Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0012099)
Spectrum Details
MiMe ID: | MMDBc0012099 |
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Compound Name: | Aculene C |
Derivative IUPAC Name: | (8S,8aR)-3-ethyl-6,8a-dimethyl-8-[(trimethylsilyl)oxy]-1,7,8,8a-tetrahydroazulen-1-one |
Derivative SMILES: | CCC1=CC(=O)[C@]2(C)C1=CC=C(C)C[C@@H]2O[Si](C)(C)C |
Derivative InChIKey: | InChIKey=YIHAOMDUBIFYOX-IRXDYDNUSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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 |
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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: | C14H18O2 |
Molecular Weight (Monoisotopic Mass): | 218.1307 Da |
Derivative Type: | TMS_1_1 |
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 | 777 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References