Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0017878)
Spectrum Details
| MiMe ID: | MMDBc0017878 |
|---|---|
| Compound Name: | Seco-Chaetomugilin A |
| Derivative IUPAC Name: | methyl (6aS,8R,9R,9aS)-5-chloro-8-hydroxy-3-[(1E,3R,4R)-4-hydroxy-3-methylpent-1-en-1-yl]-6a-methyl-6-oxo-8-[(2R,3R)-3-[(trimethylsilyl)oxy]butan-2-yl]-6H,6aH,8H,9H,9aH-furo[2,3-h]isochromene-9-carboxylate |
| Derivative SMILES: | COC(=O)[C@@H]1[C@H]2C3=COC(/C=C/[C@@H](C)[C@@H](C)O)=CC3=C(Cl)C(=O)[C@@]2(C)O[C@]1(O)[C@H](C)[C@@H](C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=YNOZYDMUQCVRLD-ABNOLYKVSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C24H31ClO8 |
| Molecular Weight (Monoisotopic Mass): | 482.1707 Da |
| Derivative Type: | TMS_1_3 |
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