Dataset

Pirimiphos-Ethyl

This MassBank record with Accession MSBNK-Eawag-EQ01139104 contains the MS2 mass spectrum of Pirimiphos-Ethyl with the InChIkey TZBPRYIIJAJUOY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3
SMILES CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)C
InChI Key TZBPRYIIJAJUOY-UHFFFAOYSA-N
Molecular Formula C13H24N3O3PS
Exact Mass 333.128 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-EQ01139104
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:29:53.528375
MetadataModified 2025-02-09T10:00:51.460988
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1315977 ChEMBL
C19012 KEGG Ligand
206579 Brenda
CB4322616 ChemicalBook
J3.793A Nikkaji
ZINC000000001961 ZINC
82146 ChEBI
DTXSID5042297 EPA CompTox Dashboard
31957 PubChem
3L26N84757 FDA SRS
14753313 PubChem: Thomson Pharma
SCHEMBL74180 SureChEMBL
23505-41-1 ACToR
510075 eMolecules
The data in this table is sourced from UniChem at EBI.