Dataset

Anilofos

This MassBank record with Accession MSBNK-Waters-WA000008 contains the MS2 mass spectrum of Anilofos with the InChIkey NXQDBZGWYSEGFL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3
SMILES CC(C)N(C(=O)CSP(=S)(OC)OC)c(c1)ccc(Cl)c1
InChI Key NXQDBZGWYSEGFL-UHFFFAOYSA-N
Molecular Formula C13H19ClNO3PS2
Exact Mass 367.023 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000008
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:30:55.676373
MetadataModified 2025-02-09T20:27:30.832036
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18394 KEGG Ligand
HMDB0248439 Human Metabolome Database
J20.612A Nikkaji
HY-B2016 MedChemExpress
81728 ChEBI
ZINC000002243721 ZINC
DTXSID5058149 EPA CompTox Dashboard
91687 PubChem
14755169 PubChem: Thomson Pharma
64249-01-0 ACToR
71W48U40S6 FDA SRS
SCHEMBL36679 SureChEMBL
502850 eMolecules
CB6482455 ChemicalBook
The data in this table is sourced from UniChem at EBI.