Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0054343)
Spectrum Details
| MiMe ID: | MMDBc0054343 |
|---|---|
| Compound Name: | alpha-ribazole |
| Derivative IUPAC Name: | (2R,3R,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-2-(hydroxymethyl)-4-[(trimethylsilyl)oxy]oxolan-3-ol |
| Derivative SMILES: | CC1=CC2=C(C=C1C)N([C@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)C=N2 |
| Derivative InChIKey: | InChIKey=LKOINLAAKUOFCN-VQHPVUNQSA-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: | C14H18N2O4 |
| Molecular Weight (Monoisotopic Mass): | 278.1267 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 | 767 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References