Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0014794)
Spectrum Details
| MiMe ID: | MMDBc0014794 |
|---|---|
| Compound Name: | Nafuredin |
| Derivative IUPAC Name: | (1R,2R,5R,6S)-1-methyl-5-[(trimethylsilyl)oxy]-2-[(1E,3E,5R,7E,9E,11S)-5,7,11-trimethyltrideca-1,3,7,9-tetraen-1-yl]-3,7-dioxabicyclo[4.1.0]heptan-4-one |
| Derivative SMILES: | CC[C@H](C)/C=C/C=C(\C)C[C@@H](C)/C=C/C=C/[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@@H]2O[C@@]21C |
| Derivative InChIKey: | InChIKey=BDONUOOBVDLVMT-DYZVUCJZSA-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: | C22H32O4 |
| Molecular Weight (Monoisotopic Mass): | 360.2301 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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References