Predicted GC-MS Spectrum - GC-MS (TMS_3_4) - 70eV, Positive (MMDBc0054686)
Spectrum Details
| MiMe ID: | MMDBc0054686 |
|---|---|
| Compound Name: | UDP-2-acetamido-2,6-dideoxy-beta-L-arabino-hex-4-ulose |
| Derivative IUPAC Name: | [({[(2R,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-bis[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,6S)-3-acetamido-4-hydroxy-6-methyl-5-[(trimethylsilyl)oxy]-3,6-dihydro-2H-pyran-2-yl]oxy})phosphinic acid |
| Derivative SMILES: | CC(=O)N[C@@H]1C(O)=C(O[Si](C)(C)C)[C@H](C)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=MXPWXAFOTVIIER-YTLGEKBCSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_4) - 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: | C17H25N3O16P2 |
| Molecular Weight (Monoisotopic Mass): | 589.071 Da |
| Derivative Type: | TMS_3_4 |
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