Dataset

Malathion; ESI-QTOF; MS2; CE: 20; [M+H]+

This MassBank record with Accession MSBNK-AGILENT-AG000016 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)C(CC(=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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000016
Version
Author
Maintainer
Language
MetadataPublished 2023-02-17
Related Molecule
  • diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1200468 ChEMBL
    DB00772 DrugBank
    C07497 KEGG Ligand
    1626 DrugCentral
    DTXSID4020791 EPA CompTox Dashboard
    U5N7SU872W FDA SRS
    MALATHION clinicaltrials
    OVIDE clinicaltrials
    MALATHION rxnorm
    MALATHION DailyMed
    OVIDE rxnorm
    85372 BindingDB
    J381F Nikkaji
    141474 ChEBI
    20209207 NMRShiftDB
    4004 PubChem
    SCHEMBL27358 SureChEMBL
    1888 Brenda
    147039 Brenda
    PA164748092 PharmGKB
    malathion DailyMed
    HMDB0014910 Human Metabolome Database
    PD001937 ProbesDrugs
    Malathion Atlas
    14895285 PubChem: Thomson Pharma
    11096-67-6 ACToR
    121-75-5 ACToR
    500877 eMolecules
    The data in this table is sourced from UniChem at EBI.