Dataset

Thiodicarb; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01131407 contains the MS2 mass spectrum of Thiodicarb with the InChIkey XDOTVMNBCQVZKG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3
SMILES CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC
InChI Key XDOTVMNBCQVZKG-UHFFFAOYSA-N
Molecular Formula C10H18N4O4S3
Exact Mass 354.049 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-EQ01131407
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MetadataPublished 2023-04-27
Related Molecule
  • methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamoyl]oxyethanimidothioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0259010 Human Metabolome Database
    ZINC000271778442 ZINC
    62155 PubChem
    K6S32206KF FDA SRS
    The data in this table is sourced from UniChem at EBI.