Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0007170)
Spectrum Details
| MiMe ID: | MMDBc0007170 |
|---|---|
| Compound Name: | (6S,7R,10E,14E)-16-(1H-indol-3-yl)-2,6,10,14-tetramethylhexadeca-2,10,14-triene-6,7-diol |
| Derivative IUPAC Name: | 3-[(2E,6E,10R,11S)-3,7,11,15-tetramethyl-10,11-bis[(trimethylsilyl)oxy]hexadeca-2,6,14-trien-1-yl]-1H-indole |
| Derivative SMILES: | CC(C)=CCC[C@](C)(O[Si](C)(C)C)[C@@H](CC/C(C)=C/CC/C(C)=C/CC1=CNC2=CC=CC=C12)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=ZMUFSFOSBYGKGQ-TYOZHDDDSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C28H41NO2 |
| Molecular Weight (Monoisotopic Mass): | 423.3137 Da |
| Derivative Type: | TMS_2_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