MassBank Record: JP000670



 6-CARBOXY-3'-IODOFLAVONOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000670
RECORD_TITLE: 6-CARBOXY-3'-IODOFLAVONOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 6-CARBOXY-3'-IODOFLAVONOL CH$NAME: 3-HYDROXY-2-(3-IODOPHENYL)-4-OXO-4H-CHROMENE-6-CARBOXYLIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H9IO5 CH$EXACT_MASS: 407.94947 CH$SMILES: OC(=O)c(c3)cc(C(=O)2)c(c3)OC(=C(O)2)c(c1)cc(I)cc1 CH$IUPAC: InChI=1S/C16H9IO5/c17-10-3-1-2-8(6-10)15-14(19)13(18)11-7-9(16(20)21)4-5-12(11)22-15/h1-7,19H,(H,20,21)
AC$INSTRUMENT: JEOL JMS-06-H AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0api-9520400000-4f0b8b1eb1a307c5b294 PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 31 3.7 37 32 39.4 394 38 3 30 39 1.11 11 41 6.1 61 43 4.3 43 44 9.1 91 45 0.76 8 50 18 180 51 17 170 53 6.9 69 55 0.44 4 57 6.3 63 62 13 130 63 24.1 241 64 0.52 5 65 6.1 61 69 50 500 74 13.7 137 75 1.63 16 76 34.8 348 77 26.1 261 81 3.3 33 87 0.57 6 88 9.6 96 89 13.9 139 91 5.7 57 100 0.3 3 102 5.2 52 103 11.9 119 104 19.1 191 105 1.26 13 117 3.1 31 119 21.5 215 120 4.6 46 127 1.63 16 128 19.6 196 131 10.7 107 132 15.2 152 136 0.7 7 149 26.7 267 150 4.8 48 151 7.6 76 152 1.41 14 153 3.1 31 164 10.7 107 165 12.2 122 169 0.48 5 179 3.5 35 181 8.7 87 191 10 100 203 0.69 7 225 6.9 69 230 8.7 87 231 5.4 54 252 0.35 4 253 8.3 83 281 37.6 376 282 11.1 111 394 0.76 8 407 30.2 302 408 99.99 999 409 17 170 //