Dataset

Trimethyloctylammonium; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU284701 contains the MS2 mass spectrum of Trimethyloctylammonium with the InChIkey HTKPDYSCAPSXIR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H26N/c1-5-6-7-8-9-10-11-12(2,3)4/h5-11H2,1-4H3/q+1
SMILES CCCCCCCC[N+](C)(C)C
InChI Key HTKPDYSCAPSXIR-UHFFFAOYSA-N
Molecular Formula [C11H26N]+
Exact Mass 172.207 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-AU284701
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MetadataPublished 2019-05-31
Related Molecule
  • trimethyl(octyl)azanium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL240380 SureChEMBL
    24950 PubChem
    16532902 PubChem: Thomson Pharma
    15461-38-8 ACToR
    CHEMBL1180979 ChEMBL
    J106.530K Nikkaji
    MCULE-8271976836 Mcule
    DTXSID10165674 EPA CompTox Dashboard
    ASAJEJ CCDC
    ZINC000001627267 ZINC
    55321 ChEBI
    The data in this table is sourced from UniChem at EBI.