Predicted GC-MS Spectrum - GC-MS (TMS_4_2) - 70eV, Positive (MMDBc0056187)
Spectrum Details
| MiMe ID: | MMDBc0056187 |
|---|---|
| Compound Name: | N(5)-[1(S)-1-carboxyethyl]-L-ornithine |
| Derivative IUPAC Name: | trimethylsilyl (2S)-2-[bis(trimethylsilyl)amino]-5-{[(2S)-1-oxo-1-[(trimethylsilyl)oxy]propan-2-yl]amino}pentanoate |
| Derivative SMILES: | C[C@H](NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=VSGXKLNBXQIDIA-ROUUACIJSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_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: | C8H16N2O4 |
| Molecular Weight (Monoisotopic Mass): | 204.111 Da |
| Derivative Type: | TMS_4_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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References