RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0118196
RefMet name	Methylazoxymethanol
Systematic name	(methyl-ONN-azoxy)methanol
Synonyms	PubChem Synonyms
Exact mass	90.042927 (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	C2H6N2O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	51959 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C2H6N2O2/c1-4(6)3-2-5/h5H,2H2,1H3/b4-3-
InChIKey	BJNBRIBHKLJMAG-ARJAWSKDSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C/[N+](=N/CO)/[O-] Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Allyl-type 1,3-dipolar organic compounds
Sub Class	Allyl-type 1,3-dipolar organic compounds
Distribution of Methylazoxymethanol 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 Methylazoxymethanol
External Links
Pubchem CID	6433205
ChEBI ID	29323
KEGG ID	C02390
EPA CompTox	DTXCID9015076
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)