Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0005276)
Spectrum Details
| MiMe ID: | MMDBc0005276 |
|---|---|
| Compound Name: | 4'-epi-Chaetomugilin A |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[C@H]1[C@@H](C)OC(=O)[C@@H]2[C@H]3C4=COC(/C=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C)=CC4=C(Cl)C(=O)[C@@]3(C)O[C@]12O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C23H27ClO7 |
| Molecular Weight (Monoisotopic Mass): | 450.1445 Da |
| Derivative Type: | TMS_2_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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References