Predicted GC-MS Spectrum - GC-MS (TMS_4_1) - 70eV, Positive (MMDBc0054852)
Spectrum Details
| MiMe ID: | MMDBc0054852 |
|---|---|
| Compound Name: | (2S)-2-amino-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]amino}butanoic acid |
| Derivative IUPAC Name: | trimethylsilyl (2S)-2-[bis(trimethylsilyl)amino]-4-{[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[(trimethylsilyl)oxy]propan-2-yl]amino}butanoate |
| Derivative SMILES: | C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1)NCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=UBCXRVKZMGIUBG-PMACEKPBSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_1) - 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: | C10H16N4O4 |
| Molecular Weight (Monoisotopic Mass): | 256.1172 Da |
| Derivative Type: | TMS_4_1 |
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 | 761 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References