Dataset

Tolclofos-methyl

This MassBank record with Accession MSBNK-Eawag-EQ00354007 contains the MS2 mass spectrum of Tolclofos-methyl with the InChIkey OBZIQQJJIKNWNO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3
SMILES COP(=S)(OC)OC1=C(Cl)C=C(C)C=C1Cl
InChI Key OBZIQQJJIKNWNO-UHFFFAOYSA-N
Molecular Formula C9H11Cl2O3PS
Exact Mass 299.954 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-EQ00354007
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:28:16.244902
MetadataModified 2025-02-09T09:28:16.436576
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18407 KEGG Ligand
J1.904F Nikkaji
HY-B2053 MedChemExpress
252979 Brenda
DTXSID0034776 EPA CompTox Dashboard
CB2451996 ChemicalBook
ZINC000002555394 ZINC
SCHEMBL30367 SureChEMBL
91664 PubChem
CHEMBL2141416 ChEMBL
16254191 PubChem: Thomson Pharma
57018-04-9 ACToR
PD011975 ProbesDrugs
G42OQL6F5B FDA SRS
81731 ChEBI
501452 eMolecules
The data in this table is sourced from UniChem at EBI.