Predicted GC-MS Spectrum - GC-MS (TMS_3_54) - 70eV, Positive (MMDBc0054494)
Spectrum Details
| MiMe ID: | MMDBc0054494 |
|---|---|
| Compound Name: | gentamicin C1a |
| Derivative IUPAC Name: | (2R,3R,4R,5R)-2-{[(1S,2S,3R,4S,6R)-3-{[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxy-4,6-bis[(trimethylsilyl)amino]cyclohexyl]oxy}-5-methyl-4-(methylamino)-5-[(trimethylsilyl)oxy]oxan-3-ol |
| Derivative SMILES: | CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N[Si](C)(C)C)C[C@H]2N[Si](C)(C)C)OC[C@]1(C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=FSFDBTQJGUIGTB-QNJKBDIOSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_54) - 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: | C19H39N5O7 |
| Molecular Weight (Monoisotopic Mass): | 449.2849 Da |
| Derivative Type: | TMS_3_54 |
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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References