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
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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
    45676 Brenda
    196465 Brenda
    30804 Brenda
    1640 Brenda
    17763 Rhea
    MTBLC17763 Metabolights
    66897 Brenda
    MCULE-7064321412 Mcule
    17763 ChEBI
    SCHEMBL335474 SureChEMBL
    366 PubChem
    PD000820 ProbesDrugs
    15172071 PubChem: Thomson Pharma
    2747-05-9 ACToR
    510662 eMolecules
    C03837 KEGG Ligand
    DTXSID70181895 EPA CompTox Dashboard
    ZINC000000057912 ZINC
    DIJXIH CCDC
    J45.307B Nikkaji
    CB3713093 ChemicalBook
    CHEMBL12019 ChEMBL
    33456 BindingDB
    HMDB0032989 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.