Predicted GC-MS Spectrum - GC-MS (TMS_4_34) - 70eV, Positive (MMDBc0054059)
Spectrum Details
| MiMe ID: | MMDBc0054059 |
|---|---|
| Compound Name: | (2S)-lactyl-2-diphospho-5'-guanosine |
| Derivative IUPAC Name: | (2S)-2-({[({[(2R,3S,4R,5R)-5-[2-amino-6-oxo-1-(trimethylsilyl)-6,9-dihydro-1H-purin-9-yl]-4-hydroxy-3-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}[(trimethylsilyl)oxy]phosphoryl)oxy][(trimethylsilyl)oxy]phosphoryl}oxy)propanoic acid |
| Derivative SMILES: | C[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O |
| Derivative InChIKey: | InChIKey=SSKOACYUNYSXLA-DFOBYOPISA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_34) - 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: | C13H19N5O13P2 |
| Molecular Weight (Monoisotopic Mass): | 515.0455 Da |
| Derivative Type: | TMS_4_34 |
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 | 781 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References