Dataset

6-Methylcoumarin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00181 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-FIO00181
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
    CB8691534 ChemicalBook
    HMDB0032394 Human Metabolome Database
    7092 PubChem
    PD087827 ProbesDrugs
    EHP8W0L01A FDA SRS
    1333-47-7 ACToR
    15219366 PubChem: Thomson Pharma
    98276-91-6 ACToR
    563586 ChEBI
    SCHEMBL194842 SureChEMBL
    92-48-8 ACToR
    591857 eMolecules
    HY-N1406 MedChemExpress
    3AV PDBe
    MCULE-7058949897 Mcule
    EGOSEA CCDC
    ZINC000000057740 ZINC
    J3.219K Nikkaji
    DTXSID9025588 EPA CompTox Dashboard
    CHEMBL443436 ChEMBL
    The data in this table is sourced from UniChem at EBI.