Predicted GC-MS Spectrum - Estra-1,3,5(10)-triene-3,17-diol, 16-iodo-, (16alpha,17beta)- GC-MS (TMS_1_2) - 70eV, Positive (HMDB0259459)
Spectrum Details
| HMDB ID: | HMDB0259459 |
|---|---|
| Compound Name: | Estra-1,3,5(10)-triene-3,17-diol, 16-iodo-, (16alpha,17beta)- |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC12CCC3C4=CC=C(O)C=C4CCC3C1CC(I)C2O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Estra-1,3,5(10)-triene-3,17-diol, 16-iodo-, (16alpha,17beta)- 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: | C18H23IO2 |
| Molecular Weight (Monoisotopic Mass): | 398.0743 Da |
| Derivative Type: | TMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC12CCC3C4=CC=C(O)C=C4CCC3C1CC(I)C2O[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 749 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available