Dataset

Dimethenamid-OA; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU264501 contains the MS2 mass spectrum of Dimethenamid-OA with the InChIkey HOYCASTVMCEOTP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H17NO4S/c1-7-6-18-9(3)10(7)13(8(2)5-17-4)11(14)12(15)16/h6,8H,5H2,1-4H3,(H,15,16)
SMILES COCC(C)N(C(=O)C(O)=O)C1=C(C)SC=C1C
InChI Key HOYCASTVMCEOTP-UHFFFAOYSA-N
Molecular Formula C12H17NO4S
Exact Mass 271.088 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-Athens_Univ-AU264501
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MetadataPublished 2019-05-30
Related Molecule
  • 2-[(2,4-dimethylthiophen-3-yl)-(1-methoxypropan-2-yl)amino]-2-oxoacetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID4037530 EPA CompTox Dashboard
    MTBLC83460 Metabolights
    83460 ChEBI
    86290064 PubChem
    J1.704.092H Nikkaji
    The data in this table is sourced from UniChem at EBI.