Dataset

Fenthion

This MassBank record with Accession MSBNK-Athens_Univ-AU315502 contains the MS2 mass spectrum of Fenthion with the InChIkey PNVJTZOFSHSLTO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3
SMILES	COP(=S)(OC)OC1=CC(C)=C(SC)C=C1
InChI Key	PNVJTZOFSHSLTO-UHFFFAOYSA-N
Molecular Formula	C10H15O3PS2
Exact Mass	278.020 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-Athens_Univ-AU315502
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T08:51:42.805973
MetadataModified	2025-02-08T18:59:18.420196
MetadataPublished	2015-12-08
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1604375	ChEMBL
34761	ChEBI
C14420	KEGG Ligand
DB11412	DrugBank
2448	Brenda
CB1129166	ChemicalBook
3346	PubChem
CIJVEY	CCDC
J2.314K	Nikkaji
DTXSID8020620	EPA CompTox Dashboard
ZINC000000001443	ZINC
501316	eMolecules
PD001932	ProbesDrugs
BL0L45OVKT	FDA SRS
14750812	PubChem: Thomson Pharma
55-38-9	ACToR
SCHEMBL26907	SureChEMBL
LSM-25615	LINCS
20208630	NMRShiftDB
HMDB0033209	Human Metabolome Database
94093	Brenda
The data in this table is sourced from UniChem at EBI.