| SpectraBase Spectrum ID |
1CMpwzgAzix |
| 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 |
