| CAS No. | 162138-71-8 |
| Molecular Formula | C9H15N3O2S |
| Molecular Weight | 229.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 229.30 g/mol gives N-Desmethyl L-Ergothioneine Methyl Ester distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
N-Desmethyl L-Ergothioneine Methyl Ester (CAS 162138-71-8) is a high-purity analytical reference standard with the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol.
Based on its molecular formula C9H15N3O2S, N-Desmethyl L-Ergothioneine Methyl Ester contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 229.30 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
| Molecular Formula | C9H15N3O2S |
| Molecular Weight | 229.30 g/mol |
| Purity | >95% |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2003 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |