Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0054765)
Spectrum Details
| MiMe ID: | MMDBc0054765 |
|---|---|
| Compound Name: | (17Z)-protosta-17(20),24-dien-3beta-ol |
| Derivative IUPAC Name: | {[(1Z,3aS,3bS,5aR,7S,9aR,9bS,11aS)-3a,3b,6,6,9a-pentamethyl-1-(6-methylhept-5-en-2-ylidene)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}trimethylsilane |
| Derivative SMILES: | CC(C)=CCC/C(C)=C1/CC[C@@]2(C)[C@H]1CC[C@@H]1[C@]2(C)CC[C@H]2C(C)(C)[C@@H](O[Si](C)(C)C)CC[C@]12C |
| Derivative InChIKey: | InChIKey=IWQVSJXYAODHTE-YXARXTFNSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 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: | C30H50O |
| Molecular Weight (Monoisotopic Mass): | 426.3862 Da |
| Derivative Type: | TMS_1_1 |
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 | 779 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References