Dataset

Dibenzyldimethyl ammonium; LC-ESI-QTOF; MS2; 70 V

This MassBank record with Accession MSBNK-BAFG-CSL231109592 contains the MS2 mass spectrum of Dibenzyldimethyl ammonium with the InChIkey LNIYNESXCOYFPW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H20N/c1-17(2,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/q+1
SMILES C[N+](C)(Cc1ccccc1)Cc2ccccc2
InChI Key LNIYNESXCOYFPW-UHFFFAOYSA-N
Molecular Formula [C16H20N]+
Exact Mass 226.159 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL231109592
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
  • dibenzyl(dimethyl)azanium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000001555277 ZINC
    J209.387A Nikkaji
    DTXSID60163867 EPA CompTox Dashboard
    GIWPAE CCDC
    101570 PubChem
    14800-26-1 ACToR
    MCULE-9482387366 Mcule
    SCHEMBL374778 SureChEMBL
    20208756 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.