Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ01135905 contains the MS2 mass spectrum of EPN with the InChIkey AIGRXSNSLVJMEA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3
SMILES CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI Key AIGRXSNSLVJMEA-UHFFFAOYSA-N
Molecular Formula C14H14NO4PS
Exact Mass 323.038 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-EQ01135905
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:34733 chebi
    CHEMBL3184641 chembl
    2124407 surechembl
    16421 pubchem
    9Y6HP0HYA8 fdasrs
    148446 brenda
    36928 brenda
    HMDB0251870 hmdb
    The data in this table is sourced from UniChem at EBI.