Dataset

Dimethenamid; LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00025406 contains the MS2 mass spectrum of Dimethenamid with the InChIkey JLYFCTQDENRSOL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3
SMILES COCC(C)N(C(=O)CCl)C1=C(C)SC=C1C
InChI Key JLYFCTQDENRSOL-UHFFFAOYSA-N
Molecular Formula C12H18ClNO2S
Exact Mass 275.075 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-EQ00025406
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MetadataPublished 2024-06-14
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91744 PubChem
    SCHEMBL53864 SureChEMBL
    87674-68-8 ACToR
    16121612 PubChem: Thomson Pharma
    511273 eMolecules
    DTXSID4032376 EPA CompTox Dashboard
    J3.032.849C Nikkaji
    8504Z6C4XZ FDA SRS
    HMDB0251377 Human Metabolome Database
    83638 ChEBI
    J646.758J Nikkaji
    CB6107545 ChemicalBook
    CHEMBL1565335 ChEMBL
    C18499 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.