Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0009925)
Spectrum Details
| MiMe ID: | MMDBc0009925 |
|---|---|
| Compound Name: | Parguerene |
| Derivative IUPAC Name: | trimethylsilyl (2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienimidate |
| Derivative SMILES: | C/C(=C\C/C=C(\C)C(=N[C@@H](C)CO)O[Si](C)(C)C)CCCC(C)C/C=C/CC1=CC=CC=C1 |
| Derivative InChIKey: | InChIKey=ZRUIPADUBNTHEN-QIOGRPDHSA-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 |
|---|---|
| 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: | C26H39NO2 |
| Molecular Weight (Monoisotopic Mass): | 397.2981 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References