Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0003292)
Spectrum Details
MiMe ID: | MMDBc0003292 |
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Compound Name: | 4β-Acetoxytetrahydrobotryslactone |
Derivative IUPAC Name: | (1S,3aS,4S,6R)-7-[(2S,4R)-4-hydroxy-5-oxooxolan-2-yl]-1,3,3,6-tetramethyl-1-{[(trimethylsilyl)oxy]methyl}-2,3,3a,4,5,6-hexahydro-1H-inden-4-yl acetate |
Derivative SMILES: | CC(=O)O[C@H]1C[C@@H](C)C([C@@H]2C[C@@H](O)C(=O)O2)=C2[C@@H]1C(C)(C)C[C@]2(C)CO[Si](C)(C)C |
Derivative InChIKey: | InChIKey=IVWUCWVPDZCTDW-LOGHSJMFSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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: | C20H30O6 |
Molecular Weight (Monoisotopic Mass): | 366.2042 Da |
Derivative Type: | TMS_1_2 |
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 | 4.63 KB |
References