Predicted GC-MS Spectrum - GC-MS (TMS_3_6) - 70eV, Positive (MMDBc0054466)
Spectrum Details
| MiMe ID: | MMDBc0054466 |
|---|---|
| Compound Name: | dTDP-4-amino-4,6-dideoxy-alpha-D-glucose |
| Derivative IUPAC Name: | {[(2R,3R,4S,5S,6R)-5-amino-4-hydroxy-6-methyl-3-[(trimethylsilyl)oxy]oxan-2-yl]oxy}({[hydroxy({[(2R,3S,5R)-5-{5-methyl-2-oxo-4-[(trimethylsilyl)oxy]-1,2-dihydropyrimidin-1-yl}-3-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy})phosphoryl]oxy})phosphinic acid |
| Derivative SMILES: | CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)[C@@H](N)[C@H](O)[C@H]3O[Si](C)(C)C)O2)C(=O)N=C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=QMYMGMPDSFNPJM-PEOPWNNQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_6) - 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: | C16H27N3O14P2 |
| Molecular Weight (Monoisotopic Mass): | 547.0968 Da |
| Derivative Type: | TMS_3_6 |
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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References