Predicted GC-MS Spectrum - GC-MS (TMS_4_154) - 70eV, Positive (MMDBc0054490)
Spectrum Details
| MiMe ID: | MMDBc0054490 |
|---|---|
| Compound Name: | GDP-alpha-D-perosamine |
| Derivative IUPAC Name: | {[(2R,3S,4S,5S,6R)-5-[bis(trimethylsilyl)amino]-4-hydroxy-6-methyl-3-[(trimethylsilyl)oxy]oxan-2-yl]oxy}[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-{6-hydroxy-2-[(trimethylsilyl)imino]-3,9-dihydro-2H-purin-9-yl}oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid |
| Derivative SMILES: | C[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C3NC(=N[Si](C)(C)C)N=C4O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=BHUUVDPZSMPYFV-JPPLYACVSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_154) - 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: | C16H26N6O14P2 |
| Molecular Weight (Monoisotopic Mass): | 588.0982 Da |
| Derivative Type: | TMS_4_154 |
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 | 783 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References