Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0012957)
Spectrum Details
| MiMe ID: | MMDBc0012957 |
|---|---|
| Compound Name: | Seco-Chaetomugilin D |
| Derivative IUPAC Name: | methyl (6aS,8S,9R,9aS)-5-chloro-6a-methyl-3-[(1E,3S)-3-methylpent-1-en-1-yl]-6-oxo-8-[(trimethylsilyl)oxy]-8-[(2R,3R)-3-[(trimethylsilyl)oxy]butan-2-yl]-6H,6aH,8H,9H,9aH-furo[2,3-h]isochromene-9-carboxylate |
| Derivative SMILES: | CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@](O[Si](C)(C)C)([C@H](C)[C@@H](C)O[Si](C)(C)C)[C@H](C(=O)OC)[C@H]3C2=CO1 |
| Derivative InChIKey: | InChIKey=GBOZJYVMAHQOCJ-HPCIVYBQSA-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: | C24H31ClO7 |
| Molecular Weight (Monoisotopic Mass): | 466.1758 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 | 780 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References