Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive (MMDBc0017529)
Spectrum Details
MiMe ID: | MMDBc0017529 |
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Compound Name: | Sch 210792 |
Derivative IUPAC Name: | trimethylsilyl (2R)-3-[(3Z)-3-{[(1S,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-hydroxy-2-methylpropanoate |
Derivative SMILES: | C/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1/C(O)=C1/C(O)=NC(C[C@@](C)(O)C(=O)O[Si](C)(C)C)=C1O[Si](C)(C)C |
Derivative InChIKey: | InChIKey=OWOSDEVIRIKGII-FBKKMBMPSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 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 |
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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: | C25H35NO6 |
Molecular Weight (Monoisotopic Mass): | 445.2464 Da |
Derivative Type: | TMS_2_10 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document Description | Download | File Size |
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Generated list of m/z values for the spectrum (TSV) | Download file | 772 Bytes |
mzML formatted file (MZML) | Download file | 4.64 KB |
References