Dataset

Hexythiazox; LC-ESI-QFT; MS2; CE: 120%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00352707 contains the MS2 mass spectrum of Hexythiazox with the InChIkey XGWIJUOSCAQSSV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)
SMILES CC1C(SC(=O)N1C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl
InChI Key XGWIJUOSCAQSSV-UHFFFAOYSA-N
Molecular Formula C17H21ClN2O2S
Exact Mass 352.101 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00352707
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MetadataPublished 2024-06-14
Related Molecule
  • 5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL53695 SureChEMBL
    PD085524 ProbesDrugs
    4560140 PubChem
    HMDB0253168 Human Metabolome Database
    J3.005.230G Nikkaji
    The data in this table is sourced from UniChem at EBI.