Predicted GC-MS Spectrum - GC-MS (TMS_3_300) - 70eV, Positive (MMDBc0053719)
Spectrum Details
| MiMe ID: | MMDBc0053719 |
|---|---|
| Compound Name: | Streptomycin 6-phosphate |
| Derivative IUPAC Name: | {[(1S,2S,3R,4S,5S,6R)-4-carbamimidamido-3-{[(2R,3R,4R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-5-methyl-4-[(trimethylsilyl)oxy]oxolan-2-yl]oxy}-2,5-dihydroxy-6-[N-(trimethylsilyl)carbamimidamido]cyclohexyl]oxy}[(trimethylsilyl)oxy]phosphinic acid |
| Derivative SMILES: | CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](N(C(=N)N)[Si](C)(C)C)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@@]2(C=O)O[Si](C)(C)C)O[C@@H](CO)[C@H](O)[C@H]1O |
| Derivative InChIKey: | InChIKey=NHMFFPDEOIIXOZ-OVIRQZJWSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_300) - 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: | C21H40N7O15P |
| Molecular Weight (Monoisotopic Mass): | 661.232 Da |
| Derivative Type: | TMS_3_300 |
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 | 779 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References