Predicted GC-MS Spectrum - (8R,9R,10S,13S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-1,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one GC-MS (TMS_3_3) - 70eV, Positive (HMDB0260171)
Spectrum Details
| HMDB ID: | HMDB0260171 |
|---|---|
| Compound Name: | (8R,9R,10S,13S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-1,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC1=CC(=O)C=C2CCC3C(C(O)CC4(C)C3CCC4(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C)C12C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (8R,9R,10S,13S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-1,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one GC-MS (TMS_3_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: | C22H30O5 |
| Molecular Weight (Monoisotopic Mass): | 374.2093 Da |
| Derivative Type: | TMS_3_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CC(=O)C=C2CCC3C(C(O)CC4(C)C3CCC4(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C)C12C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 759 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available