Dataset

Tetrapentylammonium; LC-ESI-QTOF; MS2; 120 V

This MassBank record with Accession MSBNK-BAFG-CSL231109502 contains the MS2 mass spectrum of Tetrapentylammonium with the InChIkey GJSGYPDDPQRWPK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3/q+1
SMILES CCCCC[N+](CCCCC)(CCCCC)CCCCC
InChI Key GJSGYPDDPQRWPK-UHFFFAOYSA-N
Molecular Formula [C20H44N]+
Exact Mass 298.347 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL231109502
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
  • tetrapentylazanium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000003861692 ZINC
    SCHEMBL239120 SureChEMBL
    20209459 NMRShiftDB
    17249 PubChem
    14922843 PubChem: Thomson Pharma
    15959-61-2 ACToR
    CHEMBL2074704 ChEMBL
    35009 ChEBI
    C13815 KEGG Ligand
    J91.256E Nikkaji
    50420181 BindingDB
    ALEXEU CCDC
    9IKH79PSWL FDA SRS
    DTXSID20166692 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.