Predicted GC-MS Spectrum - GC-MS (TMS_3_32) - 70eV, Positive (MMDBc0031950)
Spectrum Details
| MiMe ID: | MMDBc0031950 |
|---|---|
| Compound Name: | dTDP-4-acetamido-4,6-dideoxy-alpha-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]methyl trimethylsilyl [({[(2R,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-[N-(trimethylsilyl)acetamido]oxan-2-yl]oxy}[(trimethylsilyl)oxy]phosphoryl)oxy]phosphonate |
| Derivative SMILES: | CC(=O)N([C@@H]1[C@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)NC3=O)C[C@@H]2O)O[Si](C)(C)C)O[C@@H]1C)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=RIMNAYUCOBOAMY-SXQHZABFSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_32) - 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: | C18H29N3O15P2 |
| Molecular Weight (Monoisotopic Mass): | 589.1074 Da |
| Derivative Type: | TMS_3_32 |
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 | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References