Dataset

Dicyclohexyl sulfosuccinate; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU249705 contains the MS2 mass spectrum of Dicyclohexyl sulfosuccinate with the InChIkey QPSVFNQMURAADJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H26O7S/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13/h12-14H,1-11H2,(H,19,20,21)
SMILES OS(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1
InChI Key QPSVFNQMURAADJ-UHFFFAOYSA-N
Molecular Formula C16H26O7S
Exact Mass 362.140 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU249705
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MetadataPublished 2019-04-08
Related Molecule
  • 1,4-dicyclohexyloxy-1,4-dioxobutane-2-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    90918 PubChem
    CHEMBL3305948 ChEMBL
    J938.313A Nikkaji
    DTXSID3047213 EPA CompTox Dashboard
    SCHEMBL66513 SureChEMBL
    137361-04-7 ACToR
    The data in this table is sourced from UniChem at EBI.