Dataset

2-(Methylthio)benzothiazole; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF419801 contains the MS2 mass spectrum of 2-(Methylthio)benzothiazole with the InChIkey UTBVIMLZIRIFFR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
SMILES CSC1=NC2=CC=CC=C2S1
InChI Key UTBVIMLZIRIFFR-UHFFFAOYSA-N
Molecular Formula C8H7NS2
Exact Mass 181.002 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF419801
Version
Author
Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • 2-methylsulfanyl-1,3-benzothiazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:1217 chebi
    CHEMBL1303065 chembl
    29368613 surechembl
    316415 surechembl
    11989 pubchem
    2748L341KY fdasrs
    MESBSZ CCDC
    94975 brenda
    HMDB0303335 hmdb
    Molport-000-368-862 molport
    The data in this table is sourced from UniChem at EBI.