Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive (MMDBc0015159)
Spectrum Details
| MiMe ID: | MMDBc0015159 |
|---|---|
| Compound Name: | Phomenolactone |
| Derivative IUPAC Name: | 6-[(1E,5E,9E,13E,15Z)-4,8,16-trihydroxy-11,13-dimethyl-15-(2,4,6-trimethyloctylidene)-12-[(trimethylsilyl)oxy]hexadeca-1,5,9,13-tetraen-1-yl]-4-[(trimethylsilyl)oxy]oxan-2-one |
| Derivative SMILES: | CCC(C)CC(C)CC(C)/C=C(/C=C(\C)C(O[Si](C)(C)C)C(C)/C=C/C(O)C/C=C/C(O)C/C=C/C1CC(O[Si](C)(C)C)CC(=O)O1)CO |
| Derivative InChIKey: | InChIKey=LOOYRBOOTNNXKY-JZBXZFLTNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_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: | C34H56O7 |
| Molecular Weight (Monoisotopic Mass): | 576.4026 Da |
| Derivative Type: | TMS_2_6 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References