Dataset

2-(4-Morpholinyl)benzothiazole; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU287704 contains the MS2 mass spectrum of 2-(4-Morpholinyl)benzothiazole with the InChIkey VVUVJGRVEYHIHC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12N2OS/c1-2-4-10-9(3-1)12-11(15-10)13-5-7-14-8-6-13/h1-4H,5-8H2
SMILES C1CN(CCO1)C1=NC2=CC=CC=C2S1
InChI Key VVUVJGRVEYHIHC-UHFFFAOYSA-N
Molecular Formula C11H12N2OS
Exact Mass 220.067 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-AU287704
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MetadataPublished 2019-05-31
Related Molecule
  • 4-(1,3-benzothiazol-2-yl)morpholine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-3662286398 Mcule
    DTXSID90891505 EPA CompTox Dashboard
    181575 ChEBI
    77901 PubChem
    26524911 PubChem: Thomson Pharma
    SCHEMBL809829 SureChEMBL
    45592-46-9 ACToR
    620191 eMolecules
    J102.752B Nikkaji
    ZINC000000127975 ZINC
    CHEMBL1344501 ChEMBL
    The data in this table is sourced from UniChem at EBI.