Dataset

4-METHYLTHIAZOLE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007787 contains the MS mass spectrum of 4-METHYLTHIAZOLE with the InChIkey QMHIMXFNBOYPND-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
SMILES Cc(n1)csc1
InChI Key QMHIMXFNBOYPND-UHFFFAOYSA-N
Molecular Formula C4H5NS
Exact Mass 99.014 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-JP007787
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4-methyl-1,3-thiazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    486996 eMolecules
    12748 PubChem
    15412720 PubChem: Thomson Pharma
    693-95-8 ACToR
    X8S174990R FDA SRS
    CB1469428 ChemicalBook
    HMDB0033116 Human Metabolome Database
    20200785 NMRShiftDB
    MCULE-3711308900 Mcule
    SCHEMBL27968 SureChEMBL
    ZINC000001675771 ZINC
    DTXSID5027300 EPA CompTox Dashboard
    50016815 BindingDB
    J539H Nikkaji
    KAWMII CCDC
    CHEMBL1566946 ChEMBL
    35626 ChEBI
    The data in this table is sourced from UniChem at EBI.