Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive (MMDBc0055724)
Spectrum Details
| MiMe ID: | MMDBc0055724 |
|---|---|
| Compound Name: | anaerobilin |
| Derivative IUPAC Name: | 3-[(2Z,5Z)-2-{[(2Z)-4-(2-carboxyethyl)-2-{[4-ethenyl-3-methyl-1-(trimethylsilyl)-1H-pyrrol-2-yl]methylidene}-3-methyl-2H-pyrrol-5-yl]methylidene}-5-[(2,4-diethenyl-3-methyl-2H-pyrrol-5-yl)methylidene]-4-methyl-1-(trimethylsilyl)-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid |
| Derivative SMILES: | C=CC1=C(C)C(C=C)N=C1/C=C1/C(C)=C(CCC(=O)O)/C(=C/C2=N/C(=C\C3=C(C)C(C=C)=CN3[Si](C)(C)C)C(C)=C2CCC(=O)O)N1[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=YLSXDMJBRLYEIC-HQSYFKSHNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C35H38N4O4 |
| Molecular Weight (Monoisotopic Mass): | 578.2893 Da |
| Derivative Type: | TMS_2_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 | 765 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References