Dataset

Fenson; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01136802 contains the MS2 mass spectrum of Fenson with the InChIkey SPJOZZSIXXJYBT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H
SMILES C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl
InChI Key SPJOZZSIXXJYBT-UHFFFAOYSA-N
Molecular Formula C12H9ClO3S
Exact Mass 267.996 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-EQ01136802
Version
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • (4-chlorophenyl) benzenesulfonate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82160 chebi
    CHEMBL1495617 chembl
    165491 surechembl
    6636 pubchem
    DFC2HB4I0K fdasrs
    HMDB0252223 hmdb
    Molport-002-481-058 molport
    The data in this table is sourced from UniChem at EBI.