MassBank Record: JP000696



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

ACCESSION: JP000696
RECORD_TITLE: 4'-BROMO-6-CARBOXYFLAVONOL; 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$NAME: 4'-BROMO-6-CARBOXYFLAVONOL CH$NAME: 2-(4-BROMOPHENYL)-3-HYDROXY-4-OXO-4H-CHROMEN-6-CARBOXYLIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H9BrO5 CH$EXACT_MASS: 359.96334 CH$SMILES: OC(=O)c(c3)cc(C(=O)1)c(c3)OC(c(c2)ccc(Br)c2)=C(O)1 CH$IUPAC: InChI=1S/C16H9BrO5/c17-10-4-1-8(2-5-10)15-14(19)13(18)11-7-9(16(20)21)3-6-12(11)22-15/h1-7,19H,(H,20,21)
AC$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: splash10-0imi-9712000000-236ce605f4287e68885d PK$NUM_PEAK: 87 PK$PEAK: m/z int. rel.int. 32 37.3 373 38 15.7 157 39 30.9 309 41 0.96 10 43 11.6 116 44 39.8 398 45 34.5 345 50 8.59 86 51 55.4 554 52 10.8 108 53 36.9 369 55 0.8 8 57 8.8 88 61 8 80 62 46.2 462 63 8.67 87 64 14.9 149 65 18.1 181 66 7.6 76 69 5.3 53 74 46.6 466 75 99.99 999 75.5 6.4 64 76 9.68 97 77 52.6 526 79 10.4 104 80 16.5 165 81 1.29 13 82 15.7 157 86 14.1 141 87 18.5 185 88 3.57 36 89 81.5 815 90 13.3 133 91 16.5 165 92 1.12 11 100 6.8 68 102 10 100 103 23.7 237 104 6.99 70 104.5 8.4 84 105 43 430 117 8.8 88 117.5 1.04 10 118 8.8 88 119 37.8 378 120 13.7 137 121 0.72 7 126 6.8 68 131 15.3 153 131.5 13.7 137 132 9.76 98 132.5 15.3 153 136 10 100 140.5 33.7 337 141 1.08 11 148 8.4 84 149 31.3 313 150 15.3 153 151 2.49 25 152 68.7 687 153 15.3 153 155 45 450 157 4.3 43 165 26.5 265 167 14.5 145 169 18.5 185 179 1.2 12 180 13.7 137 181 16.1 161 183 26.5 265 185 2.53 25 196 24.5 245 197 8.8 88 198 20.5 205 207 1.08 11 208 13.3 133 225 31.7 317 252 11.2 112 253 3.09 31 281 24.1 241 282 6.4 64 359 32.9 329 360 9.16 92 361 48.6 486 362 90 900 363 16.1 161 //