Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0056293)
Spectrum Details
| MiMe ID: | MMDBc0056293 |
|---|---|
| Compound Name: | S-(1-hydroxy-3-methylhexan-3-yl)-L-cysteinylglycine |
| Derivative IUPAC Name: | 2-{[(2R)-2-amino-3-[(1-hydroxy-3-methylhexan-3-yl)sulfanyl]-1-[(trimethylsilyl)oxy]propylidene]amino}acetic acid |
| Derivative SMILES: | CCCC(C)(CCO)SC[C@H](N)C(=NCC(=O)O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=NWRCJIMCXJPNLP-SFVWDYPZSA-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: | C12H24N2O4S |
| Molecular Weight (Monoisotopic Mass): | 292.1457 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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References