Predicted GC-MS Spectrum - GC-MS (TMS_4_5) - 70eV, Positive (MMDBc0031695)
Spectrum Details
| MiMe ID: | MMDBc0031695 |
|---|---|
| Compound Name: | 4-Amino-4-deoxy-L-arabinose |
| Derivative IUPAC Name: | [({[(2R,3S,4R,5R)-3,4-dihydroxy-5-{2-oxo-4-[(trimethylsilyl)oxy]-1,2-dihydropyrimidin-1-yl}oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4S,5S)-5-[(trimethylsilyl)amino]-3,4-bis[(trimethylsilyl)oxy]oxan-2-yl]oxy})phosphinic acid |
| Derivative SMILES: | C[Si](C)(C)N[C@H]1CO[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(O[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=CDMPYMQVHWHMQZ-FRHIDYCPSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_5) - 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: | C14H23N3O15P2 |
| Molecular Weight (Monoisotopic Mass): | 535.0604 Da |
| Derivative Type: | TMS_4_5 |
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 | 779 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References