Dataset

Dodecyl sulfate; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR308958 contains the MS2 mass spectrum of Dodecyl sulfate with the InChIkey MOTZDAYCYVMXPC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
SMILES CCCCCCCCCCCCOS(=O)(=O)O
InChI Key MOTZDAYCYVMXPC-UHFFFAOYSA-N
Molecular Formula C12H26O4S
Exact Mass 266.155 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-RIKEN-PR308958
Version
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • dodecyl hydrogen sulfate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID0042088 EPA CompTox Dashboard
    DODECYL SULFATE rxnorm
    ZINC000001532179 ZINC
    J90.686G Nikkaji
    SDS PDBe
    CHEMBL1204779 ChEMBL
    DB03967 DrugBank
    60023313 NMRShiftDB
    PD006603 ProbesDrugs
    14823936 PubChem: Thomson Pharma
    22397-58-6 ACToR
    151-41-7 ACToR
    500579-61-3 ACToR
    DIQ16UC154 FDA SRS
    6185570 eMolecules
    8778 PubChem
    45599 ChEBI
    SCHEMBL3353 SureChEMBL
    44356 Brenda
    15746 Brenda
    93301 Brenda
    114740 Brenda
    97916 Brenda
    The data in this table is sourced from UniChem at EBI.