Predicted GC-MS Spectrum - GC-MS (TMS_2_14) - 70eV, Positive (MMDBc0027572)
Spectrum Details
| MiMe ID: | MMDBc0027572 |
|---|---|
| Compound Name: | Terreusterpene C |
| Derivative IUPAC Name: | methyl (2S)-2-[(3aS,3bS,4S,9aS,9bS,11aS)-1,4-dihydroxy-3b,6,6,9a,11a-pentamethyl-11-methylidene-3-oxo-5,7-bis[(trimethylsilyl)oxy]-1H,3H,3aH,3bH,4H,6H,9H,9aH,9bH,10H,11H,11aH-phenanthro[1,2-c]furan-1-yl]-2-hydroxypropanoate |
| Derivative SMILES: | C=C1C[C@H]2[C@]3(C)CC=C(O[Si](C)(C)C)C(C)(C)C3=C(O[Si](C)(C)C)[C@@H](O)[C@]2(C)[C@@H]2C(=O)OC(O)([C@](C)(O)C(=O)OC)[C@]12C |
| Derivative InChIKey: | InChIKey=UREVTVUWBJSKSE-VPAZTYPNSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_14) - 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: | C26H36O9 |
| Molecular Weight (Monoisotopic Mass): | 492.2359 Da |
| Derivative Type: | TMS_2_14 |
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 | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References