Dataset

Dichlorvos

This MassBank record with Accession MSBNK-Eawag-EQ00304703 contains the MS2 mass spectrum of Dichlorvos with the InChIkey OEBRKCOSUFCWJD-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
SMILES	COP(=O)(OC)OC=C(Cl)Cl
InChI Key	OEBRKCOSUFCWJD-UHFFFAOYSA-N
Molecular Formula	C4H7Cl2O4P
Exact Mass	219.946 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00304703
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:54:12.655615
MetadataModified	2025-02-09T09:54:12.821421
MetadataPublished	2024-06-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
3039	PubChem
PD001938	ProbesDrugs
15464022	PubChem: Thomson Pharma
11095-17-3	ACToR
62-73-7	ACToR
7U370BPS14	FDA SRS
502039	eMolecules
HMDB0033956	Human Metabolome Database
17853	Brenda
130092	Brenda
165896	Brenda
1678	Brenda
117555	Brenda
SCHEMBL25067	SureChEMBL
20200878	NMRShiftDB
CHEMBL167911	ChEMBL
C14430	KEGG Ligand
34690	ChEBI
J2.352C	Nikkaji
DTXSID5020449	EPA CompTox Dashboard
50286926	BindingDB
MCULE-3173230917	Mcule
ZINC000001853865	ZINC
CB3122691	ChemicalBook
94512	Brenda
DB11397	DrugBank
The data in this table is sourced from UniChem at EBI.