Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0030164)
Spectrum Details
| MiMe ID: | MMDBc0030164 |
|---|---|
| Compound Name: | 1,6-Anhydro-N-acetylmuramate |
| Derivative IUPAC Name: | N-[(1R,2S,3R,4R)-2-hydroxy-3-({1-oxo-1-[(trimethylsilyl)oxy]propan-2-yl}oxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanimidic acid |
| Derivative SMILES: | CC(O)=N[C@H]1C2OC[C@@H](O2)[C@@H](O)[C@@H]1OC(C)C(=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=FWKBMNGXXUUAJZ-BXISSAJDSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C11H17NO7 |
| Molecular Weight (Monoisotopic Mass): | 275.1005 Da |
| Derivative Type: | TMS_1_3 |
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 | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References