Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0010596)
Spectrum Details
| MiMe ID: | MMDBc0010596 |
|---|---|
| Compound Name: | Pestaloficiol T |
| Derivative IUPAC Name: | (1S)-1-(4-methoxy-2-oxo-5-{[(trimethylsilyl)oxy]methyl}-2H-pyran-6-yl)heptyl 2-[2-hydroxy-4-methoxy-6-(methoxycarbonyl)phenoxy]-4-methyl-6-[(trimethylsilyl)oxy]benzoate |
| Derivative SMILES: | CCCCCC[C@H](OC(=O)C1=C(O[Si](C)(C)C)C=C(C)C=C1OC1=C(O)C=C(OC)C=C1C(=O)OC)C1=C(CO[Si](C)(C)C)C(OC)=CC(=O)O1 |
| Derivative InChIKey: | InChIKey=HHSVJUOTZOFSTK-NDEPHWFRSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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: | C31H36O12 |
| Molecular Weight (Monoisotopic Mass): | 600.2207 Da |
| Derivative Type: | TMS_2_2 |
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 | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References