Dataset

1-Methylbenzotriazole; LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU224009 contains the MS2 mass spectrum of 1-Methylbenzotriazole with the InChIkey HXQHRUJXQJEGER-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3
SMILES Cn1c2ccccc2nn1
InChI Key HXQHRUJXQJEGER-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-Athens_Univ-AU224009
Version
Author
Maintainer
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MetadataPublished 2016-02-26
Related Molecule
  • 1-methylbenzotriazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-5663090989 Mcule
    10016268 NMRShiftDB
    25902 PubChem
    16080828 PubChem: Thomson Pharma
    617050 eMolecules
    SCHEMBL170155 SureChEMBL
    13351-73-0 ACToR
    197463-09-5 ACToR
    50234617 BindingDB
    CB0222437 ChemicalBook
    COFHAK CCDC
    J41.933H Nikkaji
    ZINC000000405132 ZINC
    CHEMBL3086212 ChEMBL
    DTXSID40158150 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.