Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0005009)
Spectrum Details
| MiMe ID: | MMDBc0005009 |
|---|---|
| Compound Name: | Citreoviridin 1c |
| Derivative IUPAC Name: | 4-methoxy-3,5-dimethyl-6-[(1E,3E,5E,7E)-7-methyl-8-[(2R,3R,4R,5S)-2,4,5-trimethyl-3,4-bis[(trimethylsilyl)oxy]oxolan-2-yl]octa-1,3,5,7-tetraen-1-yl]-2H-pyran-2-one |
| Derivative SMILES: | COC1=C(C)C(=O)OC(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=C1C |
| Derivative InChIKey: | InChIKey=PVSFFVHLAJFEAD-ORDLEUMZSA-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: | C24H32O6 |
| Molecular Weight (Monoisotopic Mass): | 416.2199 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 | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References