Predicted GC-MS Spectrum - GC-MS (TMS_5_34) - 70eV, Positive (MMDBc0054276)
Spectrum Details
| MiMe ID: | MMDBc0054276 |
|---|---|
| Compound Name: | 4-O-beta-D-mannopyranosyl-N-acetyl-D-glucosamine |
| Derivative IUPAC Name: | N-[(3R,4R,5R,6R)-5-{[(2S,3S,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[(trimethylsilyl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)-2,4-bis[(trimethylsilyl)oxy]oxan-3-yl]-N-(trimethylsilyl)acetamide |
| Derivative SMILES: | CC(=O)N([C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=CWTRQXIWWSSDKP-LRBHJHLESA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_5_34) - 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: | C14H25NO11 |
| Molecular Weight (Monoisotopic Mass): | 383.1428 Da |
| Derivative Type: | TMS_5_34 |
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 | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References