Predicted GC-MS Spectrum - GC-MS (TMS_3_9) - 70eV, Positive (MMDBc0032868)
Spectrum Details
| MiMe ID: | MMDBc0032868 |
|---|---|
| Compound Name: | Beta Biliverdin |
| Derivative IUPAC Name: | 3-(2-{[(2Z)-3-(2-carboxyethyl)-4-methyl-5-[(trimethylsilyl)oxy]-2H-pyrrol-2-ylidene]methyl}-5-{[(2E,5E)-3-ethenyl-5-[(3-ethenyl-4-methyl-2-oxo-2H-pyrrol-5-yl)methylidene]-4-methyl-1-(trimethylsilyl)-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1-(trimethylsilyl)-1H-pyrrol-3-yl)propanoic acid |
| Derivative SMILES: | C=CC1=C(C)C(/C=C2\C(C)=C(C=C)/C(=C\C3=C(C)C(CCC(=O)O)=C(/C=C4\N=C(O[Si](C)(C)C)C(C)=C4CCC(=O)O)N3[Si](C)(C)C)N2[Si](C)(C)C)=NC1=O |
| Derivative InChIKey: | InChIKey=OOPJZEWVDOTIQG-DDKOLKLVSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_9) - 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: | C33H34N4O6 |
| Molecular Weight (Monoisotopic Mass): | 582.2478 Da |
| Derivative Type: | TMS_3_9 |
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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References