RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0199410
RefMet name	Paraoxon
Systematic name	diethyl 4-nitrophenyl phosphate
Synonyms	PubChem Synonyms
Exact mass	275.055874 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C10H14NO6P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	42178 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	WYMSBXTXOHUIGT-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-] Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Benzenoids
Main Class	Benzenes
Sub Class	Nitrobenzenes
Distribution of Paraoxon in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Paraoxon
External Links
Pubchem CID	9395
ChEBI ID	27827
KEGG ID	C06606
HMDB ID	HMDB0013035
Chemspider ID	9026
MetaCyc ID	PARAOXON
EPA CompTox	DTXCID004046
Spectral data for Paraoxon standards
MassBank(EU)	View MS spectra