Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0013980)
Spectrum Details
| MiMe ID: | MMDBc0013980 |
|---|---|
| Compound Name: | Lysodektose |
| Derivative IUPAC Name: | 2-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(trimethylsilyl)oxy]oxan-2-yl]oxy}-6-[({5-hydroxy-3-[hydroxy(methyl)amino]-6-(hydroxymethyl)-4-[(trimethylsilyl)oxy]oxan-2-yl}oxy)methyl]oxane-3,4,5-triol |
| Derivative SMILES: | CN(O)C1C(OCC2OC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=YABASLPZBUJGKW-UHFFFAOYNA-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: | C19H35NO16 |
| Molecular Weight (Monoisotopic Mass): | 533.1956 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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References