MassBank Record: KO004157



 3,3',5-Triiodothyronine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO004157
RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T040

CH$NAME: 3,3',5-Triiodothyronine CH$NAME: L-3,5,3'-Triiodothyronine CH$NAME: 3,5,3'-Triiodo-L-thyronine CH$NAME: Triiodothyronine CH$NAME: 3,3'5-Triiodo-L-thyronine CH$NAME: Liothyronine CH$NAME: 3,5,3'-Triiodothyronine CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H12I3NO4 CH$EXACT_MASS: 650.79004 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)cc(I)c(Oc(c2)cc(I)c(O)c2)c(I)1 CH$IUPAC: 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 CH$LINK: CAS 6893-02-3 CH$LINK: CHEBI 18258 CH$LINK: CHEMPDB T3 CH$LINK: KEGG C02465 CH$LINK: NIKKAJI J85.948F CH$LINK: PUBCHEM SID:5481 CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 652 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0000009000-2770ece749a9fa1042f4 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 146.700 14851.5 1 203.600 14851.5 1 280.100 44554.5 4 523.300 29703.0 3 575.900 29703.0 3 592.200 39604.0 4 605.900 188119.0 17 609.100 9901.0 1 634.900 39604.0 4 652.300 10787139.5 999 //

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