Dataset

Methyl toluene-4-sulfonate; LC-ESI-QFT; MS2; CE: 150%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01110008 contains the MS2 mass spectrum of Methyl toluene-4-sulfonate with the InChIkey VUQUOGPMUUJORT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3
SMILES COS(=O)(=O)C1=CC=C(C)C=C1
InChI Key VUQUOGPMUUJORT-UHFFFAOYSA-N
Molecular Formula C8H10O3S
Exact Mass 186.035 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01110008
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MetadataPublished 2024-06-14
Related Molecule
  • methyl 4-methylbenzenesulfonate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.