Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0031622)
Spectrum Details
| MiMe ID: | MMDBc0031622 |
|---|---|
| Compound Name: | N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramic acid |
| Derivative IUPAC Name: | 2-[(2-{[(2S,3R,4R,5S,6R)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-5-[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl]oxy}-4-[(1-hydroxyethylidene)amino]-6,8-dioxabicyclo[3.2.1]octan-3-yl)oxy]propanoic acid |
| Derivative SMILES: | CC(O)=NC1C2OCC(O2)C(O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)C1OC(C)C(=O)O |
| Derivative InChIKey: | InChIKey=FYZKJCJVFABJBK-ZEMAEXJBSA-N |
| 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: | C19H30N2O12 |
| Molecular Weight (Monoisotopic Mass): | 478.1799 Da |
| Derivative Type: | TMS_2_2 |
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 | 4.63 KB |
References