Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0054731)
Spectrum Details
| MiMe ID: | MMDBc0054731 |
|---|---|
| Compound Name: | (+)-(2S,3R,9R)-pristinol |
| Derivative IUPAC Name: | {[(1R,6R,9aS)-1,4,8,8-tetramethyl-1H,2H,3H,5H,6H,7H,8H,9H,9aH-cyclopenta[8]annulen-6-yl]oxy}trimethylsilane |
| Derivative SMILES: | C/C1=C2\CC[C@@H](C)[C@@H]2CC(C)(C)C[C@@H](O[Si](C)(C)C)C1 |
| Derivative InChIKey: | InChIKey=ARBTYLMJSKGSOU-XMCJWOFASA-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: | C15H26O |
| Molecular Weight (Monoisotopic Mass): | 222.1984 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 | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References