Predicted GC-MS Spectrum - GC-MS (TMS_2_56) - 70eV, Positive (MMDBc0028324)
Spectrum Details
| MiMe ID: | MMDBc0028324 |
|---|---|
| Compound Name: | Kanamycin A |
| Derivative IUPAC Name: | (2R,3R,4S,5S,6R)-2-{[(1R,2R,3S,4R,6S)-4-amino-3-{[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-[bis(trimethylsilyl)amino]-2-hydroxycyclohexyl]oxy}-6-(aminomethyl)oxane-3,4,5-triol |
| Derivative SMILES: | C[Si](C)(C)N([C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=LDDXYEMVUIQPCK-OSMKSXLKSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_56) - 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_2_56 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)N([C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 753 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available