Spectrum Details
FooDB ID:FDB022173
Compound Name:Hematoporphyrin IX
Derivative IUPAC Name:Not Available
Derivative SMILES:CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4[NH]C(=CC5=NC(=CC1=N2)C(C(C)O[Si](C)(C)C)=C5C)C(C(C)O)=C4C)N3[Si](C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 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:C34H38N4O6
Molecular Weight (Monoisotopic Mass):598.2791 Da
Derivative Type:TMS_2_8
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4[NH]C(=CC5=NC(=CC1=N2)C(C(C)O[Si](C)(C)C)=C5C)C(C(C)O)=C4C)N3[Si](C)(C)C)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file743 Bytes
mzML formatted file (MZML)Download file4.67 KB
Not Available