Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	38117
Common Name:	Dimethylsulfide
Systematic Name:	(methylsulfanyl)methane
RefMet Name:	Dimethylsulfide
Synonyms:	[PubChem Synonyms]
Exact Mass:	62.0190 (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-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C2H6S
InChIKey:	QMMFVYPAHWMCMS-UHFFFAOYSA-N
ClassyFire superclass:	Organosulfur compounds [C0000004]
ClassyFire class:	Thioethers [C0001202]
ClassyFire subclass:	Dialkylthioethers [C0003862]
ClassyFire direct parent:	Dialkylthioethers [C0003862]
Massbank MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	CSC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	1068
CHEBI ID:	17437
HMDB ID:	HMDB0002303
KEGG ID:	C00580
Chemspider ID:	1039
METLIN ID:	6603
MetaCyc ID:	CPD-7670
NP-MRD ID(NMR):	NP0001419
Plant Metabolite Hub(Pmhub):	MS000016495

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