Dataset

Diazinon (Dimpylate)

This MassBank record with Accession MSBNK-AGILENT-AG000010 contains the MS2 mass spectrum of Diazinon (Dimpylate) with the InChIkey FHIVAFMUCKRCQO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
SMILES	CC1=CC(=NC(=N1)C(C)C)OP(=S)(OCC)OCC
InChI Key	FHIVAFMUCKRCQO-UHFFFAOYSA-N
Molecular Formula	C12H21N2O3PS
Exact Mass	304.101 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000010
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:28:52.918250
MetadataModified	2024-01-11T09:28:53.071230
MetadataPublished	2023-02-17

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
20207919	NMRShiftDB
SCHEMBL17453	SureChEMBL
J3.278F	Nikkaji
3017	PubChem
PD001939	ProbesDrugs
YUS1M1Q929	FDA SRS
15419751	PubChem: Thomson Pharma
27936-40-9	ACToR
333-41-5	ACToR
Diazinon	Atlas
ZINC000000001309	ZINC
50005409	BindingDB
DTXSID9020407	EPA CompTox Dashboard
DIMPYLATE	clinicaltrials
HY-B1113	MedChemExpress
DIAZINON	clinicaltrials
CB7702086	ChemicalBook
HMDB0032943	Human Metabolome Database
26753541	eMolecules
509708	eMolecules
CHEMBL388560	ChEMBL
34682	ChEBI
C14324	KEGG Ligand
The data in this table is sourced from UniChem at EBI.