Predicted GC-MS Spectrum - (8S,9R,11S,13S,14S,17S)-13-Methyl-11-[4-[5-(4,4,5,5,5-pentafluoropentylsulfonyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol GC-MS (TMS_2_1) - 70eV, Positive (HMDB0260184)
Spectrum Details
| HMDB ID: | HMDB0260184 |
|---|---|
| Compound Name: | (8S,9R,11S,13S,14S,17S)-13-Methyl-11-[4-[5-(4,4,5,5,5-pentafluoropentylsulfonyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC12CC(C3=CC=C(OCCCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F)C=C3)C3C4=CC=C(O[Si](C)(C)C)C=C4CCC3C1CCC2O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (8S,9R,11S,13S,14S,17S)-13-Methyl-11-[4-[5-(4,4,5,5,5-pentafluoropentylsulfonyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol GC-MS (TMS_2_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: | C34H43F5O5S |
| Molecular Weight (Monoisotopic Mass): | 658.2751 Da |
| Derivative Type: | TMS_2_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC12CC(C3=CC=C(OCCCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F)C=C3)C3C4=CC=C(O[Si](C)(C)C)C=C4CCC3C1CCC2O[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 761 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available