Dataset

7-ACETOXY-4-METHYLCOUMARIN; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001136 contains the MS mass spectrum of 7-ACETOXY-4-METHYLCOUMARIN with the InChIkey HXVZGASCDAGAPS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
SMILES CC(=O)Oc(c2)cc(O1)c(c2)C(C)=CC(=O)1
InChI Key HXVZGASCDAGAPS-UHFFFAOYSA-N
Molecular Formula C12H10O4
Exact Mass 218.058 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP001136
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (4-methyl-2-oxochromen-7-yl) acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL12019 chembl
    29651337 surechembl
    335474 surechembl
    366 pubchem
    CHEBI:17763 rhea
    PD000820 probes_and_drugs
    DIJXIH CCDC
    1640 brenda
    196465 brenda
    30804 brenda
    45676 brenda
    66897 brenda
    ZD294D576M fdasrs
    HMDB0032989 hmdb
    Molport-000-480-282 molport
    33456 bindingdb
    The data in this table is sourced from UniChem at EBI.