RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0188648
RefMet name	Aldicarb sulfoxide
Systematic name	[(E)-(2-methyl-2-methylsulfinyl-propylidene)amino] N-methylcarbamate
Synonyms	PubChem Synonyms
Exact mass	206.072515 (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	C7H14N2O3S	View other entries in RefMet with this formula
Molecular descriptors
Molfile	206853 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	BXPMAGSOWXBZHS-WEVVVXLNSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(C)(/C=N/OC(=O)NC)S(=O)C Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organosulfur compounds
Main Class	Organosulfur compounds
Sub Class	Sulfoxides
Distribution of Aldicarb sulfoxide 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 Aldicarb sulfoxide
External Links
Pubchem CID	9568700
HMDB ID	HMDB0248125
Chemspider ID	7843407
EPA CompTox	DTXCID20911588
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)