Dataset

4-(Methylthio)benzaldehyde; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01110304 contains the MS2 mass spectrum of 4-(Methylthio)benzaldehyde with the InChIkey QRVYABWJVXXOTN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
SMILES CSC1=CC=C(C=O)C=C1
InChI Key QRVYABWJVXXOTN-UHFFFAOYSA-N
Molecular Formula C8H8OS
Exact Mass 152.030 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01110304
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MetadataPublished 2024-06-14
Related Molecule
  • 4-methylsulfanylbenzaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1556223 chembl
    195687 surechembl
    76985 pubchem
    1TVQ11BIY8 fdasrs
    124083 brenda
    183166 brenda
    228251 brenda
    263036 brenda
    72242 brenda
    Molport-000-871-191 molport
    The data in this table is sourced from UniChem at EBI.