Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (PHUB000476)
Spectrum Details
| PHUB ID: | PHUB000476 |
|---|---|
| Compound Name: | Ergosterol |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)[C@@H](C)/C=C/[C@@H](C)C1CCC2C3=CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)C3CC[C@@]21C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive |
| Splash Key: | splash10-0udl-2003900000-c84feed3f7fbf11526ce |
| 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: | C31H52OSi |
| Molecular Weight (Monoisotopic Mass): | 468.379 Da |
| Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI,
Ionization energy 70 eV fully TMS-derivatized (structure: CC(C)[C@@H](C)/C=C/[C@@H](C)C1CCC2C3=CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)C3CC[C@@]21C)
Documentation
Not Available
References
Not Available