Spectrum Details
T3DB ID:T3D4440
Compound Name:Protoporphyrin IX
Derivative IUPAC Name:3-[22-(tert-butyldimethylsilyl)-20-{3-[(tert-butyldimethylsilyl)oxy]-3-oxopropyl}-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoic acid
Derivative SMILES:C=CC1=C(C)C2=CC3=C(C=C)C(C)=C(C=C4N=C(C=C5[NH]C(=CC1=N2)C(C)=C5CCC(=O)O)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C4C)N3[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=UXEPRZNBZCHADZ-WNHABBKMSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_2_4) - 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:C34H34N4O4
Molecular Weight (Monoisotopic Mass):562.258 Da
Derivative Type:TBDMS_2_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=CC1=C(C)C2=CC3=C(C=C)C(C)=C(C=C4N=C(C=C5[NH]C(=CC1=N2)C(C)=C5CCC(=O)O)C(CCC(=O)O[Si](C)(C)C(C)(C)C)=C4C)N3[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file739 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available