Spectrum Details
T3DB ID:T3D4274
Compound Name:Porphobilinogen
Derivative IUPAC Name:3-(5-{[(tert-butyldimethylsilyl)amino]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl)propanoic acid
Derivative SMILES:CC(C)(C)[Si](C)(C)NCC1=C(CC(=O)O)C(CCC(=O)O)=C[NH]1
Derivative InChIKey:InChIKey=QYIMNUSVFSUAHS-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_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:C10H14N2O4
Molecular Weight (Monoisotopic Mass):226.0954 Da
Derivative Type:TBDMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)NCC1=C(CC(=O)O)C(CCC(=O)O)=C[NH]1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file742 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available