Predicted GC-MS Spectrum - S-(PGA2)-glutathione GC-MS (TMS_2_12) - 70eV, Positive (HMDB0013062)
Spectrum Details
| HMDB ID: | HMDB0013062 |
|---|---|
| Compound Name: | S-(PGA2)-glutathione |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCCCCC(O)/C=C/[C@@H]1C(SC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)C=C(O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - S-(PGA2)-glutathione GC-MS (TMS_2_12) - 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: | C30H47N3O10S |
| Molecular Weight (Monoisotopic Mass): | 641.2982 Da |
| Derivative Type: | TMS_2_12 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC(O)/C=C/[C@@H]1C(SC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)C=C(O[Si](C)(C)C)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available