Predicted GC-MS Spectrum - GC-MS (TMS_4_147) - 70eV, Positive (MMDBc0028324)
Spectrum Details
| MiMe ID: | MMDBc0028324 |
|---|---|
| Compound Name: | Kanamycin A |
| Derivative IUPAC Name: | (2R,3R,4S,5S,6R)-2-{[(1R,2S,3S,4R,6S)-6-amino-3-{[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl]oxy}-4-[bis(trimethylsilyl)amino]-2-hydroxycyclohexyl]oxy}-6-{[(trimethylsilyl)amino]methyl}oxane-3,4,5-triol |
| Derivative SMILES: | C[Si](C)(C)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
| Derivative InChIKey: | InChIKey=WOSIDMCSXXNLHP-RKURPMHMSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_147) - 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: | C18H36N4O11 |
| Molecular Weight (Monoisotopic Mass): | 484.2381 Da |
| Derivative Type: | TMS_4_147 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 750 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available