Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (CDB000100)
Spectrum Details
| CDB ID: | CDB000100 |
|---|---|
| Compound Name: | Friedelin |
| Derivative IUPAC Name: | {[(4aR,6aS,6bS,8aS,12aS,12bS,14aR,14bS)-4,4a,6b,8a,11,11,12b,14a-octamethyl-1,2,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl]oxy}trimethylsilane |
| Derivative SMILES: | CC1=C(O[Si](C)(C)C)CC[C@@H]2[C@@]1(C)CC[C@@H]1[C@]3(C)CC[C@]4(C)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@]12C |
| Derivative InChIKey: | InChIKey=GCXSFKKLRKCUNM-VEUBXRACSA-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: | C33H58OSi |
| Molecular Weight (Monoisotopic Mass): | 498.426 Da |
| Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=C(O[Si](C)(C)C)CC[C@@H]2[C@@]1(C)CC[C@@H]1[C@]3(C)CC[C@]4(C)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@]12C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 760 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available