this table is sourced from UniChem at EBI.