Dataset

Triclocarban; LC-ESI-QTOF; MS2; 90 V

This MassBank record with Accession MSBNK-BAFG-CSL2311092192 contains the MS2 mass spectrum of Triclocarban with the InChIkey ICUTUKXCWQYESQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChI Key ICUTUKXCWQYESQ-UHFFFAOYSA-N
Molecular Formula C13H9Cl3N2O
Exact Mass 313.978 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311092192
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
  • 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11155 drugbank
    CHEBI:48347 chebi
    9EG rcsb_pdb
    CHEMBL1076347 chembl
    27313500 surechembl
    68658 surechembl
    7547 pubchem
    9EG pdbe
    PD014559 probes_and_drugs
    YEHHUQ CCDC
    151356 brenda
    40316 brenda
    BGG1Y1ED0Y fdasrs
    HMDB0240702 hmdb
    DTXSID4026214 comptox
    Molport-001-012-487 molport
    3630 drugcentral
    25730 bindingdb
    The data in this table is sourced from UniChem at EBI.