Predicted GC-MS Spectrum - [(3S,8R,9S,10R,13S,14S)-16-Hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate GC-MS (TBDMS_1_3) - 70eV, Positive (HMDB0257762)
Spectrum Details
| HMDB ID: | HMDB0257762 |
|---|---|
| Compound Name: | [(3S,8R,9S,10R,13S,14S)-16-Hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC12CCC(OS(=O)(=O)O)CC1=CCC1C2CCC2(C)C(O[Si](C)(C)C(C)(C)C)=C(O)CC12 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - [(3S,8R,9S,10R,13S,14S)-16-Hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate GC-MS (TBDMS_1_3) - 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: | C19H28O6S |
| Molecular Weight (Monoisotopic Mass): | 384.1607 Da |
| Derivative Type: | TBDMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC12CCC(OS(=O)(=O)O)CC1=CCC1C2CCC2(C)C(O[Si](C)(C)C(C)(C)C)=C(O)CC12)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 756 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available