Dataset

Ditalimfos

This MassBank record with Accession MSBNK-Eawag-EQ01135709 contains the MS2 mass spectrum of Ditalimfos with the InChIkey MTBZIGHNGSTDJV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3
SMILES CCOP(=S)(N1C(=O)C2=CC=CC=C2C1=O)OCC
InChI Key MTBZIGHNGSTDJV-UHFFFAOYSA-N
Molecular Formula C12H14NO4PS
Exact Mass 299.038 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-EQ01135709
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:04:38.592939
MetadataModified 2025-02-09T09:55:10.446863
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
21207 PubChem
SCHEMBL22128 SureChEMBL
96036426 PubChem: Thomson Pharma
80DYL6I8WW FDA SRS
5131-24-8 ACToR
CB7455616 ChemicalBook
509771 eMolecules
C18925 KEGG Ligand
J8.813G Nikkaji
DATGAH CCDC
82067 ChEBI
DTXSID3041902 EPA CompTox Dashboard
ZINC000002037400 ZINC
The data in this table is sourced from UniChem at EBI.