Predicted GC-MS Spectrum - GC-MS (TMS_3_5) - 70eV, Positive (MMDBc0033216)
Spectrum Details
| MiMe ID: | MMDBc0033216 |
|---|---|
| Compound Name: | Cer 18:0;3/20:0;1 |
| Derivative IUPAC Name: | (9R)-9-hydroxy-N-[(5S,6S,7R)-6-hydroxy-2,2,9,9-tetramethyl-7-tetradecyl-3,8-dioxa-2,9-disiladecan-5-yl]-N-(trimethylsilyl)icosanamide |
| Derivative SMILES: | CCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](CO[Si](C)(C)C)N(C(=O)CCCCCCC[C@H](O)CCCCCCCCCCC)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=CSSFLROVLPWQKM-UXMDPAETSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_5) - 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: | C38H77NO5 |
| Molecular Weight (Monoisotopic Mass): | 627.5802 Da |
| Derivative Type: | TMS_3_5 |
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