Dataset

N-Benzyldimethylstearyl ammonium; LC-ESI-QTOF; MS2; 20 V

This MassBank record with Accession MSBNK-BAFG-CSL231109695 contains the MS2 mass spectrum of N-Benzyldimethylstearyl ammonium with the InChIkey FWLORMQUOWCQPO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C27H50N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27/h19-21,23-24H,4-18,22,25-26H2,1-3H3/q+1
SMILES CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
InChI Key FWLORMQUOWCQPO-UHFFFAOYSA-N
Molecular Formula [C27H50N]+
Exact Mass 388.394 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL231109695
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Maintainer
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MetadataPublished 2023-11-09
Related Molecule
  • benzyl-dimethyl-octadecylazanium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000038158624 ZINC
    SCHEMBL234725 SureChEMBL
    31205 PubChem
    14878449 PubChem: Thomson Pharma
    PD124050 ProbesDrugs
    CHEMBL1180251 ChEMBL
    UMO7T7E1XN FDA SRS
    DTXSID7047013 EPA CompTox Dashboard
    J231.895D Nikkaji
    37612-69-4 ACToR
    The data in this table is sourced from UniChem at EBI.