Dataset

N,N'-Dimethylthiourea; ESI-QTOF; MS2; CE: 10; [M+H]+

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000039 contains the MS2 mass spectrum of N,N'-Dimethylthiourea with the InChIkey VLCDUOXHFNUCKK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
SMILES CNC(=S)NC
InChI Key VLCDUOXHFNUCKK-UHFFFAOYSA-N
Molecular Formula C3H8N2S
Exact Mass 104.041 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-EPA-ENTACT_AGILENT000039
Version
Author
Maintainer
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MetadataPublished 2023-05-02
Related Molecule
  • N,N'-dimethylcarbamimidothioic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3189044 chembl
    12149464 surechembl
    3499190 surechembl
    3499193 surechembl
    45851 surechembl
    2723631 pubchem
    8P30PMD17W fdasrs
    PD158360 probes_and_drugs
    HAMPAQ CCDC
    125017 brenda
    HMDB0255274 hmdb
    Molport-003-932-250 molport
    50607936 bindingdb
    The data in this table is sourced from UniChem at EBI.