Dataset

Tricyclazole; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01131903 contains the MS2 mass spectrum of Tricyclazole with the InChIkey DQJCHOQLCLEDLL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3
SMILES CC1=C2C(=CC=C1)SC3=NN=CN23
InChI Key DQJCHOQLCLEDLL-UHFFFAOYSA-N
Molecular Formula C9H7N3S
Exact Mass 189.036 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01131903
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • 8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02891 drugbank
    CHEBI:81783 chebi
    CHEMBL357021 chembl
    23082 surechembl
    29446197 surechembl
    39040 pubchem
    R7U3MEU7VR fdasrs
    PD016281 probes_and_drugs
    12714 brenda
    151099 brenda
    97445 brenda
    HMDB0031809 hmdb
    50182418 bindingdb
    The data in this table is sourced from UniChem at EBI.