Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0023894)
Spectrum Details
MiMe ID: | MMDBc0023894 |
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Compound Name: | Alternapyrone C |
Derivative IUPAC Name: | 6-(14-ethyl-15-hydroxy-4,6,12-trimethyl-8-{[(trimethylsilyl)oxy]methyl}pentadeca-4,6,12-trien-2-yl)-3,5-dimethyl-4-[(trimethylsilyl)oxy]-2H-pyran-2-one |
Derivative SMILES: | CCC(C=C(C)CCCC(C=C(C)C=C(C)CC(C)C1=C(C)C(O[Si](C)(C)C)=C(C)C(=O)O1)CO[Si](C)(C)C)CO |
Derivative InChIKey: | InChIKey=TZXLBMSMPXTIIY-UHFFFAOYNA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 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: | C28H44O5 |
Molecular Weight (Monoisotopic Mass): | 460.3189 Da |
Derivative Type: | TMS_2_3 |
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