Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0024910)
Spectrum Details
| MiMe ID: | MMDBc0024910 |
|---|---|
| Compound Name: | 13-epi-higginsianin C |
| Derivative IUPAC Name: | 3-{[(3R,4aR,6aR,7R,10aR,10bS)-6a,10b-dimethyl-8-methylidene-3-{2-[(trimethylsilyl)oxy]propan-2-yl}-dodecahydro-1H-naphtho[2,1-b]pyran-7-yl]methyl}-5,6-dimethyl-4-[(trimethylsilyl)oxy]-2H-pyran-2-one |
| Derivative SMILES: | C=C1CC[C@H]2[C@]3(C)CC[C@H](C(C)(C)O[Si](C)(C)C)O[C@@H]3CC[C@]2(C)[C@@H]1CC1=C(O[Si](C)(C)C)C(C)=C(C)OC1=O |
| Derivative InChIKey: | InChIKey=OMXIIKPSYQACQL-CKLFEEJVSA-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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References