Predicted GC-MS Spectrum - GC-MS (TMS_4_1) - 70eV, Positive (MMDBc0032867)
Spectrum Details
| MiMe ID: | MMDBc0032867 |
|---|---|
| Compound Name: | Alpha Biliverdin |
| Derivative IUPAC Name: | trimethylsilyl 3-(5-{[(2Z)-4-ethenyl-3-methyl-5-[(trimethylsilyl)oxy]-2H-pyrrol-2-ylidene]methyl}-2-{[(2Z)-5-{[(2Z)-3-ethenyl-4-methyl-5-[(trimethylsilyl)oxy]-2H-pyrrol-2-ylidene]methyl}-4-methyl-3-{3-oxo-3-[(trimethylsilyl)oxy]propyl}-2H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoate |
| Derivative SMILES: | C=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(/C=C3\N=C(/C=C4\N=C(O[Si](C)(C)C)C(C)=C4C=C)C(C)=C3CCC(=O)O[Si](C)(C)C)N2)N=C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=DBGMTTUAVRYHIR-JPYHDOCRSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_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: | C33H34N4O6 |
| Molecular Weight (Monoisotopic Mass): | 582.2478 Da |
| Derivative Type: | TMS_4_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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References