Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0017129)
Spectrum Details
| MiMe ID: | MMDBc0017129 |
|---|---|
| Compound Name: | Ent-4(15)-eudesmen-5,7-diol-1-one |
| Derivative IUPAC Name: | (3R,4aS,8aS)-8a-methyl-5-methylidene-3-(propan-2-yl)-3,8-bis[(trimethylsilyl)oxy]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-4a-ol |
| Derivative SMILES: | C=C1CC=C(O[Si](C)(C)C)[C@@]2(C)CC[C@](O[Si](C)(C)C)(C(C)C)C[C@]12O |
| Derivative InChIKey: | InChIKey=YKZDAMUBFJPRDV-NJYVYQBISA-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: | C15H24O3 |
| Molecular Weight (Monoisotopic Mass): | 252.1725 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 | 759 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References