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L-Triodothyronine
SpectraBase Compound ID Cwk0x6I4zWH
InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
InChIKey AUYYCJSJGJYCDS-LBPRGKRZSA-N
Mol Weight 650.98 g/mol
Molecular Formula C15H12I3NO4
Exact Mass 650.790043 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4e28nqrhu1B
Name Triiodothyronine
CAS Registry Number 6893-02-3
Collision Energy 40 eV
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Exact Mass 650.790042866 u
Formula C15H12I3NO4
InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
InChIKey AUYYCJSJGJYCDS-LBPRGKRZSA-N
Instrument Name QStar XL, AB Sciex
Ion Polarity P
Ionization Type ESI+
Molecular Weight 650.977 g/mol
Nominal Mass 651 u
Precursor Ion [M+H]+
Precursor m/z 651.797
SMILES N[C@](C(O)=O)(CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)[H]
Selected Ion Charge 1
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Spectrum Type ms2
Synonyms (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
Technique Q-TOF
Wiley ID MSforID_+_973.7