Predicted GC-MS Spectrum - (2S,3S,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-2-(2,2-dimethylmorpholino)-3-hydroxy-10,13-dimethylhexadecahydro-11H-cyclopenta[a]phenanthren-11-one GC-MS (TMS_1_3) - 70eV, Positive (HMDB0260132)
Spectrum Details
| HMDB ID: | HMDB0260132 |
|---|---|
| Compound Name: | (2S,3S,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-2-(2,2-dimethylmorpholino)-3-hydroxy-10,13-dimethylhexadecahydro-11H-cyclopenta[a]phenanthren-11-one |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(=O)C1CCC2C3CCC4CC(O)C(N5CCOC(C)(C)C5)CC4(C)C3=C(O[Si](C)(C)C)CC12C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (2S,3S,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-2-(2,2-dimethylmorpholino)-3-hydroxy-10,13-dimethylhexadecahydro-11H-cyclopenta[a]phenanthren-11-one GC-MS (TMS_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: | C27H43NO4 |
| Molecular Weight (Monoisotopic Mass): | 445.3192 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)C1CCC2C3CCC4CC(O)C(N5CCOC(C)(C)C5)CC4(C)C3=C(O[Si](C)(C)C)CC12C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 760 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available