Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0006453)
Spectrum Details
| MiMe ID: | MMDBc0006453 |
|---|---|
| Compound Name: | Chaetomugilin J |
| Derivative IUPAC Name: | (7S,8S)-5-chloro-7-methyl-8-[(3E)-3-methyl-2-oxopent-3-en-1-yl]-3-[(1E,3S)-3-methylpent-1-en-1-yl]-7-[(trimethylsilyl)oxy]-7,8-dihydro-6H-isochromen-6-one |
| Derivative SMILES: | C/C=C(\C)C(=O)C[C@H]1C2=COC(/C=C/[C@@H](C)CC)=CC2=C(Cl)C(=O)[C@@]1(C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=VAPFQCYTYKUKRV-VQDNKKRZSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C22H27ClO4 |
| Molecular Weight (Monoisotopic Mass): | 390.1598 Da |
| Derivative Type: | TMS_1_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 | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References