Predicted GC-MS Spectrum - (8R,9S,10R,13S,14S,17S)-2,2,17-Trihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one GC-MS (TBDMS_1_1) - 70eV, Positive (HMDB0257961)
Spectrum Details
| HMDB ID: | HMDB0257961 |
|---|---|
| Compound Name: | (8R,9S,10R,13S,14S,17S)-2,2,17-Trihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC12CC(O)(O[Si](C)(C)C(C)(C)C)C(=O)C=C1CCC1C2CCC2(C)C(O)CCC12 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (8R,9S,10R,13S,14S,17S)-2,2,17-Trihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one GC-MS (TBDMS_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: | C19H28O4 |
| Molecular Weight (Monoisotopic Mass): | 320.1988 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC12CC(O)(O[Si](C)(C)C(C)(C)C)C(=O)C=C1CCC1C2CCC2(C)C(O)CCC12)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 753 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available