Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (CDB000221)
Spectrum Details
| CDB ID: | CDB000221 |
|---|---|
| Compound Name: | Friedelanol |
| Derivative IUPAC Name: | {[(3R,4R,4aS,6aR,6bS,8aS,12aR,12bS,14aS,14bS)-4,4a,6b,8a,11,11,12b,14a-octamethyl-docosahydropicen-3-yl]oxy}trimethylsilane |
| Derivative SMILES: | C[C@H]1[C@H](O[Si](C)(C)C)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@@]3(C)CC[C@@]12C |
| Derivative InChIKey: | InChIKey=FQVCTRAGSQILPO-ILMBDCNFSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 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: | C33H60OSi |
| Molecular Weight (Monoisotopic Mass): | 500.441 Da |
| Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@H]1[C@H](O[Si](C)(C)C)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@@]3(C)CC[C@@]12C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available