Dataset

Etrimfos

This MassBank record with Accession MSBNK-Eawag-EQ01136201 contains the MS2 mass spectrum of Etrimfos with the InChIkey FGIWFCGDPUIBEZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3
SMILES CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC
InChI Key FGIWFCGDPUIBEZ-UHFFFAOYSA-N
Molecular Formula C10H17N2O4PS
Exact Mass 292.065 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-EQ01136201
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:18:07.162283
MetadataModified 2025-02-09T10:03:04.471953
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
37995 PubChem
XHX5LWR4ME FDA SRS
110268218 PubChem: Thomson Pharma
SCHEMBL116652 SureChEMBL
38260-54-7 ACToR
509824 eMolecules
HMDB0031783 Human Metabolome Database
206580 Brenda
C18985 KEGG Ligand
ZINC000002007826 ZINC
DTXSID7041964 EPA CompTox Dashboard
82124 ChEBI
J3.502E Nikkaji
CHEMBL1316772 ChEMBL
CB1281541 ChemicalBook
The data in this table is sourced from UniChem at EBI.