Dataset

Chlormequat; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M]+

This MassBank record with Accession MSBNK-UFZ-UF413118 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)(C)CCCl
InChI Key JUZXDNPBRPUIOR-UHFFFAOYSA-N
Molecular Formula [C5H13ClN]+
Exact Mass 122.074 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-UFZ-UF413118
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Maintainer
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MetadataPublished 2017-01-05
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
    50779109 bindingdb
    50995311 bindingdb
    The data in this table is sourced from UniChem at EBI.