Dataset

Hexadecyltrimethylammonium; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU284305 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-AU284305
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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
    39561 ChEBI
    CHEMBL1183605 ChEMBL
    16A PDBe
    CEMEBR CCDC
    J8.861G Nikkaji
    3082 DrugCentral
    DTXSID3047978 EPA CompTox Dashboard
    MCULE-4305670420 Mcule
    CETRIMONIUM clinicaltrials
    CETRIMONIUM BROMIDE clinicaltrials
    CETRIMONIUM BROMIDE rxnorm
    CETRIMONIUM rxnorm
    CETRIMONIUM DailyMed
    58941 BindingDB
    DB01718 DrugBank
    2681 PubChem
    PD008476 ProbesDrugs
    14751059 PubChem: Thomson Pharma
    6899-10-1 ACToR
    Z7FF1XKL7A FDA SRS
    1986109 eMolecules
    169661 Brenda
    ZINC000006846023 ZINC
    SCHEMBL48763 SureChEMBL
    20097206 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.