Dataset

Thidiazuron; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000219 contains the MS2 mass spectrum of Thidiazuron with the InChIkey HFCYZXMHUIHAQI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
SMILES O=C(Nc(c2)cccc2)Nc(c1)snn1
InChI Key HFCYZXMHUIHAQI-UHFFFAOYSA-N
Molecular Formula C9H8N4OS
Exact Mass 220.042 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000219
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-phenyl-3-(thiadiazol-5-yl)urea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    40087 PubChem
    PD017844 ProbesDrugs
    16411638 PubChem: Thomson Pharma
    51707-55-2 ACToR
    0091WH7STF FDA SRS
    510273 eMolecules
    CB3684289 ChemicalBook
    11160 Brenda
    19363 Brenda
    SCHEMBL121077 SureChEMBL
    MCULE-8227703755 Mcule
    C18812 KEGG Ligand
    CHEMBL505661 ChEMBL
    WA1 PDBe
    J11.216J Nikkaji
    50274591 BindingDB
    DTXSID0032651 EPA CompTox Dashboard
    ZINC000000073715 ZINC
    81977 ChEBI
    The data in this table is sourced from UniChem at EBI.