Dataset

Pyrazophos; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU260402 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=CN2N=C(OP(=S)(OCC)OCC)C=C2N=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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU260402
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Maintainer
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MetadataPublished 2019-05-30
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
    CHEBI:81942 chebi
    CHEMBL1537719 chembl
    22029 surechembl
    26033 pubchem
    BEG0A8I17D fdasrs
    HMDB0256957 hmdb
    The data in this table is sourced from UniChem at EBI.