Predicted GC-MS Spectrum - GC-MS (TMS_3_88) - 70eV, Positive (MMDBc0054493)
Spectrum Details
| MiMe ID: | MMDBc0054493 |
|---|---|
| Compound Name: | GDP-N-acetyl-alpha-D-perosamine |
| Derivative IUPAC Name: | N-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-({hydroxy[({[(2R,3R,4R,5R)-3-hydroxy-5-{2-imino-6-[(trimethylsilyl)oxy]-3,9-dihydro-2H-purin-9-yl}-4-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}[(trimethylsilyl)oxy]phosphoryl)oxy]phosphoryl}oxy)-2-methyloxan-3-yl]ethanimidic acid |
| Derivative SMILES: | CC(O)=N[C@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C3NC(=N)N=C4O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@@H]1C |
| Derivative InChIKey: | InChIKey=QYXAVABDEUQIGS-OOBOWQHASA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_88) - 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: | C18H28N6O15P2 |
| Molecular Weight (Monoisotopic Mass): | 630.1088 Da |
| Derivative Type: | TMS_3_88 |
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 | 4.64 KB |
References