Hmdb loader
Spectrum Details
HMDB ID:HMDB0003178
Compound Name:Heme
Derivative IUPAC Name:Not Available
Derivative SMILES:C=CC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5C(C)=C(CCC(=O)O[Si](C)(C)C)C6=[N+]5[Fe-2]5(N43)N3C(=CC1=[N+]25)C(C)=C(CCC(=O)O[Si](C)(C)C)C3=C6
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Heme GC-MS (TMS_2_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:C34H32FeN4O4
Molecular Weight (Monoisotopic Mass):616.1773 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=CC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5C(C)=C(CCC(=O)O[Si](C)(C)C)C6=[N+]5[Fe-2]5(N43)N3C(=CC1=[N+]25)C(C)=C(CCC(=O)O[Si](C)(C)C)C3=C6)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file750 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available