Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ01120116 contains the MS2 mass spectrum of Amidithion with the InChIkey GDTZUQIYUMGJRT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H16NO4PS2/c1-10-5-4-8-7(9)6-15-13(14,11-2)12-3/h4-6H2,1-3H3,(H,8,9)
SMILES COCCNC(=O)CSP(=S)(OC)OC
InChI Key GDTZUQIYUMGJRT-UHFFFAOYSA-N
Molecular Formula C7H16NO4PS2
Exact Mass 273.026 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-EQ01120116
Version
Author
Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • 2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C18963 KEGG Ligand
    CB9700172 ChemicalBook
    J8.648G Nikkaji
    AMIDTH CCDC
    82102 ChEBI
    ZINC000002040193 ZINC
    DTXSID2041595 EPA CompTox Dashboard
    SCHEMBL118807 SureChEMBL
    13525 PubChem
    7228-55-9 ACToR
    919-76-6 ACToR
    3329OQJ0YC FDA SRS
    The data in this table is sourced from UniChem at EBI.