RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0137017
RefMet name	Methyl methanesulfonate
Systematic name	methyl methanesulfonate
Synonyms	PubChem Synonyms
Exact mass	110.003767 (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	C2H6O3S	View other entries in RefMet with this formula
Molecular descriptors
Molfile	53965 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3
InChIKey	MBABOKRGFJTBAE-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	COS(=O)(=O)C Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Organosulfonic acids
Sub Class	Organosulfonic acids
Distribution of Methyl methanesulfonate 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 Methyl methanesulfonate
External Links
Pubchem CID	4156
ChEBI ID	25255
KEGG ID	C19181
HMDB ID	HMDB0254601
MetaCyc ID	CPD-7038
EPA CompTox	DTXCID10845
Spectral data for Methyl methanesulfonate standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)