Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0056299)
Spectrum Details
| MiMe ID: | MMDBc0056299 |
|---|---|
| Compound Name: | S-3-(hexan-1-ol)-L-cysteine |
| Derivative IUPAC Name: | trimethylsilyl (2R)-2-amino-3-[(1-hydroxyhexan-3-yl)sulfanyl]propanoate |
| Derivative SMILES: | CCCC(CCO)SC[C@H](N)C(=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=OJHBSDSREDHXAN-DTIOYNMSSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C9H19NO3S |
| Molecular Weight (Monoisotopic Mass): | 221.1086 Da |
| Derivative Type: | TMS_1_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 | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References