Predicted GC-MS Spectrum - GC-MS (TMS_3_10) - 70eV, Positive (MMDBc0033064)
Spectrum Details
| MiMe ID: | MMDBc0033064 |
|---|---|
| Compound Name: | N-(24-Hydroxytetracosanoyl)phytosphingosine |
| Derivative IUPAC Name: | N-[(2S,3S,4R)-3,4-dihydroxy-1-[(trimethylsilyl)oxy]octadecan-2-yl]-N-(trimethylsilyl)-24-[(trimethylsilyl)oxy]tetracosanamide |
| Derivative SMILES: | CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[Si](C)(C)C)N(C(=O)CCCCCCCCCCCCCCCCCCCCCCCO[Si](C)(C)C)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=BVAZPJZGKHXXCJ-CYNDXWADSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_10) - 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: | C42H85NO5 |
| Molecular Weight (Monoisotopic Mass): | 683.6428 Da |
| Derivative Type: | TMS_3_10 |
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 | 781 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References