Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0008348)
Spectrum Details
| MiMe ID: | MMDBc0008348 |
|---|---|
| Compound Name: | Chaetomugilin R |
| Derivative IUPAC Name: | (7R,8S,8aS)-5-chloro-3-[(1E,3S,4S)-4-hydroxy-3-methylpent-1-en-1-yl]-7-methyl-7,8-bis[(trimethylsilyl)oxy]-6,7,8,8a-tetrahydro-1H-isochromen-6-one |
| Derivative SMILES: | C[C@H](O)[C@@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2CO1 |
| Derivative InChIKey: | InChIKey=ZIMKKZIZBUMAAG-NKLGCDDUSA-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: | C16H21ClO5 |
| Molecular Weight (Monoisotopic Mass): | 328.1078 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