Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0008578)
Spectrum Details
| MiMe ID: | MMDBc0008578 |
|---|---|
| Compound Name: | Sterenin L |
| Derivative IUPAC Name: | 2-{3-methyl-1-oxo-1-[(trimethylsilyl)oxy]pentan-2-yl}-6-(3-methylbut-2-en-1-yl)-3-oxo-7-[(trimethylsilyl)oxy]-2,3-dihydro-1H-isoindol-5-yl 2-hydroxy-6-methyl-4-[(trimethylsilyl)oxy]benzoate |
| Derivative SMILES: | CCC(C)C(C(=O)O[Si](C)(C)C)N1CC2=C(C=C(OC(=O)C3=C(C)C=C(O[Si](C)(C)C)C=C3O)C(CC=C(C)C)=C2O[Si](C)(C)C)C1=O |
| Derivative InChIKey: | InChIKey=NASVRPHXXOTBTK-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C27H31NO8 |
| Molecular Weight (Monoisotopic Mass): | 497.205 Da |
| Derivative Type: | TMS_3_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 | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References