RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0037262
RefMet name	Dimethyl trisulfide
Systematic name	dimethyltrisulfane
Synonyms	PubChem Synonyms
Exact mass	125.963162 (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	C2H6S3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	42494 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3
InChIKey	YWHLKYXPLRWGSE-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CSSSC Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organosulfur compounds
Main Class	Organic trisulfides
Sub Class	Organic trisulfides
Distribution of Dimethyl trisulfide 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 Dimethyl trisulfide
External Links
Pubchem CID	19310
ChEBI ID	4614
KEGG ID	C08372
HMDB ID	HMDB0013780
Chemspider ID	18219
PhytoHub DB	PHUB000759
Spectral data for Dimethyl trisulfide standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)