Dataset

Triclocarban; LC-ESI-Q; MS; NEG; 15 V

This MassBank record with Accession MSBNK-Waters-WA002355 contains the MS 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 Clc(c2)ccc(c2)NC(=O)Nc(c1)cc(Cl)c(Cl)c1
InChI Key ICUTUKXCWQYESQ-UHFFFAOYSA-N
Molecular Formula C13H9Cl3N2O
Exact Mass 313.978 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002355
Version
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Maintainer
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MetadataPublished 2016-01-19
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
    PD014559 ProbesDrugs
    14923611 PubChem: Thomson Pharma
    101-20-2 ACToR
    BGG1Y1ED0Y FDA SRS
    478039 eMolecules
    SCHEMBL68658 SureChEMBL
    MCULE-7925567906 Mcule
    7547 PubChem
    CB7193925 ChemicalBook
    triclocarban DailyMed
    9EG PDBe
    40316 Brenda
    DB11155 DrugBank
    151356 Brenda
    48347 ChEBI
    CHEMBL1076347 ChEMBL
    3630 DrugCentral
    ZINC000000121480 ZINC
    J60.108J Nikkaji
    HMDB0240702 Human Metabolome Database
    YEHHUQ CCDC
    DTXSID4026214 EPA CompTox Dashboard
    HY-B1805 MedChemExpress
    TRICLOCARBAN DailyMed
    TRICLOCARBAN rxnorm
    TRICLOCARBAN clinicaltrials
    25730 BindingDB
    The data in this table is sourced from UniChem at EBI.