Dataset

1H-Benzotriazole; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF417702 contains the MS2 mass spectrum of 1H-Benzotriazole with the InChIkey QRUDEWIWKLJBPS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
SMILES N1N=NC2=CC=CC=C12
InChI Key QRUDEWIWKLJBPS-UHFFFAOYSA-N
Molecular Formula C6H5N3
Exact Mass 119.048 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-UF417702
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • 2H-benzotriazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:75331 chebi
    0CT rcsb_pdb
    CHEMBL84963 chembl
    171464 surechembl
    29381270 surechembl
    8956 surechembl
    7220 pubchem
    86110UXM5Y fdasrs
    BZTRAZ CCDC
    136745 brenda
    51473 brenda
    89456 brenda
    HMDB0244873 hmdb
    393793 bindingdb
    50698755 bindingdb
    50710813 bindingdb
    50836547 bindingdb
    Molport-000-151-332 molport
    Molport-044-724-807 molport
    The data in this table is sourced from UniChem at EBI.