Predicted GC-MS Spectrum - GC-MS (TMS_5_37) - 70eV, Positive (MMDBc0053718)
Spectrum Details
| MiMe ID: | MMDBc0053718 |
|---|---|
| Compound Name: | Streptidine 6-phosphate |
| Derivative IUPAC Name: | {[(1S,2R,3S,4S,5R,6S)-4-[N',N'-bis(trimethylsilyl)carbamimidamido]-2-carbamimidamido-3-hydroxy-5,6-bis[(trimethylsilyl)oxy]cyclohexyl]oxy}[(trimethylsilyl)oxy]phosphinic acid |
| Derivative SMILES: | C[Si](C)(C)O[C@@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H](NC(=N)N)[C@@H](O)[C@H](NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=XIVXKMKTYWLICD-JRBOJVLQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_5_37) - 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: | C8H19N6O7P |
| Molecular Weight (Monoisotopic Mass): | 342.1053 Da |
| Derivative Type: | TMS_5_37 |
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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References