Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 70eV, Positive (MMDBc0013188)
Spectrum Details
| MiMe ID: | MMDBc0013188 |
|---|---|
| Compound Name: | Ganoderic acid H |
| Derivative IUPAC Name: | 6-[11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-7-[(trimethylsilyl)oxy]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-[(trimethylsilyl)oxy]hept-4-enoic acid |
| Derivative SMILES: | CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)C=C(CC(C)C(=O)O)O[Si](C)(C)C)C12C |
| Derivative InChIKey: | InChIKey=VKUAGMFIEJZLIN-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 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: | C32H44O9 |
| Molecular Weight (Monoisotopic Mass): | 572.2985 Da |
| Derivative Type: | TMS_2_11 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)C=C(CC(C)C(=O)O)O[Si](C)(C)C)C12C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 760 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available