Dataset

Methiocarb; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU258004 contains the MS2 mass spectrum of Methiocarb with the InChIkey YFBPRJGDJKVWAH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)
SMILES CNC(=O)OC1=CC(C)=C(SC)C(C)=C1
InChI Key YFBPRJGDJKVWAH-UHFFFAOYSA-N
Molecular Formula C11H15NO2S
Exact Mass 225.082 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-AU258004
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Maintainer
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MetadataPublished 2019-05-29
Related Molecule
  • (3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16248 PubChem
    PD085525 ProbesDrugs
    14798045 PubChem: Thomson Pharma
    2032-65-7 ACToR
    SCHEMBL24740 SureChEMBL
    JI9431OS31 FDA SRS
    31216746 eMolecules
    CHEMBL1076495 ChEMBL
    38508 ChEBI
    C18651 KEGG Ligand
    14081 Brenda
    CB1254073 ChemicalBook
    DTXSID3032626 EPA CompTox Dashboard
    ZINC000002038975 ZINC
    HMDB0254529 Human Metabolome Database
    J7.851D Nikkaji
    MESURO CCDC
    The data in this table is sourced from UniChem at EBI.