Dataset

Thiazafluron; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01131358 contains the MS2 mass spectrum of Thiazafluron with the InChIkey BBJPZPLAZVZTGR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H7F3N4OS/c1-10-4(14)13(2)5-12-11-3(15-5)6(7,8)9/h1-2H3,(H,10,14)
SMILES CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F
InChI Key BBJPZPLAZVZTGR-UHFFFAOYSA-N
Molecular Formula C6H7F3N4OS
Exact Mass 240.029 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01131358
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MetadataPublished 2023-04-27
Related Molecule
  • 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82215 chebi
    135149 surechembl
    32921 pubchem
    WX8ID0K28Q fdasrs
    The data in this table is sourced from UniChem at EBI.