Dataset

Chlorpyrifos-methyl

This MassBank record with Accession MSBNK-Eawag-EQ00295101 contains the MS2 mass spectrum of Chlorpyrifos-methyl with the InChIkey HRBKVYFZANMGRE-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3
SMILES	COP(=S)(OC)OC1=NC(Cl)=C(Cl)C=C1Cl
InChI Key	HRBKVYFZANMGRE-UHFFFAOYSA-N
Molecular Formula	C7H7Cl3NO3PS
Exact Mass	320.895 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-EQ00295101
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:54:06.719356
MetadataModified	2025-02-09T09:54:06.888000
MetadataPublished	2024-06-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
34632	ChEBI
C14520	KEGG Ligand
CHEMBL1370646	ChEMBL
ZINC000002037154	ZINC
J3.075I	Nikkaji
HMDB0250138	Human Metabolome Database
MCPHOT	CCDC
DTXSID6032352	EPA CompTox Dashboard
21803	PubChem
SCHEMBL27546	SureChEMBL
36924	Brenda
130509	Brenda
22219	Brenda
206582	Brenda
CB8332228	ChemicalBook
509662	eMolecules
O49S38267J	FDA SRS
PD080409	ProbesDrugs
15470103	PubChem: Thomson Pharma
5598-13-0	ACToR
The data in this table is sourced from UniChem at EBI.