Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0002488)
Spectrum Details
| MiMe ID: | MMDBc0002488 |
|---|---|
| Compound Name: | Chaetomugilin I |
| Derivative IUPAC Name: | (7S,8S)-5-chloro-7-hydroxy-7-methyl-8-[(3E)-3-methyl-2-[(trimethylsilyl)oxy]penta-1,3-dien-1-yl]-3-[(1E,3R,4R)-3-methyl-4-[(trimethylsilyl)oxy]pent-1-en-1-yl]-7,8-dihydro-6H-isochromen-6-one |
| Derivative SMILES: | C/C=C(\C)C(=C[C@H]1C2=COC(/C=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C)=CC2=C(Cl)C(=O)[C@@]1(C)O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=KAGOBBQFTCPTJL-DLLDBGKMSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C22H27ClO5 |
| Molecular Weight (Monoisotopic Mass): | 406.1547 Da |
| Derivative Type: | TMS_2_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 | 778 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References