RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200170
RefMet name	Triazophos
Systematic name	O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) phosphorothioate
Synonyms	PubChem Synonyms
Exact mass	313.064999 (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	C12H16N3O3PS	View other entries in RefMet with this formula
Molecular descriptors
Molfile	56095 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	AMFGTOFWMRQMEM-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCOP(=S)(OCC)Oc1ncn(c2ccccc2)n1 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Azoles
Sub Class	Triazoles
Distribution of Triazophos 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 Triazophos
External Links
Pubchem CID	32184
ChEBI ID	38963
HMDB ID	HMDB0259159
EPA CompTox	DTXCID7017612
Spectral data for Triazophos standards
MassBank(EU)	View MS spectra