MassBank Record: KO001242



 3-Iodotyrosine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001242
RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 306 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-056r-0923000000-f702b07a620f77aeef9f PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 58.800 118812.0 15 71.600 59406.0 8 74.900 54455.5 7 96.900 346535.0 44 119.100 1821784.0 231 126.800 7891097.0 999 131.800 94059.5 12 133.900 717822.5 91 135.100 193069.5 24 141.100 366337.0 46 142.000 267327.0 34 146.000 39604.0 5 146.600 44554.5 6 164.000 1198021.0 152 178.300 455446.0 58 185.800 64356.5 8 188.200 470297.5 60 204.000 490099.5 62 218.800 133663.5 17 223.000 59406.0 8 223.900 79208.0 10 224.200 292079.5 37 228.400 39604.0 5 231.800 138614.0 18 232.700 14851.5 2 244.000 94059.5 12 245.400 371287.5 47 246.200 460396.5 58 262.100 133663.5 17 268.100 54455.5 7 289.300 712872.0 90 306.300 5470302.5 693 //