Dataset

Clomethiazole; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA000426 contains the MS mass spectrum of Clomethiazole with the InChIkey PCLITLDOTJTVDJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3
SMILES ClCCc(s1)c(C)nc1
InChI Key PCLITLDOTJTVDJ-UHFFFAOYSA-N
Molecular Formula C6H8ClNS
Exact Mass 161.007 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-WA000426
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5-(2-chloroethyl)-4-methyl-1,3-thiazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL315795 ChEMBL
    J6.328B Nikkaji
    HMDB0250350 Human Metabolome Database
    CHLORMETHIAZOLE rxnorm
    CLOMETHIAZOLE clinicaltrials
    HY-129105 MedChemExpress
    92875 ChEBI
    DTXSID6022842 EPA CompTox Dashboard
    602 DrugCentral
    ZINC000000001192 ZINC
    112700 Brenda
    DB06470 DrugBank
    234400 BindingDB
    MCULE-7226587757 Mcule
    PD013687 ProbesDrugs
    0C5DBZ19HV FDA SRS
    LSM-3110 LINCS
    533-45-9 ACToR
    SCHEMBL35223 SureChEMBL
    15147015 PubChem: Thomson Pharma
    10783 PubChem
    1934255 eMolecules
    The data in this table is sourced from UniChem at EBI.