Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive (FDB022033)
Spectrum Details
| FooDB ID: | FDB022033 |
|---|---|
| Compound Name: | 18-Hydroxycortisol |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]12 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 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: | C21H30O6 |
| Molecular Weight (Monoisotopic Mass): | 378.2042 Da |
| Derivative Type: | TMS_2_6 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]12)
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 | 4.67 KB |
References
Not Available