Dataset

Ethyl-hexadecyl-dimethylammonium; LC-ESI-QTOF; MS2; 80 V

This MassBank record with Accession MSBNK-BAFG-CSL231109624 contains the MS2 mass spectrum of Ethyl-hexadecyl-dimethylammonium with the InChIkey VCAVAURZPNANDQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H44N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2/h5-20H2,1-4H3/q+1
SMILES CCCCCCCCCCCCCCCC[N+](C)(C)CC
InChI Key VCAVAURZPNANDQ-UHFFFAOYSA-N
Molecular Formula [C20H44N]+
Exact Mass 298.347 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL231109624
Version
Author
Maintainer
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MetadataPublished 2023-11-09
Related Molecule
  • ethyl-hexadecyl-dimethylazanium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    31281 PubChem
    PD014230 ProbesDrugs
    17T62WR2KI FDA SRS
    10328-33-3 ACToR
    16560505 PubChem: Thomson Pharma
    7331645 eMolecules
    ZINC000008214605 ZINC
    20200953 NMRShiftDB
    SCHEMBL41715 SureChEMBL
    CHEMBL1550879 ChEMBL
    KAYQEH CCDC
    DTXSID2047729 EPA CompTox Dashboard
    MCULE-4863974742 Mcule
    J215.768C Nikkaji
    58926 BindingDB
    The data in this table is sourced from UniChem at EBI.