Dataset

4-METHOXYBENZALDEHYDE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000534 contains the MS mass spectrum of 4-METHOXYBENZALDEHYDE 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-JP000534
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
    P-ANISALDEHYDE rxnorm
    HY-Y0740 MedChemExpress
    50139370 BindingDB
    DTXSID2026997 EPA CompTox Dashboard
    ZINC000000157146 ZINC
    J3.618H Nikkaji
    YADJIY CCDC
    C10761 KEGG Ligand
    CHEMBL161598 ChEMBL
    15321422 PubChem: Thomson Pharma
    31244 PubChem
    PD000895 ProbesDrugs
    SCHEMBL1100 SureChEMBL
    50984-52-6 ACToR
    123-11-5 ACToR
    9PA5V6656V FDA SRS
    477886 eMolecules
    14732 Brenda
    1016 Brenda
    124483 Brenda
    137101 Brenda
    2471 Brenda
    28235 ChEBI
    137028 Brenda
    HMDB0029686 Human Metabolome Database
    MTBLC28235 Metabolights
    CB7491195 ChemicalBook
    8164 Brenda
    4039 Brenda
    55802 Brenda
    MCULE-9537754812 Mcule
    10008947 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.