Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive (FDB007162)
Spectrum Details
| FooDB ID: | FDB007162 |
|---|---|
| Compound Name: | Ecdysone |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(O[Si](C)(C)C)=C4C[C@@H](O[Si](C)(C)C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 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: | C27H44O6 |
| Molecular Weight (Monoisotopic Mass): | 464.3138 Da |
| Derivative Type: | TMS_2_9 |
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 | 779 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References