Predicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_1_8) - 70eV, Positive (HMDB0013056)
Spectrum Details
| HMDB ID: | HMDB0013056 |
|---|---|
| Compound Name: | S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione GC-MS (TMS_1_8) - 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: | C30H49N3O10S |
| Molecular Weight (Monoisotopic Mass): | 643.3139 Da |
| Derivative Type: | TMS_1_8 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCC[C@H](O)C/C=C1/C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)[C@H]1C/C=C\CCCC(=O)O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 755 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available