Dataset

Profenofos

This MassBank record with Accession MSBNK-Eawag-EQ00379907 contains the MS2 mass spectrum of Profenofos with the InChIkey QYMMJNLHFKGANY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
SMILES CCCSP(=O)(OCC)OC1=C(C=C(C=C1)Br)Cl
InChI Key QYMMJNLHFKGANY-UHFFFAOYSA-N
Molecular Formula C11H15BrClO3PS
Exact Mass 371.935 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-EQ00379907
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:53:54.122377
MetadataModified 2025-02-09T09:53:54.320062
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
41198-08-7 ACToR
CHEMBL2138242 ChEMBL
15098558 PubChem: Thomson Pharma
PD157998 ProbesDrugs
81116-98-5 ACToR
81123-19-5 ACToR
SCHEMBL25281 SureChEMBL
38779 PubChem
508646 eMolecules
7528 Brenda
38845 ChEBI
C18404 KEGG Ligand
J15.829A Nikkaji
7J04O7BS4W FDA SRS
HY-B0832 MedChemExpress
DTXSID3032464 EPA CompTox Dashboard
CB9184781 ChemicalBook
The data in this table is sourced from UniChem at EBI.