Dataset

EPN

This MassBank record with Accession MSBNK-Eawag-EQ01135907 contains the MS2 mass spectrum of EPN with the InChIkey AIGRXSNSLVJMEA-UHFFFAOYSA-N.

Chemical Info

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-EQ01135907
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:06:47.307803
MetadataModified 2025-02-09T09:59:50.297153
MetadataPublished 2023-04-27
Related Molecule
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.