Dataset

5-Chlorobenzotriazole; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU230803 contains the MS2 mass spectrum of 5-Chlorobenzotriazole with the InChIkey PZBQVZFITSVHAW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H4ClN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
SMILES ClC1=CC2=NNN=C2C=C1
InChI Key PZBQVZFITSVHAW-UHFFFAOYSA-N
Molecular Formula C6H4ClN3
Exact Mass 153.009 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-AU230803
Version
Author
Maintainer
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MetadataPublished 2019-04-08
Related Molecule
  • 5-chloro-2H-benzotriazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3187395 chembl
    2005551 surechembl
    203784 surechembl
    29418343 surechembl
    5705154 surechembl
    66760 pubchem
    8C7O46G78K fdasrs
    Molport-001-790-899 molport
    Molport-008-428-810 molport
    Molport-047-920-610 molport
    50498200 bindingdb
    The data in this table is sourced from UniChem at EBI.