Dataset

Paraoxon-ethyl; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01129003 contains the MS2 mass spectrum of Paraoxon-ethyl with the InChIkey WYMSBXTXOHUIGT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
SMILES CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI Key WYMSBXTXOHUIGT-UHFFFAOYSA-N
Molecular Formula C10H14NO6P
Exact Mass 275.056 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-EQ01129003
Version
Author
Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • diethyl (4-nitrophenyl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13495 drugbank
    CHEBI:27827 chebi
    CHEMBL23838 chembl
    26405 surechembl
    9395 pubchem
    Q9CX8P80JW fdasrs
    PD071962 probes_and_drugs
    103876 brenda
    106987 brenda
    112667 brenda
    117561 brenda
    12172 brenda
    129658 brenda
    148099 brenda
    163614 brenda
    1644 brenda
    177500 brenda
    178228 brenda
    17929 brenda
    183069 brenda
    197740 brenda
    20240 brenda
    21303 brenda
    228 brenda
    230566 brenda
    232602 brenda
    234393 brenda
    234431 brenda
    27606 brenda
    35441 brenda
    5352 brenda
    53873 brenda
    58859 brenda
    9149 brenda
    93181 brenda
    94511 brenda
    97353 brenda
    HMDB0013035 hmdb
    Molport-001-783-414 molport
    4683 drugcentral
    50240416 bindingdb
    The data in this table is sourced from UniChem at EBI.