Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive (T3D4284)
Spectrum Details
| T3DB ID: | T3D4284 |
|---|---|
| Compound Name: | 18-Hydroxycorticosterone |
| Derivative IUPAC Name: | (1S,3aS,3bS,9aR,9bS,10S,11aR)-10-hydroxy-11a-(hydroxymethyl)-9a-methyl-1-(2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoct-4-en-4-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one |
| Derivative SMILES: | C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(CO)[C@@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@@H]12 |
| Derivative InChIKey: | InChIKey=HAELGFVDGOYUEJ-LQXIDZSYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 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: | C21H30O5 |
| Molecular Weight (Monoisotopic Mass): | 362.2093 Da |
| Derivative Type: | TMS_2_5 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(CO)[C@@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@@H]12)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 758 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available