Dataset

Dimethyldioctylammonium; LC-ESI-QTOF; MS2; 120 V

This MassBank record with Accession MSBNK-BAFG-CSL23111015492 contains the MS2 mass spectrum of Dimethyldioctylammonium with the InChIkey MELGLHXCBHKVJG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H40N/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3/q+1
SMILES CCCCCCCC[N+](C)(C)CCCCCCCC
InChI Key MELGLHXCBHKVJG-UHFFFAOYSA-N
Molecular Formula [C18H40N]+
Exact Mass 270.315 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111015492
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MetadataPublished 2023-11-10
Related Molecule
  • dimethyl(dioctyl)azanium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000038141918 ZINC
    62582 PubChem
    DTXSID60174099 EPA CompTox Dashboard
    SCHEMBL345597 SureChEMBL
    DIOCTYLDIMONIUM rxnorm
    J106.531I Nikkaji
    DB13970 DrugBank
    CHEMBL2366023 ChEMBL
    163550091 PubChem: Thomson Pharma
    PD077450 ProbesDrugs
    3535D7RPGW FDA SRS
    The data in this table is sourced from UniChem at EBI.