Dataset

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

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002221 contains the MS mass spectrum of PARA-ANISIC ACID METHYL ESTER with the InChIkey DDIZAANNODHTRB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
SMILES COc(c1)ccc(c1)C(=O)OC
InChI Key DDIZAANNODHTRB-UHFFFAOYSA-N
Molecular Formula C9H10O3
Exact Mass 166.063 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-JP002221
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl 4-methoxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:86903 chebi
    CHEMBL1762668 chembl
    231243 surechembl
    8499 pubchem
    2MFL7873W9 fdasrs
    PD158317 probes_and_drugs
    249253 brenda
    HMDB0032639 hmdb
    DTXSID7047645 comptox
    Molport-000-690-489 molport
    50340087 bindingdb
    The data in this table is sourced from UniChem at EBI.