Predicted GC-MS Spectrum - GC-MS (TMS_4_1) - 70eV, Positive (MMDBc0028009)
Spectrum Details
| MiMe ID: | MMDBc0028009 |
|---|---|
| Compound Name: | Dikojiacid B |
| Derivative IUPAC Name: | 2-(1-{4-oxo-3-[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}-4H-pyran-2-yl}ethyl)-3-[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}-4H-pyran-4-one |
| Derivative SMILES: | CC(C1=C(O[Si](C)(C)C)C(=O)C=C(CO[Si](C)(C)C)O1)C1=C(O[Si](C)(C)C)C(=O)C=C(CO[Si](C)(C)C)O1 |
| Derivative InChIKey: | InChIKey=NAVHOQLHCWPJIN-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_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: | C14H14O8 |
| Molecular Weight (Monoisotopic Mass): | 310.0689 Da |
| Derivative Type: | TMS_4_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