Metabolomics Structure Database

 
MW REGNO: 51028
Common Name:Methyl sulfate
Systematic Name:methyl hydrogen sulfate
RefMet Name:Methyl sulfate
Synonyms: [PubChem Synonyms]
Exact Mass:
111.9830 (neutral)    Calculate m/z:
Formula:CH4O4S
InChIKey:JZMJDSHXVKJFKW-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Organic sulfuric acids and derivatives [C0000403]
ClassyFire subclass:Sulfuric acid esters [C0003455]
ClassyFire direct parent:Sulfuric acid monoesters [C0001185]
Massbank MS spectra:View MS spectra
SMILES:COS(=O)(=O)O
Studies:Available studies (via RefMet name)

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References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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