Dataset

Dioxabenzofos

This MassBank record with Accession MSBNK-Eawag-EQ01135504 contains the MS2 mass spectrum of Dioxabenzofos with the InChIkey OUNSASXJZHBGAI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3
SMILES COP1(=S)OCC2=CC=CC=C2O1
InChI Key OUNSASXJZHBGAI-UHFFFAOYSA-N
Molecular Formula C8H9O3PS
Exact Mass 216.001 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-EQ01135504
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:21:41.341822
MetadataModified 2025-02-09T09:55:36.564362
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J26.478D Nikkaji
J3.062G Nikkaji
DTXSID7041885 EPA CompTox Dashboard
82120 ChEBI
6ZWK96BZW6 FDA SRS
CHEMBL226967 ChEMBL
C18981 KEGG Ligand
20208404 NMRShiftDB
CB4318367 ChemicalBook
19657 PubChem
SCHEMBL83406 SureChEMBL
3811-49-2 ACToR
90293-10-0 ACToR
90293-16-6 ACToR
36772359 eMolecules
The data in this table is sourced from UniChem at EBI.