Dataset

Methyl 4-methoxybenzoate; ESI-QTOF; MS2; CE: 20; [M+H]+

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT002482 contains the MS2 mass spectrum of Methyl 4-methoxybenzoate 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(=O)C1C=CC(=CC=1)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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-EPA-ENTACT_AGILENT002482
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MetadataPublished 2023-09-19
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.