Dataset

Clofentezine; LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00304406 contains the MS2 mass spectrum of Clofentezine with the InChIkey UXADOQPNKNTIHB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
SMILES C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)Cl
InChI Key UXADOQPNKNTIHB-UHFFFAOYSA-N
Molecular Formula C14H8Cl2N4
Exact Mass 302.013 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-EQ00304406
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MetadataPublished 2024-06-14
Related Molecule
  • 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:39315 chebi
    CHEMBL17888 chembl
    29375770 surechembl
    30917908 surechembl
    74002 surechembl
    73670 pubchem
    JS4U0R0033 fdasrs
    PD011973 probes_and_drugs
    BOQDES CCDC
    212878 brenda
    HMDB0250340 hmdb
    Molport-003-931-087 molport
    The data in this table is sourced from UniChem at EBI.