MassBank Record: KO001244



 3-Iodotyrosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001244
RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 306 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-2900000000-3a76280be1a51177051d PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 57.300 103960.5 26 59.100 123762.5 31 59.900 24752.5 6 65.600 9901.0 2 71.900 118812.0 30 73.600 39604.0 10 74.600 113861.5 28 76.700 9901.0 2 78.800 346535.0 87 91.000 49505.0 12 92.400 108911.0 27 92.700 49505.0 12 97.000 198020.0 49 103.100 237624.0 59 107.100 69307.0 17 119.100 133663.5 33 126.700 4000004.0 999 130.900 24752.5 6 131.900 54455.5 14 147.000 287129.0 72 164.100 252475.5 63 //