Predicted GC-MS Spectrum - Pregn-4-ene-3,20-dione, 11,17,18,21-tetrahydroxy-, (11beta)- GC-MS (TMS_2_3) - 70eV, Positive (HMDB0259664)
Spectrum Details
| HMDB ID: | HMDB0259664 |
|---|---|
| Compound Name: | Pregn-4-ene-3,20-dione, 11,17,18,21-tetrahydroxy-, (11beta)- |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC12CCC(=O)C=C1CCC1C2C(O)CC23COC(O)(CO[Si](C)(C)C)C2(O[Si](C)(C)C)CCC13 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Pregn-4-ene-3,20-dione, 11,17,18,21-tetrahydroxy-, (11beta)- GC-MS (TMS_2_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: | C21H30O6 |
| Molecular Weight (Monoisotopic Mass): | 378.2042 Da |
| Derivative Type: | TMS_2_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC12CCC(=O)C=C1CCC1C2C(O)CC23COC(O)(CO[Si](C)(C)C)C2(O[Si](C)(C)C)CCC13)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 757 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available