Spectrum Details
FooDB ID:FDB005557
Compound Name:Coproporphyrin III
Derivative IUPAC Name:Not Available
Derivative SMILES:CC1=C(CCC(=O)O)C2=CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(C=C4N=C(C=C5[NH]C(=CC1=N2)C(CCC(=O)O[Si](C)(C)C)=C5C)C(C)=C4CCC(=O)O)[NH]3
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 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:C36H38N4O8
Molecular Weight (Monoisotopic Mass):654.269 Da
Derivative Type:TMS_2_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=C(CCC(=O)O)C2=CC3=C(C)C(CCC(=O)O[Si](C)(C)C)=C(C=C4N=C(C=C5[NH]C(=CC1=N2)C(CCC(=O)O[Si](C)(C)C)=C5C)C(C)=C4CCC(=O)O)[NH]3)
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
mzML formatted fileDownload file
References
Not Available