Predicted GC-MS Spectrum - GC-MS (TMS_3_16) - 70eV, Positive (MMDBc0054469)
Spectrum Details
| MiMe ID: | MMDBc0054469 |
|---|---|
| Compound Name: | dTDP-alpha-D-fucose |
| Derivative IUPAC Name: | {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(4-hydroxy-5-methyl-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}({[(2R,3R,4S,5S,6R)-6-methyl-3,4,5-tris[(trimethylsilyl)oxy]oxan-2-yl]oxy})phosphinic acid |
| Derivative SMILES: | CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)N=C1O |
| Derivative InChIKey: | InChIKey=ARQVCOKQHTZVKW-DMCDVIRUSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_16) - 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: | C16H26N2O15P2 |
| Molecular Weight (Monoisotopic Mass): | 548.0808 Da |
| Derivative Type: | TMS_3_16 |
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 | 778 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References