Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0009393)
Spectrum Details
| MiMe ID: | MMDBc0009393 |
|---|---|
| Compound Name: | Fusaproliferin |
| Derivative IUPAC Name: | 2-{3a,6,10,14-tetramethyl-3-oxo-2,13-bis[(trimethylsilyl)oxy]-3H,3aH,4H,7H,8H,11H,12H,13H,16H,16aH-cyclopenta[15]annulen-1-yl}propyl acetate |
| Derivative SMILES: | CC(=O)OCC(C)C1=C(O[Si](C)(C)C)C(=O)C2(C)C/C=C(/C)CC/C=C(\C)CCC(O[Si](C)(C)C)/C(C)=C\CC12 |
| Derivative InChIKey: | InChIKey=QIHMJSJGWQCPON-POUFKLNMNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 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: | C27H40O5 |
| Molecular Weight (Monoisotopic Mass): | 444.2876 Da |
| Derivative Type: | TMS_2_1 |
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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References