Dataset

Isofenphos

This MassBank record with Accession MSBNK-Eawag-EQ01137607 contains the MS2 mass spectrum of Isofenphos with the InChIkey HOQADATXFBOEGG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)
SMILES CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C
InChI Key HOQADATXFBOEGG-UHFFFAOYSA-N
Molecular Formula C15H24NO4PS
Exact Mass 345.116 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-EQ01137607
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:57:13.143730
MetadataModified 2025-02-09T09:58:50.319128
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
20208839 NMRShiftDB
HMDB0031796 Human Metabolome Database
500864 eMolecules
15249994 PubChem: Thomson Pharma
103982-07-6 ACToR
25311-71-1 ACToR
103982-06-5 ACToR
SCHEMBL26546 SureChEMBL
6009 ChEBI
J19.923K Nikkaji
0514MAW53A FDA SRS
DTXSID8032417 EPA CompTox Dashboard
32872 PubChem
CHEMBL1882342 ChEMBL
C11002 KEGG Ligand
The data in this table is sourced from UniChem at EBI.