Predicted GC-MS Spectrum - (8R,9S,10R,13S,14S,17S)-17-Hydroxy-11,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one GC-MS (TMS_1_1) - 70eV, Positive (HMDB0260175)
Spectrum Details
| HMDB ID: | HMDB0260175 |
|---|---|
| Compound Name: | (8R,9S,10R,13S,14S,17S)-17-Hydroxy-11,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC1CC2(C)C(O[Si](C)(C)C)CCC2C2CCC3=CC(=O)CCC3C12 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (8R,9S,10R,13S,14S,17S)-17-Hydroxy-11,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one 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: | C19H28O2 |
| Molecular Weight (Monoisotopic Mass): | 288.2089 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1CC2(C)C(O[Si](C)(C)C)CCC2C2CCC3=CC(=O)CCC3C12)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 750 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available