Dataset

Chlormequat; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL23111014511 contains the MS2 mass spectrum of Chlormequat with the InChIkey JUZXDNPBRPUIOR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1
SMILES C[N+](C)(CCCl)C
InChI Key JUZXDNPBRPUIOR-UHFFFAOYSA-N
Molecular Formula [C5H13ClN]+
Exact Mass 122.073 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111014511
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 2-chloroethyl(trimethyl)azanium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81850 chebi
    CHEMBL341956 chembl
    22644 surechembl
    13837 pubchem
    8SUZ1123XX fdasrs
    PD196153 probes_and_drugs
    GAVSAB CCDC
    118517 brenda
    20184 brenda
    50055170 bindingdb
    The data in this table is sourced from UniChem at EBI.