Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive (MMDBc0000981)
Spectrum Details
| MiMe ID: | MMDBc0000981 |
|---|---|
| Compound Name: | Sterenin M |
| Derivative IUPAC Name: | 2-(4-hydroxy-6-{2-methyl-4,6-bis[(trimethylsilyl)oxy]benzoyloxy}-5-(3-methylbut-2-en-1-yl)-1-oxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoic acid |
| Derivative SMILES: | CC(C)=CCC1=C(OC(=O)C2=C(C)C=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C=C2C(=O)N(C(CC(C)C)C(=O)O)CC2=C1O |
| Derivative InChIKey: | InChIKey=KCDASWNWTSNICP-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 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: | C27H31NO8 |
| Molecular Weight (Monoisotopic Mass): | 497.205 Da |
| Derivative Type: | TMS_2_4 |
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