Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0005436)
Spectrum Details
| MiMe ID: | MMDBc0005436 |
|---|---|
| Compound Name: | Sarcinaxanthin |
| Derivative IUPAC Name: | (2E)-4-[(1R,3R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3R)-2,2-dimethyl-3-[(2E)-3-methyl-4-[(trimethylsilyl)oxy]but-2-en-1-yl]-6-methylidenecyclohexyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,2-dimethyl-4-methylidenecyclohexyl]-2-methylbut-2-en-1-ol |
| Derivative SMILES: | C=C1CC[C@H](C/C=C(\C)CO)C(C)(C)[C@@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@H]1C(=C)CC[C@H](C/C=C(\C)CO[Si](C)(C)C)C1(C)C |
| Derivative InChIKey: | InChIKey=GWAIVGUPQGJPEA-NWOUCVRZSA-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: | C50H72O2 |
| Molecular Weight (Monoisotopic Mass): | 704.5532 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 | 783 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References