Dataset

5-Methylbenzotriazole; LC-ESI-QTOF; MS2; CE: 25eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-AN124829 contains the MS2 mass spectrum of 5-Methylbenzotriazole with the InChIkey LRUDIIUSNGCQKF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
SMILES CC1=CC2=NNN=C2C=C1
InChI Key LRUDIIUSNGCQKF-UHFFFAOYSA-N
Molecular Formula C7H7N3
Exact Mass 133.064 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-Antwerp_Univ-AN124829
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MetadataPublished 2021-08-13
Related Molecule
  • 5-methyl-2H-benzotriazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83455 chebi
    CHEMBL2148100 chembl
    103309 surechembl
    1747451 surechembl
    2611832 surechembl
    29367601 surechembl
    29424102 surechembl
    29424103 surechembl
    8705 pubchem
    O9DI72TU6U fdasrs
    DUGCUG CCDC
    Molport-001-783-348 molport
    Molport-008-428-809 molport
    Molport-051-859-968 molport
    The data in this table is sourced from UniChem at EBI.