Dataset

2-PHENY1PYRROLO(2,1-B)BENZOTHIAZOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001421 contains the MS mass spectrum of 2-PHENY1PYRROLO(2,1-B)BENZOTHIAZOL with the InChIkey XMWBLLRPZGAGCI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H11NS/c1-2-6-12(7-3-1)13-10-16-17(11-13)14-8-4-5-9-15(14)18-16/h1-11H
SMILES c(c4)ccc(c4)c(c1)cn(c32)c1Sc(cccc3)2
InChI Key XMWBLLRPZGAGCI-UHFFFAOYSA-N
Molecular Formula C16H11NS
Exact Mass 249.061 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP001421
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-phenylpyrrolo[2,1-b][1,3]benzothiazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL11417745 SureChEMBL
    22057858 eMolecules
    ZINC000000386979 ZINC
    J46.398A Nikkaji
    852065 PubChem
    MCULE-4765809921 Mcule
    The data in this table is sourced from UniChem at EBI.