Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0003506)
Spectrum Details
| MiMe ID: | MMDBc0003506 |
|---|---|
| Compound Name: | Citreoviridin 1b |
| Derivative IUPAC Name: | 6-[(1E,3E,5E,7E)-8-[(2R,3S,4R,5S)-4-hydroxy-2,4,5-trimethyl-3-[(trimethylsilyl)oxy]oxolan-2-yl]-7-methylocta-1,3,5,7-tetraen-1-yl]-4-methoxy-3-methyl-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)[C@@H]2O[Si](C)(C)C)=C1 |
| Derivative InChIKey: | InChIKey=SLEYEGPTNJSSTR-VPZKLVPESA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C23H30O6 |
| Molecular Weight (Monoisotopic Mass): | 402.2042 Da |
| Derivative Type: | TMS_1_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 | 765 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References