Dataset

Malathion; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00389102 contains the MS2 mass spectrum of Malathion with the InChIkey JXSJBGJIGXNWCI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
SMILES CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC
InChI Key JXSJBGJIGXNWCI-UHFFFAOYSA-N
Molecular Formula C10H19O6PS2
Exact Mass 330.036 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-EQ00389102
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
Related Molecule
  • diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00772 drugbank
    CHEBI:141474 chebi
    CHEMBL1200468 chembl
    27358 surechembl
    4004 pubchem
    U5N7SU872W fdasrs
    PD001937 probes_and_drugs
    147039 brenda
    1888 brenda
    HMDB0014910 hmdb
    1626 drugcentral
    85372 bindingdb
    The data in this table is sourced from UniChem at EBI.