Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive (MMDBc0013419)
Spectrum Details
| MiMe ID: | MMDBc0013419 |
|---|---|
| Compound Name: | Sch-213766 |
| Derivative IUPAC Name: | methyl 3-[(3Z)-3-{[(2R,4aS,6R,8S,8aR)-2-[(2E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl](hydroxy)methylidene}-2-hydroxy-4-[(trimethylsilyl)oxy]-3H-pyrrol-5-yl]-2-methyl-2-[(trimethylsilyl)oxy]propanoate |
| Derivative SMILES: | C/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@H]2C1/C(O)=C1/C(O)=NC(CC(C)(O[Si](C)(C)C)C(=O)OC)=C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=AIWKOLIPXYSNIE-UWILQTLUSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 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: | C26H37NO6 |
| Molecular Weight (Monoisotopic Mass): | 459.2621 Da |
| Derivative Type: | TMS_2_6 |
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 | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References