Spectrum Details
FooDB ID:FDB022214
Compound Name:Heptacarboxylporphyrin I
Derivative IUPAC Name:Not Available
Derivative SMILES:CC1=C(CCC(=O)O)C2=CC3=C(CC(=O)O)C(CCC(=O)O)=C(C=C4N=C(C=C5[NH]C(=CC1=N2)C(CCC(=O)O)=C5CC(=O)O)C(CCC(=O)O[Si](C)(C)C)=C4CC(=O)O)[NH]3
Derivative InChIKey:Not Available
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:C39H38N4O14
Molecular Weight (Monoisotopic Mass):786.2385 Da
Derivative Type:TMS_1_6
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=C(CCC(=O)O)C2=CC3=C(CC(=O)O)C(CCC(=O)O)=C(C=C4N=C(C=C5[NH]C(=CC1=N2)C(CCC(=O)O)=C5CC(=O)O)C(CCC(=O)O[Si](C)(C)C)=C4CC(=O)O)[NH]3)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file742 Bytes
mzML formatted file (MZML)Download file4.67 KB
Not Available