Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0048846)
Spectrum Details
| MiMe ID: | MMDBc0048846 |
|---|---|
| Compound Name: | Testosterone |
| Derivative IUPAC Name: | (1S,3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-7-[(trimethylsilyl)oxy]-1H,2H,3H,3aH,3bH,4H,5H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol |
| Derivative SMILES: | C[C@]12CC[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O |
| Derivative InChIKey: | InChIKey=JJORZJBJHSNDCP-WLNPFYQQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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: | C19H28O2 |
| Molecular Weight (Monoisotopic Mass): | 288.2089 Da |
| Derivative Type: | TMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@]12CC[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available