Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0017930)
Spectrum Details
MiMe ID: | MMDBc0017930 |
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Compound Name: | (1S,2S)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-hexanoic acid |
Derivative IUPAC Name: | trimethylsilyl 6-[(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]hexanoate |
Derivative SMILES: | CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CCCCCC(=O)O[Si](C)(C)C |
Derivative InChIKey: | InChIKey=UMYPQEGVTKXRSM-KIZNEFEJSA-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: | C16H26O3 |
Molecular Weight (Monoisotopic Mass): | 266.1882 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 | 776 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References