MassBank Record: KO001915



 3,3',5-Triiodothyronine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001915
RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 650 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0fc0-0700119000-1df6db0e3031eb2739fa PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 72.300 257426.0 35 126.700 7287136.0 999 185.600 19802.0 3 341.600 24752.5 3 399.300 94059.5 13 449.300 772278.0 106 463.300 34653.5 5 470.400 59406.0 8 477.800 168317.0 23 479.000 232673.5 32 506.200 534654.0 73 522.100 84158.5 12 523.100 227723.0 31 523.300 277228.0 38 532.500 19802.0 3 577.000 321782.5 44 632.500 683169.0 94 633.000 3881192.0 532 633.700 49505.0 7 650.100 4519806.5 620 //