Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0033219)
Spectrum Details
| MiMe ID: | MMDBc0033219 |
|---|---|
| Compound Name: | Cer 18:0;3/24:0;1 |
| Derivative IUPAC Name: | (9R)-N-[(2S,3S,4R)-3,4-dihydroxy-1-[(trimethylsilyl)oxy]octadecan-2-yl]-9-hydroxytetracosanamide |
| Derivative SMILES: | CCCCCCCCCCCCCCC[C@@H](O)CCCCCCCC(=O)N[C@@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
| Derivative InChIKey: | InChIKey=GIONLPVTESKUFZ-XVIWJMAPSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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_1_2 |
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 | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References