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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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
    16421 PubChem
    SCHEMBL2124407 SureChEMBL
    15470128 PubChem: Thomson Pharma
    65580-79-2 ACToR
    65580-80-5 ACToR
    2104-64-5 ACToR
    31216691 eMolecules
    148446 Brenda
    36928 Brenda
    34733 ChEBI
    C14434 KEGG Ligand
    HMDB0251870 Human Metabolome Database
    CHEMBL3184641 ChEMBL
    9Y6HP0HYA8 FDA SRS
    DTXSID7022174 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.