Dataset

Pyrazophos; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01139409 contains the MS2 mass spectrum of Pyrazophos with the InChIkey JOOMJVFZQRQWKR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3
SMILES CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C
InChI Key JOOMJVFZQRQWKR-UHFFFAOYSA-N
Molecular Formula C14H20N3O5PS
Exact Mass 373.086 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-EQ01139409
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MetadataPublished 2023-04-27
Related Molecule
  • ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1537719 ChEMBL
    C18761 KEGG Ligand
    CB3397211 ChemicalBook
    HMDB0256957 Human Metabolome Database
    J1.860K Nikkaji
    DTXSID7042352 EPA CompTox Dashboard
    81942 ChEBI
    ZINC000004866194 ZINC
    510171 eMolecules
    BEG0A8I17D FDA SRS
    SCHEMBL22029 SureChEMBL
    16550601 PubChem: Thomson Pharma
    26033 PubChem
    13457-18-6 ACToR
    The data in this table is sourced from UniChem at EBI.