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Spectrum Details
HMDB ID:HMDB0260021
Compound Name:3-[18-(2-Carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:CCC1=C2/C=C3\[NH]/C(=C\C4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(/C=C5/C(CCC(=O)O)=C(C)/C(=C/C(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)C(CC)=C3C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - 3-[18-(2-Carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid 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:C34H40N4O4
Molecular Weight (Monoisotopic Mass):568.305 Da
Derivative Type:TMS_2_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCC1=C2/C=C3\[NH]/C(=C\C4=C(C)C(CCC(=O)O[Si](C)(C)C)=C(/C=C5/C(CCC(=O)O)=C(C)/C(=C/C(=C1C)[NH]2)N5[Si](C)(C)C)[NH]4)C(CC)=C3C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file748 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available