MassBank Record: KO009008



 3-Iodotyrosine; LC-ESI-IT; MS3; m/z: 308/262; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO009008
RECORD_TITLE: 3-Iodotyrosine; LC-ESI-IT; MS3; m/z: 308/262; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID I050
COMMENT: [MS2] KO009006

CH$NAME: 3-Iodotyrosine CH$NAME: 3-Iodo-L-tyrosine CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10INO3 CH$EXACT_MASS: 306.97054 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)cc(I)c(O)c1 CH$IUPAC: InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1 CH$LINK: CAS 70-78-0 CH$LINK: CHEBI 27847 CH$LINK: CHEMPDB IYR CH$LINK: KEGG C02515 CH$LINK: NIKKAJI J4.880A CH$LINK: PUBCHEM 5525 CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.80/0.80
MS$FOCUSED_ION: PRECURSOR_M/Z 308/262 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-000i-0900000000-6de0b405d60b85059abc PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 77.2 7.08 2 79.1 17.61 5 80.2 1.62 1 88.1 7.31 2 89.1 10.00 3 90.1 11.38 3 91.1 1.31 1 92.0 5.69 2 93.2 4.61 1 103.1 9.15 3 104.2 0.92 1 105.1 2.54 1 106.1 24.15 7 107.0 78.46 22 108.1 125.30 35 110.0 4.15 1 117.2 12.23 3 118.1 378.37 106 120.0 119.29 33 133.0 11.46 3 134.0 536.33 151 135.1 3558.73 999 136.1 9.62 3 136.7 17.62 5 138.6 25.07 7 142.3 3.69 1 179.0 6.69 2 187.1 8.07 2 190.9 11.84 3 217.8 3.23 1 244.8 40.61 11 261.9 80.30 23 //