Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0016466)
Spectrum Details
| MiMe ID: | MMDBc0016466 |
|---|---|
| Compound Name: | 2,4,6,8-tetramethyl-3,4-dihydroxydec-8(9)-enolide |
| Derivative IUPAC Name: | (3R,4R,5R,7S)-3,5,7,9-tetramethyl-4,5-bis[(trimethylsilyl)oxy]-1-oxacycloundec-9-en-2-one |
| Derivative SMILES: | CC1=CCOC(=O)[C@H](C)[C@@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)C[C@@H](C)C1 |
| Derivative InChIKey: | InChIKey=RUXBQWOINFMQOR-JRBPQWBISA-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: | C14H24O4 |
| Molecular Weight (Monoisotopic Mass): | 256.1675 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 | 545 Bytes |
| mzML formatted file (MZML) | Download file | 4.44 KB |
References