Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0027570)
Spectrum Details
| MiMe ID: | MMDBc0027570 |
|---|---|
| Compound Name: | Terreusterpene A |
| Derivative IUPAC Name: | 7,9-dimethyl (4aS,6aS,7R,7aS,9S,10aR,11aS,11bS)-4,4,6a,7a,9,10a,11b-heptamethyl-3,8-dioxo-5,6-bis[(trimethylsilyl)oxy]-1H,2H,3H,4H,4aH,6aH,7H,7aH,8H,9H,10aH,11H,11aH,11bH-phenanthro[3,2-b]furan-7,9-dicarboxylate |
| Derivative SMILES: | COC(=O)[C@@H]1[C@@]2(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@@H]2C[C@@]2(C)O[C@](C)(C(=O)OC)C(=O)[C@@]12C |
| Derivative InChIKey: | InChIKey=NMBRSWNRFWCBNL-HMLOLLKKSA-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: | C27H38O9 |
| Molecular Weight (Monoisotopic Mass): | 506.2516 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 | 783 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References