Predicted GC-MS Spectrum - GC-MS (TMS_1_7) - 70eV, Positive (MMDBc0029847)
Spectrum Details
| MiMe ID: | MMDBc0029847 |
|---|---|
| Compound Name: | dTDP-D-Galactose |
| Derivative IUPAC Name: | {[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}[({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}[(trimethylsilyl)oxy]phosphoryl)oxy]phosphinic acid |
| Derivative SMILES: | CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O |
| Derivative InChIKey: | InChIKey=PGTNBVGWEJHUQH-YROMYEKSSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_7) - 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: | C16H26N2O16P2 |
| Molecular Weight (Monoisotopic Mass): | 564.0758 Da |
| Derivative Type: | TMS_1_7 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 751 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available