Dataset

PARA-ACETOXYBENZOIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011786 contains the MS mass spectrum of PARA-ACETOXYBENZOIC ACID METHYL ESTER with the InChIkey PGJQPLVEUVHSFQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H10O4/c1-7(11)14-9-5-3-8(4-6-9)10(12)13-2/h3-6H,1-2H3
SMILES COC(=O)c(c1)ccc(OC(C)=O)c1
InChI Key PGJQPLVEUVHSFQ-UHFFFAOYSA-N
Molecular Formula C10H10O4
Exact Mass 194.058 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-JP011786
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl 4-acetyloxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:86900 chebi
    4647885 surechembl
    578495 pubchem
    BIYTAH CCDC
    150323 brenda
    17928 brenda
    DTXSID70342085 comptox
    Molport-003-930-968 molport
    The data in this table is sourced from UniChem at EBI.