Dataset

5-Methyl-1H-benzotriazole; LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU405107 contains the MS2 mass spectrum of 5-Methyl-1H-benzotriazole 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 c12c(cc(C)cc2)nn[nH]1
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-Athens_Univ-AU405107
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Maintainer
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MetadataPublished 2016-02-26
Related Molecule
  • 5-methyl-2H-benzotriazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    O9DI72TU6U FDA SRS
    83455 ChEBI
    DTXSID1038743 EPA CompTox Dashboard
    DUGCUG CCDC
    J6.123I Nikkaji
    MCULE-5513675173 Mcule
    ZINC000000406978 ZINC
    CB1102752 ChemicalBook
    SCHEMBL103309 SureChEMBL
    14916056 PubChem: Thomson Pharma
    CHEMBL2148100 ChEMBL
    8705 PubChem
    15119966 PubChem: Thomson Pharma
    487463 eMolecules
    The data in this table is sourced from UniChem at EBI.