Dataset

Dialifos

This MassBank record with Accession MSBNK-Eawag-EQ01122805 contains the MS2 mass spectrum of Dialifos with the InChIkey MUMQYXACQUZOFP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H17ClNO4PS2/c1-3-19-21(22,20-4-2)23-12(9-15)16-13(17)10-7-5-6-8-11(10)14(16)18/h5-8,12H,3-4,9H2,1-2H3
SMILES CCOP(=S)(OCC)SC(CCl)N1C(=O)C2=CC=CC=C2C1=O
InChI Key MUMQYXACQUZOFP-UHFFFAOYSA-N
Molecular Formula C14H17ClNO4PS2
Exact Mass 393.002 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-EQ01122805
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:06:19.630695
MetadataModified 2025-02-09T10:08:31.646421
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
31216697 eMolecules
25146 PubChem
16808561 PubChem: Thomson Pharma
10311-84-9 ACToR
HMDB0251126 Human Metabolome Database
J3.118F Nikkaji
8480K0VB4E FDA SRS
82158 ChEBI
DTXSID0037522 EPA CompTox Dashboard
SCHEMBL122099 SureChEMBL
C19028 KEGG Ligand
CHEMBL1901826 ChEMBL
The data in this table is sourced from UniChem at EBI.