For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
L-Methionine methylsulfonium iodide
SpectraBase Compound ID D3g1YcLWvgI
InChI InChI=1S/C6H13NO2S.HI/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1
InChIKey YFDARUPBTIEXOS-JEDNCBNOSA-N
Mol Weight 291.15 g/mol
Molecular Formula C6H14INO2S
Exact Mass 290.978995 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GC1qoAfjXVm
Name L-Methionine methylsulfonium iodide
Acquisition Mode SIMULTANEOUS
CAS Registry Number 34236-06-1
Comments 100 mM L-methionine methylsulfonium iodide - vendor: Acros 277940050; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C6H14INO2S
IUPAC Name (3-amino-3-carboxy-propyl)-dimethyl-sulfanium iodide; (3-amino-3-carboxy-propyl)-dimethyl-sulfonium iodide
InChI InChI=1S/C6H13NO2S.HI/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1
InChIKey YFDARUPBTIEXOS-JEDNCBNOSA-N
PubChem Compound ID 200814
SMILES C[S+](C)CCC(C(=O)O)N.[I-]
Source File Reference bmse000153