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
    MCULE-2848618742 Mcule
    75331 ChEBI
    30096608 NMRShiftDB
    SCHEMBL8956 SureChEMBL
    CB4467102 ChemicalBook
    51473 Brenda
    89456 Brenda
    136745 Brenda
    16361286 PubChem: Thomson Pharma
    7220 PubChem
    27556-51-0 ACToR
    273-02-9 ACToR
    115773-98-3 ACToR
    86110UXM5Y FDA SRS
    0CT PDBe
    480215 eMolecules
    CHEMBL84963 ChEMBL
    DTXSID6020147 EPA CompTox Dashboard
    ZINC000000332008 ZINC
    BENZOTRIAZOLE rxnorm
    J4.709K Nikkaji
    BZTRAZ CCDC
    HMDB0244873 Human Metabolome Database
    J259.309B Nikkaji
    36293 BindingDB
    50234613 BindingDB
    15218870 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.