Dataset

Isocarbophos; LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01137505 contains the MS2 mass spectrum of Isocarbophos with the InChIkey YFVOXLJXJBQDEF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18)
SMILES CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC
InChI Key YFVOXLJXJBQDEF-UHFFFAOYSA-N
Molecular Formula C11H16NO4PS
Exact Mass 289.054 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-EQ01137505
Version
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • propan-2-yl 2-[amino(methoxy)phosphinothioyl]oxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    38704 ChEBI
    DTXSID7042063 EPA CompTox Dashboard
    CHEMBL3185588 ChEMBL
    7741NPW06X FDA SRS
    J1.786.837C Nikkaji
    90479 PubChem
    SCHEMBL117792 SureChEMBL
    24353-61-5 ACToR
    499055 eMolecules
    The data in this table is sourced from UniChem at EBI.