Predicted GC-MS Spectrum - GC-MS (TMS_4_16) - 70eV, Positive (MMDBc0049949)
Spectrum Details
| MiMe ID: | MMDBc0049949 |
|---|---|
| Compound Name: | 6-phosphonato-5-dehydro-2-deoxy-D-gluconate(3-) |
| Derivative IUPAC Name: | trimethylsilyl (3R,4S)-6-({bis[(trimethylsilyl)oxy]phosphoryl}oxy)-3,4-dihydroxy-5-[(trimethylsilyl)oxy]hex-5-enoate |
| Derivative SMILES: | C[Si](C)(C)OC(=O)C[C@@H](O)[C@H](O)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=MISUDDQZUNBZPP-QAPCUYQASA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_16) - 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: | C6H11O9P |
| Molecular Weight (Monoisotopic Mass): | 258.0141 Da |
| Derivative Type: | TMS_4_16 |
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 | 758 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References