Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0028008)
Spectrum Details
| MiMe ID: | MMDBc0028008 |
|---|---|
| Compound Name: | Dikojiacid A |
| Derivative IUPAC Name: | (6-{1-[6-(hydroxymethyl)-4-oxo-3-[(trimethylsilyl)oxy]-4H-pyran-2-yl]ethyl}-4-oxo-5-[(trimethylsilyl)oxy]-4H-pyran-2-yl)methyl acetate |
| Derivative SMILES: | CC(=O)OCC1=CC(=O)C(O[Si](C)(C)C)=C(C(C)C2=C(O[Si](C)(C)C)C(=O)C=C(CO)O2)O1 |
| Derivative InChIKey: | InChIKey=KMXHFKYLZCPXRV-UHFFFAOYNA-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: | C16H16O9 |
| Molecular Weight (Monoisotopic Mass): | 352.0794 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 | 779 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References