Dataset

Hexadecyltrimethylammonium; LC-ESI-QTOF; MS2; CE: Ramp 17.2-25.8 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU284306 contains the MS2 mass spectrum of Hexadecyltrimethylammonium with the InChIkey RLGQACBPNDBWTB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1
SMILES CCCCCCCCCCCCCCCC[N+](C)(C)C
InChI Key RLGQACBPNDBWTB-UHFFFAOYSA-N
Molecular Formula [C19H42N]+
Exact Mass 284.332 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-AU284306
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MetadataPublished 2019-05-31
Related Molecule
  • hexadecyl(trimethyl)azanium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01718 drugbank
    CHEBI:39561 chebi
    16A rcsb_pdb
    CHEMBL1183605 chembl
    48763 surechembl
    2681 pubchem
    PD008476 probes_and_drugs
    CEMEBR CCDC
    169661 brenda
    Z7FF1XKL7A fdasrs
    3082 drugcentral
    58941 bindingdb
    The data in this table is sourced from UniChem at EBI.