Dataset

Monocrotophos; LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU313307 contains the MS2 mass spectrum of Monocrotophos with the InChIkey KRTSDMXIXPKRQR-AATRIKPKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+
SMILES C/C(=C\C(=N\C)\O)/OP(=O)(OC)OC
InChI Key KRTSDMXIXPKRQR-AATRIKPKSA-N
Molecular Formula C7H14NO5P
Exact Mass 223.061 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-AU313307
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Maintainer
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MetadataPublished 2016-02-26
Related Molecule
  • dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:38728 chebi
    CHEMBL2272785 chembl
    27294 surechembl
    5371562 pubchem
    5Q3PE07Z18 fdasrs
    ULEJIF CCDC
    9483 brenda
    HMDB0031805 hmdb
    The data in this table is sourced from UniChem at EBI.