Dataset

Allylthiourea; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01061305 contains the MS2 mass spectrum of Allylthiourea with the InChIkey HTKFORQRBXIQHD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
SMILES C=CCNC(=S)N
InChI Key HTKFORQRBXIQHD-UHFFFAOYSA-N
Molecular Formula C4H8N2S
Exact Mass 116.041 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-EQ01061305
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Maintainer
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MetadataPublished 2024-06-14
Related Molecule
  • N'-prop-2-enylcarbamimidothioic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:74079 chebi
    CHEMBL1451910 chembl
    1194236 surechembl
    29372 surechembl
    662350 surechembl
    1549517 pubchem
    706IDJ14B7 fdasrs
    DB20162 drugbank
    PD000187 probes_and_drugs
    ALYTUR CCDC
    20110 brenda
    74522 brenda
    Molport-001-495-598 molport
    The data in this table is sourced from UniChem at EBI.