MassBank Record: JP000695



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

ACCESSION: JP000695
RECORD_TITLE: 6-CARBOXY-4'-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$NAME: 6-CARBOXY-4'-IODOFLAVONOL CH$NAME: 3-HYDROXY-2-(4-IODOPHENYL)-4-OXO-4H-CHROMEN-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)ccc(I)c1 CH$IUPAC: InChI=1S/C16H9IO5/c17-10-4-1-8(2-5-10)15-14(19)13(18)11-7-9(16(20)21)3-6-12(11)22-15/h1-7,19H,(H,20,21)
AC$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: splash10-0fsi-8962000000-70b5221b16d3c87ba190 PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 32 4.1 41 39 9.7 97 44 6.7 67 45 0.46 5 50 12.8 128 51 20.5 205 52 7.9 79 53 0.97 10 62 7.4 74 63 23.3 233 64 4.1 41 69 1.31 13 74 8.7 87 75 11.3 113 76 15.9 159 77 4.85 49 78 5.9 59 81 5.4 54 89 5.9 59 90 0.46 5 91 10.3 103 101 4.4 44 102 31.3 313 103 4.62 46 104 7.9 79 119 21.5 215 127 10.3 103 128 1.44 14 130 12.3 123 136 13.6 136 147 4.6 46 149 1.38 14 164 21.5 215 165 29.2 292 190 7.2 72 191 3.85 39 217 14.6 146 230 99.99 999 231 10.3 103 267 2.1 21 268 5.4 54 377 6.7 67 393 31.3 313 394 7.44 74 395 12.8 128 408 4.9 49 //