Dataset

Benzyl-dimethyl-hexadecylammonium; LC-ESI-QTOF; MS2; 130 V

This MassBank record with Accession MSBNK-BAFG-CSL231109676 contains the MS2 mass spectrum of Benzyl-dimethyl-hexadecylammonium with the InChIkey QDYLMAYUEZBUFO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H46N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25/h17-19,21-22H,4-16,20,23-24H2,1-3H3/q+1
SMILES CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
InChI Key QDYLMAYUEZBUFO-UHFFFAOYSA-N
Molecular Formula [C25H46N]+
Exact Mass 360.363 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL231109676
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Author
Maintainer
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MetadataPublished 2023-11-09
Related Molecule
  • benzyl-hexadecyl-dimethylazanium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    FIFBEF CCDC
    J238.579A Nikkaji
    135523 ChEBI
    3078 DrugCentral
    DTXSID3047007 EPA CompTox Dashboard
    MCULE-6808128344 Mcule
    CETALKONIUM CHLORIDE rxnorm
    CHEMBL1624075 ChEMBL
    31203 PubChem
    PD013902 ProbesDrugs
    14852511 PubChem: Thomson Pharma
    10328-34-4 ACToR
    FHG725432Z FDA SRS
    DB11583 DrugBank
    ZINC000014233334 ZINC
    SCHEMBL233796 SureChEMBL
    The data in this table is sourced from UniChem at EBI.