MassBank Record: KO001243



 3-Iodotyrosine; 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: KO001243
RECORD_TITLE: 3-Iodotyrosine; 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 I050

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$LINK: PUBCHEM SID:5525
AC$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$FOCUSED_ION: PRECURSOR_M/Z 306 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-1900000000-151c357f1c3d1af4b168 PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 57.400 19802.0 3 59.300 188119.0 25 72.000 123762.5 16 73.900 74257.5 10 75.100 465347.0 61 79.000 138614.0 18 91.100 89109.0 12 92.400 49505.0 7 97.300 534654.0 70 102.700 29703.0 4 107.100 64356.5 8 111.700 34653.5 5 118.800 1123763.5 148 119.900 89109.0 12 126.700 7584166.0 999 131.900 267327.0 35 133.900 861387.0 113 140.800 128713.0 17 141.700 118812.0 16 147.100 292079.5 38 163.900 1272278.5 168 166.300 19802.0 3 178.000 138614.0 18 186.100 103960.5 14 187.900 188119.0 25 204.500 178218.0 23 219.200 282178.5 37 224.200 39604.0 5 231.800 113861.5 15 245.200 311881.5 41 246.500 39604.0 5 289.100 331683.5 44 306.100 222772.5 29 //