Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0010580)
Spectrum Details
| MiMe ID: | MMDBc0010580 |
|---|---|
| Compound Name: | Shikometabolin C |
| Derivative IUPAC Name: | (7R,7aS,13aR)-5,12-dihydroxy-7a-(4-methylpenta-1,3-dien-1-yl)-7-(2-methylprop-1-en-1-yl)-9,14-bis[(trimethylsilyl)oxy]-1,4,6,7,7a,8,13,13a-octahydropentaphene-1,4,8,13-tetrone |
| Derivative SMILES: | CC(C)=CC=C[C@@]12C(=O)C3=C(O[Si](C)(C)C)C=CC(O)=C3C(=O)[C@@H]1C1=C(C[C@@H]2C=C(C)C)C(O)=C2C(=O)C=CC(=O)C2=C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=FBAZXUPILBSXSI-UWOUEDQTSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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: | C32H28O8 |
| Molecular Weight (Monoisotopic Mass): | 540.1784 Da |
| Derivative Type: | TMS_2_2 |
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