Predicted GC-MS Spectrum - GC-MS (TMS_4_9) - 70eV, Positive (MMDBc0030082)
Spectrum Details
| MiMe ID: | MMDBc0030082 |
|---|---|
| Compound Name: | N-Acetylmuramic acid 6-phosphate |
| Derivative IUPAC Name: | (2R)-2-{[(2R,3S,4R,5R)-2-[({bis[(trimethylsilyl)oxy]phosphoryl}oxy)methyl]-3-hydroxy-6-[(trimethylsilyl)oxy]-5-({1-[(trimethylsilyl)oxy]ethylidene}amino)oxan-4-yl]oxy}propanoic acid |
| Derivative SMILES: | CC(=N[C@H]1C(O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=O)O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=HKZVZZSOJUOLSW-LQLKRTFBSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_9) - 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: | C11H20NO11P |
| Molecular Weight (Monoisotopic Mass): | 373.0774 Da |
| Derivative Type: | TMS_4_9 |
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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References