Dataset

Trichlorfon

This MassBank record with Accession MSBNK-Eawag-EQ01131809 contains the MS2 mass spectrum of Trichlorfon with the InChIkey NFACJZMKEDPNKN-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3
SMILES	COP(=O)(C(C(Cl)(Cl)Cl)O)OC
InChI Key	NFACJZMKEDPNKN-UHFFFAOYSA-N
Molecular Formula	C4H8Cl3O4P
Exact Mass	255.923 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-EQ01131809
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T13:04:49.511583
MetadataModified	2025-02-09T10:01:25.350664
MetadataPublished	2023-04-27
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
30480	Brenda
CB7472545	ChemicalBook
11343	Brenda
30096993	NMRShiftDB
MCULE-8125791587	Mcule
SCHEMBL15972	SureChEMBL
5853	PubChem
PD000287	ProbesDrugs
14823656	PubChem: Thomson Pharma
52-68-6	ACToR
37333-09-8	ACToR
LSM-4995	LINCS
510301	eMolecules
50286920	BindingDB
TRICHLORFON	rxnorm
1787	DrugCentral
37VCQ9C0OG	FDA SRS
1MVY4KU98F	FDA SRS
DBF2DG4G2K	FDA SRS
HMDB0254686	Human Metabolome Database
DTXSID0021389	EPA CompTox Dashboard
J2.309D	Nikkaji
DB11473	DrugBank
CHEMBL167150	ChEMBL
C07971	KEGG Ligand
12014500	PubChem: Drugs of the Future
6908	ChEBI
The data in this table is sourced from UniChem at EBI.