Dataset

1-NAPHTHYL ACETATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007380 contains the MS mass spectrum of 1-NAPHTHYL ACETATE with the InChIkey VGKONPUVOVVNSU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H10O2/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3
SMILES CC(=O)Oc(c1)c(c2)c(ccc2)cc1
InChI Key VGKONPUVOVVNSU-UHFFFAOYSA-N
Molecular Formula C12H10O2
Exact Mass 186.068 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-JP007380
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • naphthalen-1-yl acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2286101 chembl
    29372782 surechembl
    76633 surechembl
    13247 pubchem
    PD088413 probes_and_drugs
    PARPEE CCDC
    1254 brenda
    181755 brenda
    182672 brenda
    187495 brenda
    210484 brenda
    21389 brenda
    221819 brenda
    3583 brenda
    43755 brenda
    46934 brenda
    HMDB0243958 hmdb
    Molport-000-563-623 molport
    The data in this table is sourced from UniChem at EBI.