Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive (MMDBc0024719)
Spectrum Details
| MiMe ID: | MMDBc0024719 |
|---|---|
| Compound Name: | Alpha-galactosylceramide |
| Derivative IUPAC Name: | trimethylsilyl (3R)-N-[(2S,3R)-1-{[(2R,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(trimethylsilyl)oxy]oxan-2-yl]oxy}-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxy-15-methylhexadecanimidate |
| Derivative SMILES: | CC(C)CCCCCCCCCCC[C@@H](O)CC(=N[C@@H](CO[C@@H]1OC(CO)[C@H](O)C(O[Si](C)(C)C)C1O)[C@H](O)CCCCCCCCCCCC(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=WHSJQMPPSFLIDP-OMWJBKRKSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 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: | C40H79NO9 |
| Molecular Weight (Monoisotopic Mass): | 717.5755 Da |
| Derivative Type: | TMS_2_9 |
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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References