Dataset

PARA-ANISALDEHYDE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001825 contains the MS mass spectrum of PARA-ANISALDEHYDE with the InChIkey ZRSNZINYAWTAHE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
SMILES O=Cc(c1)ccc(OC)c1
InChI Key ZRSNZINYAWTAHE-UHFFFAOYSA-N
Molecular Formula C8H8O2
Exact Mass 136.052 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-JP001825
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4-methoxybenzaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28235 chebi
    CHEMBL161598 chembl
    1100 surechembl
    31244 pubchem
    9PA5V6656V fdasrs
    PD000895 probes_and_drugs
    YADJIY CCDC
    1016 brenda
    124483 brenda
    137028 brenda
    137101 brenda
    14732 brenda
    2471 brenda
    4039 brenda
    55802 brenda
    8164 brenda
    HMDB0029686 hmdb
    Molport-000-871-198 molport
    50139370 bindingdb
    The data in this table is sourced from UniChem at EBI.