Dataset

Dodecyl sulfate; LC-ESI-QTOF; MS2; 100 V

This MassBank record with Accession MSBNK-BAFG-CSL23111015927 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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111015927
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • dodecyl hydrogen sulfate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB03967 drugbank
    SDS rcsb_pdb
    CHEMBL1204779 chembl
    3271081 surechembl
    3353 surechembl
    57468502 pubchem
    8778 pubchem
    DIQ16UC154 fdasrs
    PD006603 probes_and_drugs
    114740 brenda
    15746 brenda
    44356 brenda
    93301 brenda
    97916 brenda
    Molport-006-111-091 molport
    The data in this table is sourced from UniChem at EBI.