Predicted GC-MS Spectrum - GC-MS (TMS_6_4) - 70eV, Positive (MMDBc0031943)
Spectrum Details
| MiMe ID: | MMDBc0031943 |
|---|---|
| Compound Name: | Phospholipid olefinic fatty acid |
| Derivative IUPAC Name: | (1R,2R,3S,4R,5R,6S)-2-[bis(trimethylsilyl)amino]-3,4,5,6-tetrakis[(trimethylsilyl)oxy]cyclohexan-1-ol |
| Derivative SMILES: | C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=WJLPQBNTHUCBOY-GDHSQPOBSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_6_4) - 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: | C6H13NO5 |
| Molecular Weight (Monoisotopic Mass): | 179.0794 Da |
| Derivative Type: | TMS_6_4 |
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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References