Predicted GC-MS Spectrum - (8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-Hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol GC-MS (TBDMS_1_1) - 70eV, Positive (HMDB0260187)
Spectrum Details
| HMDB ID: | HMDB0260187 |
|---|---|
| Compound Name: | (8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-Hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)C(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)O[Si](C)(C)C(C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-Hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol GC-MS (TBDMS_1_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: | C27H46O2 |
| Molecular Weight (Monoisotopic Mass): | 402.3498 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)C(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)O[Si](C)(C)C(C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 751 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available