Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0012274)
Spectrum Details
| MiMe ID: | MMDBc0012274 |
|---|---|
| Compound Name: | 4,8,10,14-tetramethyl-6-acetoxy-14-[16-acetoxy-19-(20,21-dimethyl)-18-ene]phenanthrene-1-ene-3,7-dione |
| Derivative IUPAC Name: | 1-[(1R,4aS,4bR,8aR,10aS)-9-(acetyloxy)-1,4b,8,10a-tetramethyl-7,10-bis[(trimethylsilyl)oxy]-1,2,3,4,4a,4b,8a,10a-octahydrophenanthren-1-yl]-5-methylhex-4-en-2-yl acetate |
| Derivative SMILES: | CC(=O)OC1=C(O[Si](C)(C)C)[C@@]2(C)[C@@H](CCC[C@]2(C)CC(CC=C(C)C)OC(C)=O)[C@@]2(C)C=CC(O[Si](C)(C)C)=C(C)[C@H]12 |
| Derivative InChIKey: | InChIKey=ZZORHDHYCONBQF-IVBGITGHSA-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: | C29H42O6 |
| Molecular Weight (Monoisotopic Mass): | 486.2981 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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References