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2-Mercaptoethanesulfonic acid, 1TMS
SpectraBase Compound ID 5etlfaLYOjf
InChI InChI=1S/C5H14O3S2Si/c1-11(2,3)8-10(6,7)5-4-9/h9H,4-5H2,1-3H3
InChIKey FPUXLGLBLWILIZ-UHFFFAOYSA-N
Mol Weight 214.37 g/mol
Molecular Formula C5H14O3S2Si
Exact Mass 214.015363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lHDmlFROR3
Name 2-Mercaptoethanesulfonic acid, 1TMS
Comments Derivatization type: 1 TMS (mass: 214.015); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000976; Note: The molecular formula of the structure shown is C2H6O3S2 - which differs from the formula reported for the mass spectrum (C5H14O3S2Si)
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Formula C5H14O3S2Si
InChI InChI=1S/C5H14O3S2Si/c1-11(2,3)8-10(6,7)5-4-9/h9H,4-5H2,1-3H3
InChIKey FPUXLGLBLWILIZ-UHFFFAOYSA-N
Molecular Weight 214.369 g/mol
SMILES SCCS(O[Si](C)(C)C)(=O)=O
SPLASH splash10-052u-3900000000-a83283d6386859cd5259
Source of Spectrum FM-2019-976-0
Synonyms mesna, 1TMS coenzyme M, 1TMS Mistabronco, 1TMS Uromitexan, 1TMS Mucofluid, 1TMS reduced CoM, 1TMS 2-Mercaptoethanesulfonic, 1TMS 2-sulfanylethanesulfonic acid, 1TMS Trimethylsilyl 2-mercaptoethane-1-sulfonate
Wiley ID 1818636