Dataset

Lauryl sulfate; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU240759 contains the MS2 mass spectrum of Lauryl 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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU240759
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Maintainer
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MetadataPublished 2019-03-29
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.