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Spectrum Details
T3DB ID:T3D4759
Compound Name:Liothyronine
Derivative IUPAC Name:tert-butyldimethylsilyl (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate
Derivative SMILES:CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C(I)=C1
Derivative InChIKey:InChIKey=KGKPDNYHBBXBCN-KRWDZBQOSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 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:C15H12I3NO4
Molecular Weight (Monoisotopic Mass):650.79 Da
Derivative Type:TBDMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C(I)=C1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file750 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available