Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0025894)
Spectrum Details
| MiMe ID: | MMDBc0025894 |
|---|---|
| Compound Name: | Aperterpene N |
| Derivative IUPAC Name: | methyl (2R,3aS,3bR,9aR,9bR,11aS)-2-hydroxy-2,3b,6,6,9a,11a-hexamethyl-11-methylidene-1,3,7-trioxo-5-[(trimethylsilyl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-3a-carboxylate |
| Derivative SMILES: | C=C1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)C3=C(O[Si](C)(C)C)C[C@@]2(C)[C@@]2(C(=O)OC)C(=O)[C@](C)(O)C(=O)[C@@]12C |
| Derivative InChIKey: | InChIKey=HLFJGNJHCKHYNQ-HFGLFXEQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C26H34O7 |
| Molecular Weight (Monoisotopic Mass): | 458.2305 Da |
| Derivative Type: | TMS_1_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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References