Predicted GC-MS Spectrum - 5,9,11-trihydroxyprosta-6E,14Z-dien-1-oate GC-MS (TBDMS_2_6) - 70eV, Positive (HMDB0062413)
Spectrum Details
| HMDB ID: | HMDB0062413 |
|---|---|
| Compound Name: | 5,9,11-trihydroxyprosta-6E,14Z-dien-1-oate |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(=O)O[C@@]12[C@H](OC(=O)C3=CC=CC=C3N(C)[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@]3(O[Si](C)(C)C(C)(C)C)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 5,9,11-trihydroxyprosta-6E,14Z-dien-1-oate GC-MS (TBDMS_2_6) - 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: | C30H37NO8 |
| Molecular Weight (Monoisotopic Mass): | 539.2519 Da |
| Derivative Type: | TBDMS_2_6 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)O[C@@]12[C@H](OC(=O)C3=CC=CC=C3N(C)[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@]3(O[Si](C)(C)C(C)(C)C)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C)
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