Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0021775)
Spectrum Details
| MiMe ID: | MMDBc0021775 |
|---|---|
| Compound Name: | Asperitaconic acid C |
| Derivative IUPAC Name: | 1,4-ditrimethylsilyl (3S)-2-methylidene-3-{5-[(trimethylsilyl)oxy]hex-4-en-1-yl}butanedioate |
| Derivative SMILES: | C=C(C(=O)O[Si](C)(C)C)[C@H](CCCC=C(C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=TVMPYWYRYZQZBY-SFHVURJKSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C11H16O5 |
| Molecular Weight (Monoisotopic Mass): | 228.0998 Da |
| Derivative Type: | TMS_3_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 | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References