Dataset

2-ISOBUTYL-4,5-DIMETHYLTHIAZOLE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007801 contains the MS mass spectrum of 2-ISOBUTYL-4,5-DIMETHYLTHIAZOLE with the InChIkey NSVPHVLZAKJSGV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H15NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3
SMILES CC(C)Cc(n1)sc(C)c(C)1
InChI Key NSVPHVLZAKJSGV-UHFFFAOYSA-N
Molecular Formula C9H15NS
Exact Mass 169.093 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-JP007801
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4,5-dimethyl-2-(2-methylpropyl)-1,3-thiazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000002510294 ZINC
    104513 PubChem
    53498-32-1 ACToR
    5P82VD25ZI FDA SRS
    SCHEMBL3505082 SureChEMBL
    713920 eMolecules
    DTXSID6068858 EPA CompTox Dashboard
    J47.703F Nikkaji
    CB0243278 ChemicalBook
    The data in this table is sourced from UniChem at EBI.