Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0001283)
Spectrum Details
| MiMe ID: | MMDBc0001283 |
|---|---|
| Compound Name: | Ct 6 A |
| Derivative IUPAC Name: | (4S)-2-({9-[(2R,3R,4S,5R)-3-hydroxy-4-[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}oxolan-2-yl]-9H-purin-6-yl}amino)-4-[(1R)-1-[(trimethylsilyl)oxy]ethyl]-4,5-dihydro-1,3-oxazol-5-one |
| Derivative SMILES: | C[C@@H](O[Si](C)(C)C)[C@@H]1N=C(NC2=NC=NC3=C2N=CN3[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)OC1=O |
| Derivative InChIKey: | InChIKey=VWLDIEAIOQTWFW-KSSRIFPZSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C15H18N6O7 |
| Molecular Weight (Monoisotopic Mass): | 394.1237 Da |
| Derivative Type: | TMS_3_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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References