Dataset

1H-Benzotriazole; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU241458 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-Athens_Univ-AU241458
Version
Author
Maintainer
Language
MetadataPublished 2019-03-29
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
    Molport-000-151-332 molport
    Molport-044-724-807 molport
    36293 bindingdb
    50234613 bindingdb
    The data in this table is sourced from UniChem at EBI.