Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive (MMDBc0033215)
Spectrum Details
MiMe ID: | MMDBc0033215 |
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Compound Name: | Cer 18:0;3/18:0;1 |
Derivative IUPAC Name: | (9R)-N-[(2S,3S,4R)-1,4-dihydroxy-3-[(trimethylsilyl)oxy]octadecan-2-yl]-9-[(trimethylsilyl)oxy]octadecanamide |
Derivative SMILES: | CCCCCCCCCCCCCC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](CO)NC(=O)CCCCCCC[C@@H](CCCCCCCCC)O[Si](C)(C)C |
Derivative InChIKey: | InChIKey=SYIXUUAXAFLWPG-HVGKCTQHSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 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 |
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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: | C36H73NO5 |
Molecular Weight (Monoisotopic Mass): | 599.5489 Da |
Derivative Type: | TMS_2_6 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document Description | Download | File Size |
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Generated list of m/z values for the spectrum (TSV) | Download file | 779 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References