Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0004638)
Spectrum Details
| MiMe ID: | MMDBc0004638 |
|---|---|
| Compound Name: | Botrydial |
| Derivative IUPAC Name: | (1S,3aR,4S,6R,7aS)-1-formyl-1,3,3,6-tetramethyl-7a-[(trimethylsilyl)oxy]-7-{[(trimethylsilyl)oxy]methylidene}-octahydro-1H-inden-4-yl acetate |
| Derivative SMILES: | CC(=O)O[C@H]1C[C@@H](C)C(=CO[Si](C)(C)C)[C@@]2(O[Si](C)(C)C)[C@@H]1C(C)(C)C[C@]2(C)C=O |
| Derivative InChIKey: | InChIKey=FHZQOBNAEMPDOU-WDIUULMDSA-N |
| 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: | C17H26O5 |
| Molecular Weight (Monoisotopic Mass): | 310.178 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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References