Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0023929)
Spectrum Details
| MiMe ID: | MMDBc0023929 |
|---|---|
| Compound Name: | (3S,7R)-1,4-epi-3,7-dihydroxyacoren-10-one |
| Derivative IUPAC Name: | (1S,2S,4R,5S,9R)-2-hydroxy-1,8-dimethyl-4-(propan-2-yl)-9-[(trimethylsilyl)oxy]spiro[4.5]dec-7-en-6-one |
| Derivative SMILES: | CC1=CC(=O)[C@]2(C[C@H]1O[Si](C)(C)C)[C@H](C)[C@@H](O)C[C@@H]2C(C)C |
| Derivative InChIKey: | InChIKey=RLAANKPJNYPKCY-XLKGFZLASA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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: | C15H24O3 |
| Molecular Weight (Monoisotopic Mass): | 252.1725 Da |
| Derivative Type: | TMS_1_2 |
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 | 781 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References