Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0001859)
Spectrum Details
| MiMe ID: | MMDBc0001859 |
|---|---|
| Compound Name: | Fumagiringillin |
| Derivative IUPAC Name: | (2E,4E,6E,8E)-10-{[(3S,3aS,4S,5R,7aR)-7a-hydroxy-4-methoxy-3-methyl-3-[(1R)-4-methyl-1-[(trimethylsilyl)oxy]pent-3-en-1-yl]-octahydro-2-benzofuran-5-yl]oxy}-10-oxodeca-2,4,6,8-tetraenoic acid |
| Derivative SMILES: | CO[C@H]1[C@@H]2[C@@](C)([C@@H](CC=C(C)C)O[Si](C)(C)C)OC[C@@]2(O)CC[C@H]1OC(=O)/C=C/C=C/C=C/C=C/C(=O)O |
| Derivative InChIKey: | InChIKey=ZDYXEAFGDPWANJ-GQBRNBQPSA-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: | C26H36O8 |
| Molecular Weight (Monoisotopic Mass): | 476.241 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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References