Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0010342)
Spectrum Details
| MiMe ID: | MMDBc0010342 |
|---|---|
| Compound Name: | Chaetomugilin P |
| Derivative IUPAC Name: | (2S,4Z)-4-chloro-2-hydroxy-2-[(8S)-5-methyl-3-[(1E,3R,4R)-3-methyl-4-[(trimethylsilyl)oxy]pent-1-en-1-yl]-6-[(trimethylsilyl)oxy]-8H-isochromen-8-yl]hex-4-en-3-one |
| Derivative SMILES: | C/C=C(\Cl)C(=O)[C@@](C)(O)[C@H]1C=C(O[Si](C)(C)C)C(C)=C2C=C(/C=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C)OC=C21 |
| Derivative InChIKey: | InChIKey=DIWUQHWXBSWCJT-WEGXOPSPSA-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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References