Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive (MMDBc0030445)
Spectrum Details
| MiMe ID: | MMDBc0030445 |
|---|---|
| Compound Name: | Ferricytochrome c |
| Derivative IUPAC Name: | 1-[(5E)-7-{[3,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4-[(trimethylsilyl)oxy]oxan-2-yl]oxy}-6-methylhept-5-en-2-yl]-7-hydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one |
| Derivative SMILES: | C/C(=C\CCC(C)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O |
| Derivative InChIKey: | InChIKey=WMMLOCOOVJPVBW-WYMPLXKRNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 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: | C42H68O13 |
| Molecular Weight (Monoisotopic Mass): | 780.466 Da |
| Derivative Type: | TMS_1_6 |
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 | 788 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References