Predicted GC-MS Spectrum - GC-MS (TMS_6_2) - 70eV, Positive (MMDBc0053700)
Spectrum Details
| MiMe ID: | MMDBc0053700 |
|---|---|
| Compound Name: | S-Sulfanylglutathione |
| Derivative IUPAC Name: | trimethylsilyl (2S)-2-[bis(trimethylsilyl)amino]-4-{[(1R)-1-({2-oxo-2-[(trimethylsilyl)oxy]ethyl}carbamoyl)-2-[(trimethylsilyl)disulfanyl]ethyl](trimethylsilyl)carbamoyl}butanoate |
| Derivative SMILES: | C[Si](C)(C)OC(=O)CNC(=O)[C@H](CSS[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=QFMSGOSXPOWPAZ-ZEQRLZLVSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_6_2) - 70eV, Positive |
| Splash Key: | Not Available |
| Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
| Ionization Mode: | Positive |
|---|---|
| Ionization Energy: | 70 eV |
| Chromatography Type: | Gas Chromatography Column (GC) |
| Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C10H17N3O6S2 |
| Molecular Weight (Monoisotopic Mass): | 339.0559 Da |
| Derivative Type: | TMS_6_2 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 759 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References