Dataset

2-Morpholinothiobenzothiazole; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU287805 contains the MS2 mass spectrum of 2-Morpholinothiobenzothiazole with the InChIkey MHKLKWCYGIBEQF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2
SMILES C1CN(CCO1)SC1=NC2=CC=CC=C2S1
InChI Key MHKLKWCYGIBEQF-UHFFFAOYSA-N
Molecular Formula C11H12N2OS2
Exact Mass 252.039 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-Athens_Univ-AU287805
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Maintainer
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MetadataPublished 2019-05-31
Related Molecule
  • 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB14202 drugbank
    CHEMBL1530581 chembl
    29404281 surechembl
    79658 surechembl
    7619 pubchem
    VCD7623F3K fdasrs
    PD014728 probes_and_drugs
    DTXSID0021096 comptox
    Molport-001-793-917 molport
    The data in this table is sourced from UniChem at EBI.