Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (FDB029289)
Spectrum Details
| FooDB ID: | FDB029289 |
|---|---|
| Compound Name: | UDP-N-acetyl-D-mannosamine |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(=O)N[C@H]1C(OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](N3C=CC(=O)[NH]C3=O)[C@@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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: | C17H27N3O17P2 |
| Molecular Weight (Monoisotopic Mass): | 607.0816 Da |
| Derivative Type: | TMS_2_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)N[C@H]1C(OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](N3C=CC(=O)[NH]C3=O)[C@@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available