Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0003952)
Spectrum Details
| MiMe ID: | MMDBc0003952 |
|---|---|
| Compound Name: | Pyripyropene K |
| Derivative IUPAC Name: | [(5aS,6S,7aR,8R,9S,11aS,11bS,12R)-6-(acetyloxy)-5a,8,11a-trimethyl-1-oxo-9-(propanoyloxy)-3-(pyridin-3-yl)-12-[(trimethylsilyl)oxy]-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-8-yl]methyl propanoate |
| Derivative SMILES: | CCC(=O)OC[C@]1(C)[C@@H](OC(=O)CC)CC[C@]2(C)[C@H]3[C@@H](O[Si](C)(C)C)C4=C(C=C(C5=CC=CN=C5)OC4=O)O[C@]3(C)[C@@H](OC(C)=O)C[C@H]21 |
| Derivative InChIKey: | InChIKey=BOZOYUZVCJVULK-CDFJZKBESA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C33H41NO10 |
| Molecular Weight (Monoisotopic Mass): | 611.273 Da |
| Derivative Type: | TMS_1_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 | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References