Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (CHEM040977)
Spectrum Details
| chemdb ID: | CHEM040977 |
|---|---|
| Compound Name: | 2-Hydroxyestrone-4-S-glutathione |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 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: | C28H37N3O9S |
| Molecular Weight (Monoisotopic Mass): | 591.2251 Da |
| Molecular Weight (Avergae Mass): | 591.673 Da |
| Derivative Type: | TMS_2_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@]12CCC3C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(SC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)=C4CCC3C1CCC2=O)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum | Download file |
| mzML formatted file | Download file |
References
Not Available