Predicted GC-MS Spectrum - GC-MS (TMS_4_9) - 70eV, Positive (MMDBc0054157)
Spectrum Details
| MiMe ID: | MMDBc0054157 |
|---|---|
| Compound Name: | 2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonate |
| Derivative IUPAC Name: | trimethylsilyl (2S,4R,5S)-2-[bis(trimethylsilyl)amino]-4-hydroxy-6-oxo-5-[(trimethylsilyl)oxy]heptanoate |
| Derivative SMILES: | CC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=DZIWPQFPBQKQIJ-RCCFBDPRSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_9) - 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: | C7H13NO5 |
| Molecular Weight (Monoisotopic Mass): | 191.0794 Da |
| Derivative Type: | TMS_4_9 |
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