Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0017511)
Spectrum Details
| MiMe ID: | MMDBc0017511 |
|---|---|
| Compound Name: | 4-ketozeinoxanthin |
| Derivative IUPAC Name: | trimethyl({4,4,6-trimethyl-5-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2-[(trimethylsilyl)oxy]cyclohexa-1,5-dien-1-yl}oxy)silane |
| Derivative SMILES: | CC(C=CC=C(C)C=CC1=C(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CCCC1(C)C |
| Derivative InChIKey: | InChIKey=DCMZKXCFRVLHHH-UHFFFAOYNA-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: | C40H54O2 |
| Molecular Weight (Monoisotopic Mass): | 566.4124 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 | 779 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References