Dataset

Parathion-methyl; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU261603 contains the MS2 mass spectrum of Parathion-methyl with the InChIkey RLBIQVVOMOPOHC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
SMILES COP(=S)(OC)OC1=CC=C(C=C1)[N+]([O-])=O
InChI Key RLBIQVVOMOPOHC-UHFFFAOYSA-N
Molecular Formula C8H10NO5PS
Exact Mass 263.002 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-AU261603
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MetadataPublished 2019-05-30
Related Molecule
  • dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C14228 KEGG Ligand
    CHEMBL346516 ChEMBL
    38746 ChEBI
    41BCL2O91D FDA SRS
    230568 Brenda
    MPARAT CCDC
    HMDB0256125 Human Metabolome Database
    ZINC000002040890 ZINC
    229646 Brenda
    DTXSID1020855 EPA CompTox Dashboard
    232603 Brenda
    234279 Brenda
    229645 Brenda
    SCHEMBL75215 SureChEMBL
    83264 Brenda
    5347 Brenda
    7726 Brenda
    27989 Brenda
    4130 PubChem
    14750243 PubChem: Thomson Pharma
    298-00-0 ACToR
    PD086638 ProbesDrugs
    500962 eMolecules
    The data in this table is sourced from UniChem at EBI.