Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU311110 contains the MS2 mass spectrum of Acephate with the InChIkey YASYVMFAVPKPKE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)
SMILES CC(=O)NP(=O)(OC)SC
InChI Key YASYVMFAVPKPKE-UHFFFAOYSA-N
Molecular Formula C4H10NO3PS
Exact Mass 183.012 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-AU311110
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Maintainer
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MetadataPublished 2016-02-26
Related Molecule
  • N-[methoxy(methylsulfanyl)phosphoryl]acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB5249028 ChemicalBook
    33330 Brenda
    SCHEMBL27847 SureChEMBL
    1982 PubChem
    CHEMBL2133249 ChEMBL
    15165233 PubChem: Thomson Pharma
    115096-11-2 ACToR
    30560-19-1 ACToR
    PD078096 ProbesDrugs
    502047 eMolecules
    C14426 KEGG Ligand
    34520 ChEBI
    J4.532B Nikkaji
    HMDB0247901 Human Metabolome Database
    3Y417O444D FDA SRS
    HY-B0841 MedChemExpress
    DTXSID8023846 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.