Predicted GC-MS Spectrum - (8S,9R,10S,11R,13S,14S,17S)-9-Fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one GC-MS (TMS_1_5) - 70eV, Positive (HMDB0260182)
Spectrum Details
| HMDB ID: | HMDB0260182 |
|---|---|
| Compound Name: | (8S,9R,10S,11R,13S,14S,17S)-9-Fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=CO)O[Si](C)(C)C)C3(C)CC(O)C12F |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (8S,9R,10S,11R,13S,14S,17S)-9-Fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one GC-MS (TMS_1_5) - 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: | C21H29FO5 |
| Molecular Weight (Monoisotopic Mass): | 380.1999 Da |
| Derivative Type: | TMS_1_5 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=CO)O[Si](C)(C)C)C3(C)CC(O)C12F)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available