Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0033531)
Spectrum Details
| MiMe ID: | MMDBc0033531 |
|---|---|
| Compound Name: | Lutein |
| Derivative IUPAC Name: | (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethyl-4-[(trimethylsilyl)oxy]cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-ol |
| Derivative SMILES: | CC(C=C[C@H]1C(C)=CC(O[Si](C)(C)C)CC1(C)C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C |
| Derivative InChIKey: | InChIKey=UALBSSCHHUMOHN-WEZQILKESA-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: | C40H56O2 |
| Molecular Weight (Monoisotopic Mass): | 568.428 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 | 787 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References